USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 719 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Set 3.1: A 12 ASN : amide:sc=-0.00267 K(o=0.15,f=-1.1) USER MOD Set 3.2: A 43 ASN : amide:sc= 0.153 K(o=0.15,f=-2.2) USER MOD Single : A 3 GLN : amide:sc= -0.75 K(o=-0.75,f=-1.7) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.038 (180deg=-0.308) USER MOD Single : A 7 GLN : amide:sc= -0.0507 K(o=-0.051,f=-2.7!) USER MOD Single : A 8 LYS NZ :NH3+ 178:sc= 3.26 (180deg=3.23) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.00084) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.689 K(o=0.69,f=-0.13) USER MOD Single : A 32 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 34 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.022) USER MOD Single : A 36 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 37 ASN : amide:sc= -0.0892 X(o=-0.089,f=-0.27) USER MOD Single : A 41 TYR OH : rot 149:sc= 1.27 USER MOD Single : A 42 SER OG : rot 64:sc= 1.18 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.094 X(o=-0.094,f=-0.16) USER MOD Single : A 59 GLN : amide:sc= -0.755 X(o=-0.75,f=-1.2) USER MOD Single : A 60 MET CE :methyl -161:sc= 0 (180deg=-0.0639) USER MOD Single : A 61 CYS SG : rot 70:sc= 0.218 USER MOD Single : A 62 GLN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00747 F(o=-1.3!,f=-0.0075) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -80:sc= 1.02 USER MOD Single : A 69 SER OG : rot 61:sc= 1.22 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.43) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0115 K(o=-0.011,f=-0.73) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.646 10.188 -10.923 1.00 0.00 N ATOM 31 CA GLN A 3 17.047 10.166 -9.517 1.00 0.00 C ATOM 32 C GLN A 3 15.815 10.161 -8.590 1.00 0.00 C ATOM 33 O GLN A 3 15.691 9.309 -7.710 1.00 0.00 O ATOM 34 CB GLN A 3 17.934 11.394 -9.227 1.00 0.00 C ATOM 35 CG GLN A 3 19.197 11.540 -10.105 1.00 0.00 C ATOM 36 CD GLN A 3 18.956 12.014 -11.544 1.00 0.00 C ATOM 37 OE1 GLN A 3 17.895 12.507 -11.914 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.919 11.874 -12.429 1.00 0.00 N ATOM 0 HA GLN A 3 17.610 9.253 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.327 12.292 -9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.244 11.355 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.875 12.242 -9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.706 10.577 -10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.812 11.467 -12.151 1.00 0.00 H new ATOM 0 HE22 GLN A 3 19.773 12.172 -13.393 1.00 0.00 H new ATOM 47 N PHE A 4 14.850 11.054 -8.843 1.00 0.00 N ATOM 48 CA PHE A 4 13.588 11.134 -8.097 1.00 0.00 C ATOM 49 C PHE A 4 12.599 10.005 -8.449 1.00 0.00 C ATOM 50 O PHE A 4 11.697 9.709 -7.661 1.00 0.00 O ATOM 51 CB PHE A 4 13.012 12.562 -8.213 1.00 0.00 C ATOM 52 CG PHE A 4 11.519 12.684 -8.426 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.980 12.529 -9.716 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.674 13.002 -7.350 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.606 12.719 -9.934 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.299 13.184 -7.563 1.00 0.00 C ATOM 57 CZ PHE A 4 8.766 13.055 -8.858 1.00 0.00 C ATOM 0 H PHE A 4 14.925 11.752 -9.583 1.00 0.00 H new ATOM 0 HA PHE A 4 13.790 10.954 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.270 13.107 -7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.515 13.064 -9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.625 12.263 -10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.084 13.107 -6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.195 12.607 -10.927 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.651 13.423 -6.733 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.711 13.214 -9.026 1.00 0.00 H new ATOM 67 N GLU A 5 12.779 9.308 -9.576 1.00 0.00 N ATOM 68 CA GLU A 5 12.091 8.042 -9.853 1.00 0.00 C ATOM 69 C GLU A 5 12.658 6.893 -9.009 1.00 0.00 C ATOM 70 O GLU A 5 11.880 6.187 -8.372 1.00 0.00 O ATOM 71 CB GLU A 5 12.131 7.710 -11.354 1.00 0.00 C ATOM 72 CG GLU A 5 11.479 8.747 -12.288 1.00 0.00 C ATOM 73 CD GLU A 5 9.941 8.764 -12.262 1.00 0.00 C ATOM 74 OE1 GLU A 5 9.317 8.955 -13.337 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.337 8.625 -11.173 1.00 0.00 O ATOM 0 H GLU A 5 13.407 9.606 -10.323 1.00 0.00 H new ATOM 0 HA GLU A 5 11.047 8.165 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.172 7.585 -11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.638 6.750 -11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.844 9.738 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.809 8.553 -13.309 1.00 0.00 H new ATOM 83 N LYS A 6 13.983 6.733 -8.882 1.00 0.00 N ATOM 84 CA LYS A 6 14.531 5.654 -8.037 1.00 0.00 C ATOM 85 C LYS A 6 14.394 5.914 -6.535 1.00 0.00 C ATOM 86 O LYS A 6 14.314 4.951 -5.773 1.00 0.00 O ATOM 87 CB LYS A 6 15.934 5.218 -8.492 1.00 0.00 C ATOM 88 CG LYS A 6 17.123 6.146 -8.192 1.00 0.00 C ATOM 89 CD LYS A 6 17.559 6.180 -6.714 1.00 0.00 C ATOM 90 CE LYS A 6 19.027 6.586 -6.542 1.00 0.00 C ATOM 91 NZ LYS A 6 19.939 5.541 -7.064 1.00 0.00 N ATOM 0 H LYS A 6 14.682 7.318 -9.339 1.00 0.00 H new ATOM 0 HA LYS A 6 13.895 4.784 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.145 4.251 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.899 5.061 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.972 5.833 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.864 7.158 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.926 6.880 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 6 17.403 5.197 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.210 7.525 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.237 6.761 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.884 5.665 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.570 4.602 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.004 5.622 -8.099 1.00 0.00 H new ATOM 105 N GLN A 7 14.316 7.176 -6.091 1.00 0.00 N ATOM 106 CA GLN A 7 14.192 7.508 -4.664 1.00 0.00 C ATOM 107 C GLN A 7 12.776 7.255 -4.099 1.00 0.00 C ATOM 108 O GLN A 7 12.643 6.947 -2.915 1.00 0.00 O ATOM 109 CB GLN A 7 14.750 8.920 -4.383 1.00 0.00 C ATOM 110 CG GLN A 7 13.700 10.027 -4.223 1.00 0.00 C ATOM 111 CD GLN A 7 14.316 11.417 -4.080 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.197 12.267 -4.953 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.977 11.740 -2.994 1.00 0.00 N ATOM 0 H GLN A 7 14.337 7.990 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 7 14.816 6.812 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.351 8.880 -3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.421 9.195 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.035 10.017 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.087 9.815 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.095 11.056 -2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.373 12.675 -2.897 1.00 0.00 H new ATOM 122 N LYS A 8 11.716 7.305 -4.925 1.00 0.00 N ATOM 123 CA LYS A 8 10.368 6.868 -4.496 1.00 0.00 C ATOM 124 C LYS A 8 10.301 5.354 -4.296 1.00 0.00 C ATOM 125 O LYS A 8 9.747 4.899 -3.296 1.00 0.00 O ATOM 126 CB LYS A 8 9.249 7.402 -5.410 1.00 0.00 C ATOM 127 CG LYS A 8 9.397 7.107 -6.904 1.00 0.00 C ATOM 128 CD LYS A 8 8.199 7.568 -7.746 1.00 0.00 C ATOM 129 CE LYS A 8 7.992 9.087 -7.837 1.00 0.00 C ATOM 130 NZ LYS A 8 9.019 9.751 -8.677 1.00 0.00 N ATOM 0 H LYS A 8 11.762 7.640 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 8 10.186 7.320 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.301 6.984 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.186 8.482 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.299 7.595 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.535 6.035 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.316 7.175 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.295 7.121 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.003 9.292 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.015 9.514 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.815 10.769 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.958 9.609 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.004 9.341 -9.633 1.00 0.00 H new ATOM 144 N GLU A 9 10.956 4.586 -5.169 1.00 0.00 N ATOM 145 CA GLU A 9 11.147 3.147 -4.943 1.00 0.00 C ATOM 146 C GLU A 9 12.011 2.881 -3.701 1.00 0.00 C ATOM 147 O GLU A 9 11.701 1.987 -2.917 1.00 0.00 O ATOM 148 CB GLU A 9 11.793 2.457 -6.151 1.00 0.00 C ATOM 149 CG GLU A 9 11.207 2.829 -7.515 1.00 0.00 C ATOM 150 CD GLU A 9 11.555 1.741 -8.544 1.00 0.00 C ATOM 151 OE1 GLU A 9 12.763 1.499 -8.794 1.00 0.00 O ATOM 152 OE2 GLU A 9 10.647 1.080 -9.102 1.00 0.00 O ATOM 0 H GLU A 9 11.363 4.933 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 9 10.151 2.731 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.857 2.693 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.707 1.378 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.125 2.938 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.602 3.791 -7.841 1.00 0.00 H new ATOM 160 N GLN A 10 13.053 3.692 -3.476 1.00 0.00 N ATOM 161 CA GLN A 10 13.941 3.577 -2.317 1.00 0.00 C ATOM 162 C GLN A 10 13.168 3.726 -1.000 1.00 0.00 C ATOM 163 O GLN A 10 13.362 2.920 -0.096 1.00 0.00 O ATOM 164 CB GLN A 10 15.068 4.618 -2.414 1.00 0.00 C ATOM 165 CG GLN A 10 16.216 4.323 -1.442 1.00 0.00 C ATOM 166 CD GLN A 10 17.255 5.437 -1.380 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.228 6.427 -2.103 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.231 5.305 -0.516 1.00 0.00 N ATOM 0 H GLN A 10 13.304 4.456 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 10 14.382 2.580 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.454 4.639 -3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.664 5.609 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.806 4.162 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.705 3.395 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.267 4.487 0.092 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.955 6.020 -0.451 1.00 0.00 H new ATOM 177 N GLY A 11 12.238 4.685 -0.903 1.00 0.00 N ATOM 178 CA GLY A 11 11.348 4.820 0.255 1.00 0.00 C ATOM 179 C GLY A 11 10.553 3.537 0.527 1.00 0.00 C ATOM 180 O GLY A 11 10.676 2.950 1.602 1.00 0.00 O ATOM 0 H GLY A 11 12.082 5.388 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.937 5.074 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.656 5.645 0.085 1.00 0.00 H new ATOM 184 N ASN A 12 9.804 3.046 -0.468 1.00 0.00 N ATOM 185 CA ASN A 12 9.046 1.787 -0.382 1.00 0.00 C ATOM 186 C ASN A 12 9.953 0.593 0.015 1.00 0.00 C ATOM 187 O ASN A 12 9.592 -0.211 0.879 1.00 0.00 O ATOM 188 CB ASN A 12 8.369 1.533 -1.747 1.00 0.00 C ATOM 189 CG ASN A 12 7.298 2.540 -2.153 1.00 0.00 C ATOM 190 OD1 ASN A 12 6.805 3.337 -1.366 1.00 0.00 O ATOM 191 ND2 ASN A 12 6.882 2.492 -3.397 1.00 0.00 N ATOM 0 H ASN A 12 9.705 3.516 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 12 8.292 1.877 0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.140 1.520 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.920 0.540 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.144 3.121 -3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.297 1.825 -4.048 1.00 0.00 H new ATOM 198 N SER A 13 11.148 0.509 -0.575 1.00 0.00 N ATOM 199 CA SER A 13 12.143 -0.549 -0.360 1.00 0.00 C ATOM 200 C SER A 13 12.776 -0.516 1.036 1.00 0.00 C ATOM 201 O SER A 13 12.982 -1.566 1.653 1.00 0.00 O ATOM 202 CB SER A 13 13.228 -0.419 -1.437 1.00 0.00 C ATOM 203 OG SER A 13 14.174 -1.464 -1.323 1.00 0.00 O ATOM 0 H SER A 13 11.464 1.208 -1.247 1.00 0.00 H new ATOM 0 HA SER A 13 11.630 -1.508 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.770 -0.443 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.729 0.544 -1.341 1.00 0.00 H new ATOM 0 HG SER A 13 14.857 -1.365 -2.019 1.00 0.00 H new ATOM 209 N LEU A 14 13.060 0.668 1.587 1.00 0.00 N ATOM 210 CA LEU A 14 13.626 0.825 2.931 1.00 0.00 C ATOM 211 C LEU A 14 12.636 0.359 4.013 1.00 0.00 C ATOM 212 O LEU A 14 13.059 -0.297 4.967 1.00 0.00 O ATOM 213 CB LEU A 14 14.079 2.284 3.131 1.00 0.00 C ATOM 214 CG LEU A 14 15.381 2.676 2.404 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.544 4.198 2.446 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.617 2.064 3.063 1.00 0.00 C ATOM 0 H LEU A 14 12.902 1.554 1.107 1.00 0.00 H new ATOM 0 HA LEU A 14 14.503 0.185 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.281 2.944 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.210 2.463 4.198 1.00 0.00 H new ATOM 0 HG LEU A 14 15.303 2.303 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.464 4.480 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.694 4.669 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.591 4.530 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.509 2.368 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.688 2.410 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.536 0.977 3.049 1.00 0.00 H new ATOM 228 N PHE A 15 11.321 0.563 3.834 1.00 0.00 N ATOM 229 CA PHE A 15 10.305 -0.056 4.703 1.00 0.00 C ATOM 230 C PHE A 15 10.315 -1.596 4.609 1.00 0.00 C ATOM 231 O PHE A 15 10.237 -2.273 5.636 1.00 0.00 O ATOM 232 CB PHE A 15 8.900 0.472 4.368 1.00 0.00 C ATOM 233 CG PHE A 15 8.642 1.946 4.639 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.602 2.436 5.959 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.397 2.830 3.574 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.396 3.805 6.204 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.204 4.203 3.814 1.00 0.00 C ATOM 238 CZ PHE A 15 8.231 4.692 5.130 1.00 0.00 C ATOM 0 H PHE A 15 10.936 1.152 3.096 1.00 0.00 H new ATOM 0 HA PHE A 15 10.561 0.220 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.708 0.281 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.174 -0.110 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.730 1.756 6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.357 2.452 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.365 4.174 7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.036 4.879 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.125 5.751 5.315 1.00 0.00 H new ATOM 248 N LYS A 16 10.478 -2.170 3.403 1.00 0.00 N ATOM 249 CA LYS A 16 10.554 -3.636 3.204 1.00 0.00 C ATOM 250 C LYS A 16 11.805 -4.254 3.842 1.00 0.00 C ATOM 251 O LYS A 16 11.711 -5.355 4.384 1.00 0.00 O ATOM 252 CB LYS A 16 10.460 -4.000 1.707 1.00 0.00 C ATOM 253 CG LYS A 16 9.081 -4.499 1.236 1.00 0.00 C ATOM 254 CD LYS A 16 7.999 -3.417 1.108 1.00 0.00 C ATOM 255 CE LYS A 16 7.356 -2.987 2.433 1.00 0.00 C ATOM 256 NZ LYS A 16 6.319 -3.930 2.909 1.00 0.00 N ATOM 0 H LYS A 16 10.561 -1.635 2.538 1.00 0.00 H new ATOM 0 HA LYS A 16 9.694 -4.065 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.731 -3.123 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.200 -4.770 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.201 -4.986 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.730 -5.259 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.437 -2.540 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.217 -3.783 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.132 -2.895 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.912 -1.999 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.922 -3.586 3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.561 -4.000 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.744 -4.868 3.055 1.00 0.00 H new ATOM 270 N GLN A 17 12.930 -3.539 3.869 1.00 0.00 N ATOM 271 CA GLN A 17 14.161 -3.942 4.584 1.00 0.00 C ATOM 272 C GLN A 17 14.084 -3.721 6.109 1.00 0.00 C ATOM 273 O GLN A 17 14.699 -4.463 6.882 1.00 0.00 O ATOM 274 CB GLN A 17 15.355 -3.163 4.020 1.00 0.00 C ATOM 275 CG GLN A 17 15.768 -3.652 2.621 1.00 0.00 C ATOM 276 CD GLN A 17 16.579 -2.581 1.913 1.00 0.00 C ATOM 277 OE1 GLN A 17 17.797 -2.633 1.806 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.903 -1.560 1.445 1.00 0.00 N ATOM 0 H GLN A 17 13.022 -2.644 3.388 1.00 0.00 H new ATOM 0 HA GLN A 17 14.281 -5.014 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.104 -2.103 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.202 -3.259 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.354 -4.567 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.881 -3.894 2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.888 -1.532 1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.392 -0.793 0.983 1.00 0.00 H new ATOM 287 N GLY A 18 13.331 -2.706 6.542 1.00 0.00 N ATOM 288 CA GLY A 18 13.061 -2.385 7.953 1.00 0.00 C ATOM 289 C GLY A 18 13.751 -1.121 8.476 1.00 0.00 C ATOM 290 O GLY A 18 13.757 -0.864 9.679 1.00 0.00 O ATOM 0 H GLY A 18 12.874 -2.059 5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.985 -2.273 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.371 -3.230 8.567 1.00 0.00 H new ATOM 294 N LEU A 19 14.308 -0.302 7.583 1.00 0.00 N ATOM 295 CA LEU A 19 14.906 1.006 7.867 1.00 0.00 C ATOM 296 C LEU A 19 13.822 2.087 7.828 1.00 0.00 C ATOM 297 O LEU A 19 13.907 3.053 7.075 1.00 0.00 O ATOM 298 CB LEU A 19 16.090 1.235 6.906 1.00 0.00 C ATOM 299 CG LEU A 19 17.216 0.186 7.006 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.348 0.525 6.038 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.816 0.105 8.411 1.00 0.00 C ATOM 0 H LEU A 19 14.357 -0.543 6.593 1.00 0.00 H new ATOM 0 HA LEU A 19 15.322 1.051 8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.713 1.246 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.512 2.221 7.101 1.00 0.00 H new ATOM 0 HG LEU A 19 16.761 -0.773 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.135 -0.225 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.964 0.536 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.755 1.506 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.604 -0.648 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.234 1.074 8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.038 -0.169 9.124 1.00 0.00 H new ATOM 313 N TYR A 20 12.755 1.881 8.605 1.00 0.00 N ATOM 314 CA TYR A 20 11.513 2.655 8.534 1.00 0.00 C ATOM 315 C TYR A 20 11.716 4.169 8.745 1.00 0.00 C ATOM 316 O TYR A 20 11.043 4.968 8.095 1.00 0.00 O ATOM 317 CB TYR A 20 10.497 2.133 9.566 1.00 0.00 C ATOM 318 CG TYR A 20 10.433 0.628 9.813 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.816 -0.247 8.895 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.958 0.104 11.012 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.731 -1.629 9.169 1.00 0.00 C ATOM 322 CE2 TYR A 20 10.887 -1.275 11.285 1.00 0.00 C ATOM 323 CZ TYR A 20 10.275 -2.150 10.363 1.00 0.00 C ATOM 324 OH TYR A 20 10.220 -3.487 10.618 1.00 0.00 O ATOM 0 H TYR A 20 12.731 1.153 9.319 1.00 0.00 H new ATOM 0 HA TYR A 20 11.135 2.519 7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.709 2.619 10.518 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.506 2.462 9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.405 0.143 7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 20 11.419 0.768 11.728 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.249 -2.289 8.464 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.302 -1.664 12.203 1.00 0.00 H new ATOM 0 HH TYR A 20 10.642 -3.673 11.483 1.00 0.00 H new ATOM 334 N ARG A 21 12.637 4.596 9.622 1.00 0.00 N ATOM 335 CA ARG A 21 12.901 6.029 9.872 1.00 0.00 C ATOM 336 C ARG A 21 13.707 6.661 8.740 1.00 0.00 C ATOM 337 O ARG A 21 13.405 7.780 8.331 1.00 0.00 O ATOM 338 CB ARG A 21 13.604 6.262 11.224 1.00 0.00 C ATOM 339 CG ARG A 21 12.895 5.763 12.497 1.00 0.00 C ATOM 340 CD ARG A 21 11.358 5.742 12.433 1.00 0.00 C ATOM 341 NE ARG A 21 10.750 5.216 13.667 1.00 0.00 N ATOM 342 CZ ARG A 21 10.741 3.962 14.090 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.370 3.002 13.475 1.00 0.00 N ATOM 344 NH2 ARG A 21 10.089 3.640 15.165 1.00 0.00 N ATOM 0 H ARG A 21 13.218 3.967 10.176 1.00 0.00 H new ATOM 0 HA ARG A 21 11.927 6.518 9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.584 5.787 11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.774 7.333 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.246 4.755 12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.198 6.395 13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.991 6.752 12.253 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.041 5.132 11.587 1.00 0.00 H new ATOM 0 HE ARG A 21 10.282 5.897 14.265 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.900 3.201 12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.332 2.051 13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.581 4.354 15.687 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.084 2.673 15.488 1.00 0.00 H new ATOM 358 N GLU A 22 14.672 5.930 8.185 1.00 0.00 N ATOM 359 CA GLU A 22 15.400 6.358 6.982 1.00 0.00 C ATOM 360 C GLU A 22 14.492 6.345 5.732 1.00 0.00 C ATOM 361 O GLU A 22 14.608 7.221 4.872 1.00 0.00 O ATOM 362 CB GLU A 22 16.655 5.485 6.811 1.00 0.00 C ATOM 363 CG GLU A 22 17.891 6.016 7.565 1.00 0.00 C ATOM 364 CD GLU A 22 17.752 6.095 9.098 1.00 0.00 C ATOM 365 OE1 GLU A 22 17.675 5.035 9.768 1.00 0.00 O ATOM 366 OE2 GLU A 22 17.798 7.218 9.661 1.00 0.00 O ATOM 0 H GLU A 22 14.974 5.027 8.551 1.00 0.00 H new ATOM 0 HA GLU A 22 15.719 7.393 7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.434 4.476 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.893 5.411 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.742 5.377 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.125 7.011 7.187 1.00 0.00 H new ATOM 374 N ALA A 23 13.517 5.434 5.666 1.00 0.00 N ATOM 375 CA ALA A 23 12.482 5.415 4.631 1.00 0.00 C ATOM 376 C ALA A 23 11.578 6.664 4.672 1.00 0.00 C ATOM 377 O ALA A 23 11.274 7.245 3.629 1.00 0.00 O ATOM 378 CB ALA A 23 11.648 4.143 4.808 1.00 0.00 C ATOM 0 H ALA A 23 13.424 4.676 6.343 1.00 0.00 H new ATOM 0 HA ALA A 23 12.969 5.424 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.870 4.109 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.292 3.269 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.188 4.144 5.796 1.00 0.00 H new ATOM 384 N VAL A 24 11.194 7.117 5.875 1.00 0.00 N ATOM 385 CA VAL A 24 10.452 8.377 6.078 1.00 0.00 C ATOM 386 C VAL A 24 11.265 9.585 5.600 1.00 0.00 C ATOM 387 O VAL A 24 10.718 10.444 4.908 1.00 0.00 O ATOM 388 CB VAL A 24 9.999 8.525 7.546 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.476 9.927 7.882 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.871 7.534 7.865 1.00 0.00 C ATOM 0 H VAL A 24 11.390 6.618 6.743 1.00 0.00 H new ATOM 0 HA VAL A 24 9.550 8.340 5.466 1.00 0.00 H new ATOM 0 HB VAL A 24 10.890 8.328 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.175 9.962 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.263 10.661 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.618 10.157 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.565 7.653 8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.020 7.728 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.226 6.516 7.706 1.00 0.00 H new ATOM 400 N HIS A 25 12.577 9.635 5.862 1.00 0.00 N ATOM 401 CA HIS A 25 13.441 10.680 5.321 1.00 0.00 C ATOM 402 C HIS A 25 13.450 10.701 3.783 1.00 0.00 C ATOM 403 O HIS A 25 13.383 11.787 3.203 1.00 0.00 O ATOM 404 CB HIS A 25 14.849 10.511 5.900 1.00 0.00 C ATOM 405 CG HIS A 25 14.991 10.987 7.320 1.00 0.00 C ATOM 406 ND1 HIS A 25 14.812 12.279 7.757 1.00 0.00 N ATOM 407 CD2 HIS A 25 15.382 10.246 8.402 1.00 0.00 C ATOM 408 CE1 HIS A 25 15.064 12.313 9.072 1.00 0.00 C ATOM 409 NE2 HIS A 25 15.427 11.097 9.513 1.00 0.00 N ATOM 0 H HIS A 25 13.062 8.957 6.450 1.00 0.00 H new ATOM 0 HA HIS A 25 13.043 11.650 5.621 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.126 9.458 5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.556 11.055 5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.615 9.191 8.399 1.00 0.00 H new ATOM 0 HE1 HIS A 25 14.986 13.194 9.691 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.684 10.844 10.467 1.00 0.00 H new ATOM 418 N CYS A 26 13.429 9.543 3.107 1.00 0.00 N ATOM 419 CA CYS A 26 13.326 9.495 1.643 1.00 0.00 C ATOM 420 C CYS A 26 11.977 10.013 1.102 1.00 0.00 C ATOM 421 O CYS A 26 11.971 10.542 -0.009 1.00 0.00 O ATOM 422 CB CYS A 26 13.658 8.084 1.126 1.00 0.00 C ATOM 423 SG CYS A 26 15.451 7.815 1.130 1.00 0.00 S ATOM 0 H CYS A 26 13.482 8.627 3.552 1.00 0.00 H new ATOM 0 HA CYS A 26 14.070 10.188 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.170 7.336 1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.267 7.958 0.116 1.00 0.00 H new ATOM 0 HG CYS A 26 15.711 6.619 0.693 1.00 0.00 H new ATOM 429 N TYR A 27 10.862 9.959 1.853 1.00 0.00 N ATOM 430 CA TYR A 27 9.639 10.682 1.448 1.00 0.00 C ATOM 431 C TYR A 27 9.712 12.182 1.780 1.00 0.00 C ATOM 432 O TYR A 27 9.259 13.003 0.979 1.00 0.00 O ATOM 433 CB TYR A 27 8.333 9.984 1.899 1.00 0.00 C ATOM 434 CG TYR A 27 7.696 10.338 3.241 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.276 11.658 3.522 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.392 9.316 4.164 1.00 0.00 C ATOM 437 CE1 TYR A 27 6.672 11.971 4.753 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.719 9.615 5.367 1.00 0.00 C ATOM 439 CZ TYR A 27 6.389 10.950 5.677 1.00 0.00 C ATOM 440 OH TYR A 27 5.759 11.262 6.840 1.00 0.00 O ATOM 0 H TYR A 27 10.780 9.435 2.724 1.00 0.00 H new ATOM 0 HA TYR A 27 9.595 10.633 0.360 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.585 10.169 1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.526 8.911 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.420 12.434 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.677 8.297 3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.426 12.996 4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.457 8.821 6.051 1.00 0.00 H new ATOM 0 HH TYR A 27 5.633 10.449 7.372 1.00 0.00 H new ATOM 450 N ASP A 28 10.304 12.569 2.916 1.00 0.00 N ATOM 451 CA ASP A 28 10.417 13.977 3.328 1.00 0.00 C ATOM 452 C ASP A 28 11.259 14.802 2.342 1.00 0.00 C ATOM 453 O ASP A 28 10.965 15.981 2.132 1.00 0.00 O ATOM 454 CB ASP A 28 10.979 14.073 4.755 1.00 0.00 C ATOM 455 CG ASP A 28 10.933 15.501 5.321 1.00 0.00 C ATOM 456 OD1 ASP A 28 9.820 16.027 5.568 1.00 0.00 O ATOM 457 OD2 ASP A 28 12.005 16.112 5.571 1.00 0.00 O ATOM 0 H ASP A 28 10.720 11.914 3.579 1.00 0.00 H new ATOM 0 HA ASP A 28 9.415 14.405 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.412 13.410 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.010 13.719 4.759 1.00 0.00 H new ATOM 463 N GLN A 29 12.237 14.191 1.662 1.00 0.00 N ATOM 464 CA GLN A 29 12.966 14.870 0.584 1.00 0.00 C ATOM 465 C GLN A 29 12.060 15.163 -0.626 1.00 0.00 C ATOM 466 O GLN A 29 12.166 16.250 -1.187 1.00 0.00 O ATOM 467 CB GLN A 29 14.228 14.099 0.152 1.00 0.00 C ATOM 468 CG GLN A 29 15.256 13.758 1.250 1.00 0.00 C ATOM 469 CD GLN A 29 15.246 14.673 2.478 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.535 15.864 2.418 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.870 14.150 3.624 1.00 0.00 N ATOM 0 H GLN A 29 12.540 13.233 1.838 1.00 0.00 H new ATOM 0 HA GLN A 29 13.295 15.825 0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.911 13.167 -0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.735 14.684 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.080 12.735 1.581 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.253 13.783 0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.629 13.160 3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.819 14.734 4.459 1.00 0.00 H new ATOM 480 N LEU A 30 11.111 14.280 -0.980 1.00 0.00 N ATOM 481 CA LEU A 30 10.157 14.556 -2.075 1.00 0.00 C ATOM 482 C LEU A 30 9.260 15.756 -1.741 1.00 0.00 C ATOM 483 O LEU A 30 8.994 16.585 -2.607 1.00 0.00 O ATOM 484 CB LEU A 30 9.219 13.371 -2.387 1.00 0.00 C ATOM 485 CG LEU A 30 9.800 11.955 -2.447 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.665 10.929 -2.521 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.684 11.761 -3.673 1.00 0.00 C ATOM 0 H LEU A 30 10.982 13.374 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 30 10.785 14.754 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.430 13.370 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.744 13.572 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 30 10.398 11.814 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.085 9.924 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.033 11.021 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.068 11.111 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.078 10.745 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.096 11.929 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.511 12.470 -3.641 1.00 0.00 H new ATOM 499 N ILE A 31 8.785 15.844 -0.493 1.00 0.00 N ATOM 500 CA ILE A 31 7.886 16.919 -0.028 1.00 0.00 C ATOM 501 C ILE A 31 8.664 18.230 0.201 1.00 0.00 C ATOM 502 O ILE A 31 8.096 19.316 0.101 1.00 0.00 O ATOM 503 CB ILE A 31 7.076 16.453 1.212 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.307 15.144 0.893 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.088 17.545 1.671 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.446 14.588 2.035 1.00 0.00 C ATOM 0 H ILE A 31 9.014 15.166 0.234 1.00 0.00 H new ATOM 0 HA ILE A 31 7.156 17.138 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 31 7.781 16.265 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.665 15.322 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.029 14.381 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.534 17.192 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.640 18.448 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.391 17.768 0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.953 13.673 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.079 14.370 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.694 15.325 2.316 1.00 0.00 H new ATOM 518 N THR A 32 9.978 18.153 0.429 1.00 0.00 N ATOM 519 CA THR A 32 10.870 19.324 0.482 1.00 0.00 C ATOM 520 C THR A 32 11.216 19.835 -0.925 1.00 0.00 C ATOM 521 O THR A 32 11.202 21.043 -1.156 1.00 0.00 O ATOM 522 CB THR A 32 12.141 19.004 1.290 1.00 0.00 C ATOM 523 OG1 THR A 32 11.792 18.483 2.560 1.00 0.00 O ATOM 524 CG2 THR A 32 13.001 20.237 1.560 1.00 0.00 C ATOM 0 H THR A 32 10.462 17.268 0.584 1.00 0.00 H new ATOM 0 HA THR A 32 10.337 20.126 0.993 1.00 0.00 H new ATOM 0 HB THR A 32 12.702 18.291 0.686 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.631 17.519 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.882 19.948 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.313 20.678 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.423 20.967 2.127 1.00 0.00 H new ATOM 532 N ALA A 33 11.473 18.948 -1.893 1.00 0.00 N ATOM 533 CA ALA A 33 11.868 19.317 -3.257 1.00 0.00 C ATOM 534 C ALA A 33 10.684 19.631 -4.198 1.00 0.00 C ATOM 535 O ALA A 33 10.809 20.488 -5.081 1.00 0.00 O ATOM 536 CB ALA A 33 12.740 18.183 -3.805 1.00 0.00 C ATOM 0 H ALA A 33 11.412 17.940 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 33 12.423 20.254 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.053 18.423 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.620 18.063 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.168 17.255 -3.812 1.00 0.00 H new ATOM 542 N GLN A 34 9.530 18.982 -4.002 1.00 0.00 N ATOM 543 CA GLN A 34 8.289 19.168 -4.768 1.00 0.00 C ATOM 544 C GLN A 34 7.059 19.391 -3.841 1.00 0.00 C ATOM 545 O GLN A 34 6.160 18.545 -3.806 1.00 0.00 O ATOM 546 CB GLN A 34 8.080 17.973 -5.721 1.00 0.00 C ATOM 547 CG GLN A 34 9.158 17.688 -6.786 1.00 0.00 C ATOM 548 CD GLN A 34 10.381 16.909 -6.306 1.00 0.00 C ATOM 549 OE1 GLN A 34 11.507 17.214 -6.680 1.00 0.00 O ATOM 550 NE2 GLN A 34 10.207 15.858 -5.528 1.00 0.00 N ATOM 0 H GLN A 34 9.430 18.279 -3.270 1.00 0.00 H new ATOM 0 HA GLN A 34 8.387 20.075 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.971 17.077 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.133 18.123 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.696 17.134 -7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.496 18.639 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.270 15.604 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.010 15.300 -5.238 1.00 0.00 H new ATOM 559 N PRO A 35 6.966 20.508 -3.081 1.00 0.00 N ATOM 560 CA PRO A 35 5.944 20.692 -2.034 1.00 0.00 C ATOM 561 C PRO A 35 4.475 20.642 -2.480 1.00 0.00 C ATOM 562 O PRO A 35 3.598 20.320 -1.674 1.00 0.00 O ATOM 563 CB PRO A 35 6.226 22.074 -1.434 1.00 0.00 C ATOM 564 CG PRO A 35 7.718 22.279 -1.675 1.00 0.00 C ATOM 565 CD PRO A 35 7.911 21.620 -3.037 1.00 0.00 C ATOM 0 HA PRO A 35 6.034 19.851 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.632 22.849 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.985 22.105 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.988 23.335 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.325 21.806 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.720 22.327 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.935 21.267 -3.159 1.00 0.00 H new ATOM 573 N GLN A 36 4.189 20.979 -3.739 1.00 0.00 N ATOM 574 CA GLN A 36 2.844 21.104 -4.299 1.00 0.00 C ATOM 575 C GLN A 36 2.495 19.930 -5.245 1.00 0.00 C ATOM 576 O GLN A 36 1.449 19.929 -5.894 1.00 0.00 O ATOM 577 CB GLN A 36 2.762 22.493 -4.963 1.00 0.00 C ATOM 578 CG GLN A 36 1.343 22.985 -5.276 1.00 0.00 C ATOM 579 CD GLN A 36 0.442 23.054 -4.051 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.778 23.609 -3.010 1.00 0.00 O ATOM 581 NE2 GLN A 36 -0.725 22.465 -4.115 1.00 0.00 N ATOM 0 H GLN A 36 4.918 21.180 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 36 2.085 21.037 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.245 23.219 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.334 22.469 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.402 23.974 -5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.891 22.321 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.015 22.000 -4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.344 22.471 -3.305 1.00 0.00 H new ATOM 590 N ASN A 37 3.367 18.921 -5.342 1.00 0.00 N ATOM 591 CA ASN A 37 3.150 17.736 -6.169 1.00 0.00 C ATOM 592 C ASN A 37 2.376 16.643 -5.413 1.00 0.00 C ATOM 593 O ASN A 37 2.731 16.322 -4.275 1.00 0.00 O ATOM 594 CB ASN A 37 4.502 17.190 -6.641 1.00 0.00 C ATOM 595 CG ASN A 37 4.954 17.822 -7.934 1.00 0.00 C ATOM 596 OD1 ASN A 37 5.423 18.950 -7.971 1.00 0.00 O ATOM 597 ND2 ASN A 37 4.794 17.110 -9.017 1.00 0.00 N ATOM 0 H ASN A 37 4.255 18.907 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 37 2.546 18.029 -7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.252 17.368 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.430 16.110 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.063 17.493 -9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.400 16.171 -8.957 1.00 0.00 H new ATOM 604 N PRO A 38 1.398 15.969 -6.047 1.00 0.00 N ATOM 605 CA PRO A 38 0.679 14.864 -5.416 1.00 0.00 C ATOM 606 C PRO A 38 1.565 13.654 -5.074 1.00 0.00 C ATOM 607 O PRO A 38 1.217 12.870 -4.189 1.00 0.00 O ATOM 608 CB PRO A 38 -0.405 14.477 -6.418 1.00 0.00 C ATOM 609 CG PRO A 38 0.163 14.898 -7.770 1.00 0.00 C ATOM 610 CD PRO A 38 0.904 16.182 -7.405 1.00 0.00 C ATOM 0 HA PRO A 38 0.281 15.180 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.610 13.407 -6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.344 14.987 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.831 14.144 -8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.621 15.073 -8.507 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.725 16.373 -8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.241 17.046 -7.451 1.00 0.00 H new ATOM 618 N VAL A 39 2.709 13.491 -5.747 1.00 0.00 N ATOM 619 CA VAL A 39 3.613 12.335 -5.609 1.00 0.00 C ATOM 620 C VAL A 39 4.121 12.116 -4.176 1.00 0.00 C ATOM 621 O VAL A 39 4.122 10.986 -3.689 1.00 0.00 O ATOM 622 CB VAL A 39 4.777 12.476 -6.614 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.828 13.521 -6.215 1.00 0.00 C ATOM 624 CG2 VAL A 39 5.482 11.143 -6.858 1.00 0.00 C ATOM 0 H VAL A 39 3.045 14.177 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 39 3.037 11.439 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 39 4.298 12.821 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.610 13.558 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.355 14.500 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.266 13.248 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.294 11.286 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.886 10.768 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.769 10.423 -7.260 1.00 0.00 H new ATOM 634 N GLY A 40 4.495 13.176 -3.452 1.00 0.00 N ATOM 635 CA GLY A 40 5.020 13.034 -2.088 1.00 0.00 C ATOM 636 C GLY A 40 3.925 12.689 -1.082 1.00 0.00 C ATOM 637 O GLY A 40 4.110 11.793 -0.265 1.00 0.00 O ATOM 0 H GLY A 40 4.445 14.139 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.783 12.256 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.506 13.963 -1.789 1.00 0.00 H new ATOM 641 N TYR A 41 2.743 13.300 -1.200 1.00 0.00 N ATOM 642 CA TYR A 41 1.569 12.954 -0.386 1.00 0.00 C ATOM 643 C TYR A 41 1.085 11.519 -0.663 1.00 0.00 C ATOM 644 O TYR A 41 0.761 10.783 0.268 1.00 0.00 O ATOM 645 CB TYR A 41 0.466 13.993 -0.635 1.00 0.00 C ATOM 646 CG TYR A 41 0.918 15.408 -0.320 1.00 0.00 C ATOM 647 CD1 TYR A 41 1.198 15.778 1.012 1.00 0.00 C ATOM 648 CD2 TYR A 41 1.143 16.328 -1.363 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.735 17.050 1.293 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.681 17.599 -1.084 1.00 0.00 C ATOM 651 CZ TYR A 41 1.984 17.962 0.245 1.00 0.00 C ATOM 652 OH TYR A 41 2.523 19.182 0.521 1.00 0.00 O ATOM 0 H TYR A 41 2.570 14.053 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 41 1.844 12.978 0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.150 13.940 -1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.403 13.748 -0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.001 15.086 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.902 16.057 -2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.957 17.328 2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.862 18.297 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 41 3.071 19.476 -0.236 1.00 0.00 H new ATOM 662 N SER A 42 1.150 11.075 -1.924 1.00 0.00 N ATOM 663 CA SER A 42 0.878 9.684 -2.321 1.00 0.00 C ATOM 664 C SER A 42 1.811 8.682 -1.637 1.00 0.00 C ATOM 665 O SER A 42 1.406 7.547 -1.375 1.00 0.00 O ATOM 666 CB SER A 42 1.016 9.506 -3.839 1.00 0.00 C ATOM 667 OG SER A 42 0.163 10.392 -4.532 1.00 0.00 O ATOM 0 H SER A 42 1.396 11.678 -2.709 1.00 0.00 H new ATOM 0 HA SER A 42 -0.146 9.482 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.049 9.683 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.777 8.478 -4.111 1.00 0.00 H new ATOM 0 HG SER A 42 0.432 11.316 -4.348 1.00 0.00 H new ATOM 673 N ASN A 43 3.043 9.084 -1.315 1.00 0.00 N ATOM 674 CA ASN A 43 4.053 8.209 -0.720 1.00 0.00 C ATOM 675 C ASN A 43 4.266 8.416 0.790 1.00 0.00 C ATOM 676 O ASN A 43 4.685 7.475 1.458 1.00 0.00 O ATOM 677 CB ASN A 43 5.299 8.203 -1.621 1.00 0.00 C ATOM 678 CG ASN A 43 5.024 7.268 -2.794 1.00 0.00 C ATOM 679 OD1 ASN A 43 4.198 7.560 -3.643 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.554 6.067 -2.808 1.00 0.00 N ATOM 0 H ASN A 43 3.370 10.039 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 43 3.689 7.182 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.517 9.210 -1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.173 7.867 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.274 5.394 -3.522 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.246 5.807 -2.105 1.00 0.00 H new ATOM 687 N LYS A 44 3.803 9.532 1.368 1.00 0.00 N ATOM 688 CA LYS A 44 3.475 9.630 2.802 1.00 0.00 C ATOM 689 C LYS A 44 2.281 8.729 3.147 1.00 0.00 C ATOM 690 O LYS A 44 2.362 7.950 4.092 1.00 0.00 O ATOM 691 CB LYS A 44 3.272 11.109 3.185 1.00 0.00 C ATOM 692 CG LYS A 44 2.955 11.301 4.680 1.00 0.00 C ATOM 693 CD LYS A 44 3.066 12.777 5.101 1.00 0.00 C ATOM 694 CE LYS A 44 2.747 12.939 6.593 1.00 0.00 C ATOM 695 NZ LYS A 44 2.974 14.326 7.067 1.00 0.00 N ATOM 0 H LYS A 44 3.644 10.398 0.854 1.00 0.00 H new ATOM 0 HA LYS A 44 4.304 9.260 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.171 11.671 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.459 11.525 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.948 10.938 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.640 10.700 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.072 13.144 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.379 13.382 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.709 12.661 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.366 12.253 7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.746 14.388 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.971 14.584 6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.365 14.979 6.534 1.00 0.00 H new ATOM 709 N ALA A 45 1.230 8.705 2.318 1.00 0.00 N ATOM 710 CA ALA A 45 0.142 7.728 2.446 1.00 0.00 C ATOM 711 C ALA A 45 0.634 6.267 2.313 1.00 0.00 C ATOM 712 O ALA A 45 0.224 5.406 3.093 1.00 0.00 O ATOM 713 CB ALA A 45 -0.946 8.067 1.420 1.00 0.00 C ATOM 0 H ALA A 45 1.110 9.358 1.544 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.275 7.797 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.762 7.349 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.326 9.071 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.525 8.023 0.415 1.00 0.00 H new ATOM 719 N MET A 46 1.563 5.997 1.384 1.00 0.00 N ATOM 720 CA MET A 46 2.212 4.683 1.238 1.00 0.00 C ATOM 721 C MET A 46 3.023 4.291 2.483 1.00 0.00 C ATOM 722 O MET A 46 2.904 3.163 2.957 1.00 0.00 O ATOM 723 CB MET A 46 3.121 4.687 -0.001 1.00 0.00 C ATOM 724 CG MET A 46 3.559 3.304 -0.473 1.00 0.00 C ATOM 725 SD MET A 46 2.206 2.221 -0.999 1.00 0.00 S ATOM 726 CE MET A 46 3.088 1.323 -2.299 1.00 0.00 C ATOM 0 H MET A 46 1.888 6.688 0.708 1.00 0.00 H new ATOM 0 HA MET A 46 1.424 3.940 1.118 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.598 5.186 -0.817 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.009 5.280 0.218 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.256 3.422 -1.303 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.105 2.815 0.334 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.419 0.595 -2.756 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.432 2.026 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.945 0.807 -1.867 1.00 0.00 H new ATOM 736 N ALA A 47 3.799 5.225 3.042 1.00 0.00 N ATOM 737 CA ALA A 47 4.558 5.031 4.275 1.00 0.00 C ATOM 738 C ALA A 47 3.649 4.672 5.457 1.00 0.00 C ATOM 739 O ALA A 47 3.918 3.700 6.156 1.00 0.00 O ATOM 740 CB ALA A 47 5.358 6.308 4.560 1.00 0.00 C ATOM 0 H ALA A 47 3.917 6.155 2.639 1.00 0.00 H new ATOM 0 HA ALA A 47 5.238 4.189 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.931 6.181 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.039 6.504 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.673 7.149 4.673 1.00 0.00 H new ATOM 746 N LEU A 48 2.533 5.387 5.638 1.00 0.00 N ATOM 747 CA LEU A 48 1.577 5.136 6.725 1.00 0.00 C ATOM 748 C LEU A 48 0.993 3.712 6.674 1.00 0.00 C ATOM 749 O LEU A 48 0.889 3.070 7.718 1.00 0.00 O ATOM 750 CB LEU A 48 0.470 6.208 6.677 1.00 0.00 C ATOM 751 CG LEU A 48 0.948 7.625 7.053 1.00 0.00 C ATOM 752 CD1 LEU A 48 -0.076 8.662 6.598 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.147 7.781 8.558 1.00 0.00 C ATOM 0 H LEU A 48 2.265 6.162 5.031 1.00 0.00 H new ATOM 0 HA LEU A 48 2.105 5.205 7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.047 6.234 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.333 5.916 7.353 1.00 0.00 H new ATOM 0 HG LEU A 48 1.904 7.780 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.271 9.659 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.199 8.601 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.032 8.467 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.484 8.794 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.204 7.593 9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.896 7.067 8.902 1.00 0.00 H new ATOM 765 N ILE A 49 0.693 3.158 5.491 1.00 0.00 N ATOM 766 CA ILE A 49 0.266 1.745 5.377 1.00 0.00 C ATOM 767 C ILE A 49 1.440 0.753 5.481 1.00 0.00 C ATOM 768 O ILE A 49 1.264 -0.351 6.001 1.00 0.00 O ATOM 769 CB ILE A 49 -0.642 1.497 4.151 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.044 1.742 2.792 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.891 2.378 4.276 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.846 1.499 1.563 1.00 0.00 C ATOM 0 H ILE A 49 0.736 3.657 4.602 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.356 1.543 6.249 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.900 0.438 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.404 2.770 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.919 1.096 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.541 2.212 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.427 2.122 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.595 3.426 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.275 1.697 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.186 0.463 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.709 2.164 1.601 1.00 0.00 H new ATOM 784 N LYS A 50 2.661 1.154 5.094 1.00 0.00 N ATOM 785 CA LYS A 50 3.905 0.385 5.309 1.00 0.00 C ATOM 786 C LYS A 50 4.398 0.369 6.776 1.00 0.00 C ATOM 787 O LYS A 50 5.255 -0.456 7.093 1.00 0.00 O ATOM 788 CB LYS A 50 5.010 0.872 4.335 1.00 0.00 C ATOM 789 CG LYS A 50 5.418 -0.158 3.260 1.00 0.00 C ATOM 790 CD LYS A 50 4.726 -0.045 1.892 1.00 0.00 C ATOM 791 CE LYS A 50 3.211 -0.221 1.945 1.00 0.00 C ATOM 792 NZ LYS A 50 2.800 -1.595 2.334 1.00 0.00 N ATOM 0 H LYS A 50 2.818 2.039 4.613 1.00 0.00 H new ATOM 0 HA LYS A 50 3.666 -0.655 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.664 1.779 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.893 1.143 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.494 -0.078 3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.227 -1.155 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.953 0.930 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.145 -0.795 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.792 0.492 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.789 0.016 0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.762 -1.655 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.173 -2.278 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.177 -1.816 3.278 1.00 0.00 H new ATOM 806 N LEU A 51 3.847 1.224 7.652 1.00 0.00 N ATOM 807 CA LEU A 51 4.159 1.342 9.092 1.00 0.00 C ATOM 808 C LEU A 51 2.976 1.051 10.041 1.00 0.00 C ATOM 809 O LEU A 51 3.165 1.032 11.261 1.00 0.00 O ATOM 810 CB LEU A 51 4.730 2.753 9.373 1.00 0.00 C ATOM 811 CG LEU A 51 6.262 2.819 9.476 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.700 4.282 9.547 1.00 0.00 C ATOM 813 CD2 LEU A 51 6.769 2.122 10.744 1.00 0.00 C ATOM 0 H LEU A 51 3.131 1.890 7.362 1.00 0.00 H new ATOM 0 HA LEU A 51 4.893 0.566 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.404 3.426 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.301 3.125 10.303 1.00 0.00 H new ATOM 0 HG LEU A 51 6.675 2.320 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.786 4.333 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.372 4.804 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.255 4.753 10.423 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.856 2.187 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.343 2.608 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.469 1.074 10.728 1.00 0.00 H new ATOM 825 N GLY A 52 1.763 0.841 9.526 1.00 0.00 N ATOM 826 CA GLY A 52 0.584 0.508 10.335 1.00 0.00 C ATOM 827 C GLY A 52 -0.099 1.699 11.021 1.00 0.00 C ATOM 828 O GLY A 52 -0.418 1.637 12.208 1.00 0.00 O ATOM 0 H GLY A 52 1.567 0.897 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.146 0.011 9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.880 -0.210 11.100 1.00 0.00 H new ATOM 832 N GLU A 53 -0.304 2.798 10.294 1.00 0.00 N ATOM 833 CA GLU A 53 -1.133 3.952 10.689 1.00 0.00 C ATOM 834 C GLU A 53 -2.304 4.126 9.701 1.00 0.00 C ATOM 835 O GLU A 53 -2.528 5.195 9.127 1.00 0.00 O ATOM 836 CB GLU A 53 -0.280 5.224 10.859 1.00 0.00 C ATOM 837 CG GLU A 53 1.037 5.038 11.627 1.00 0.00 C ATOM 838 CD GLU A 53 1.504 6.339 12.292 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.513 6.941 11.848 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.919 6.735 13.336 1.00 0.00 O ATOM 0 H GLU A 53 0.118 2.920 9.374 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.570 3.761 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.051 5.622 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.878 5.976 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.907 4.268 12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.808 4.683 10.943 1.00 0.00 H new ATOM 848 N TYR A 54 -3.020 3.026 9.435 1.00 0.00 N ATOM 849 CA TYR A 54 -4.002 2.916 8.349 1.00 0.00 C ATOM 850 C TYR A 54 -5.132 3.962 8.451 1.00 0.00 C ATOM 851 O TYR A 54 -5.550 4.508 7.429 1.00 0.00 O ATOM 852 CB TYR A 54 -4.579 1.485 8.310 1.00 0.00 C ATOM 853 CG TYR A 54 -3.589 0.345 8.535 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.853 -0.216 7.471 1.00 0.00 C ATOM 855 CD2 TYR A 54 -3.446 -0.191 9.829 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.985 -1.306 7.701 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.591 -1.282 10.064 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.865 -1.853 8.999 1.00 0.00 C ATOM 859 OH TYR A 54 -1.044 -2.911 9.252 1.00 0.00 O ATOM 0 H TYR A 54 -2.931 2.169 9.981 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.479 3.125 7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.361 1.412 9.066 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.057 1.336 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.954 0.190 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.999 0.241 10.650 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.413 -1.722 6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.490 -1.683 11.062 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.095 -3.144 10.202 1.00 0.00 H new ATOM 869 N THR A 55 -5.562 4.319 9.667 1.00 0.00 N ATOM 870 CA THR A 55 -6.583 5.357 9.926 1.00 0.00 C ATOM 871 C THR A 55 -6.119 6.753 9.506 1.00 0.00 C ATOM 872 O THR A 55 -6.922 7.572 9.045 1.00 0.00 O ATOM 873 CB THR A 55 -6.968 5.348 11.413 1.00 0.00 C ATOM 874 OG1 THR A 55 -7.471 4.069 11.713 1.00 0.00 O ATOM 875 CG2 THR A 55 -8.055 6.359 11.775 1.00 0.00 C ATOM 0 H THR A 55 -5.206 3.889 10.521 1.00 0.00 H new ATOM 0 HA THR A 55 -7.455 5.117 9.318 1.00 0.00 H new ATOM 0 HB THR A 55 -6.074 5.612 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.725 4.031 12.659 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.273 6.293 12.841 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.710 7.365 11.537 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.959 6.141 11.206 1.00 0.00 H new ATOM 883 N GLN A 56 -4.811 7.016 9.592 1.00 0.00 N ATOM 884 CA GLN A 56 -4.214 8.273 9.125 1.00 0.00 C ATOM 885 C GLN A 56 -3.986 8.242 7.607 1.00 0.00 C ATOM 886 O GLN A 56 -4.078 9.271 6.932 1.00 0.00 O ATOM 887 CB GLN A 56 -2.901 8.581 9.851 1.00 0.00 C ATOM 888 CG GLN A 56 -2.784 8.027 11.273 1.00 0.00 C ATOM 889 CD GLN A 56 -3.889 8.378 12.257 1.00 0.00 C ATOM 890 OE1 GLN A 56 -4.650 9.332 12.121 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.990 7.593 13.300 1.00 0.00 N ATOM 0 H GLN A 56 -4.135 6.363 9.988 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.921 9.070 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.077 8.185 9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.774 9.663 9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.725 6.941 11.207 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.839 8.372 11.692 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.355 6.802 13.407 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.704 7.772 14.006 1.00 0.00 H new ATOM 900 N ALA A 57 -3.715 7.057 7.049 1.00 0.00 N ATOM 901 CA ALA A 57 -3.521 6.877 5.617 1.00 0.00 C ATOM 902 C ALA A 57 -4.807 7.164 4.832 1.00 0.00 C ATOM 903 O ALA A 57 -4.756 7.897 3.848 1.00 0.00 O ATOM 904 CB ALA A 57 -3.007 5.463 5.340 1.00 0.00 C ATOM 0 H ALA A 57 -3.625 6.195 7.586 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.776 7.596 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.863 5.332 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.058 5.314 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.734 4.735 5.700 1.00 0.00 H new ATOM 910 N ILE A 58 -5.967 6.662 5.279 1.00 0.00 N ATOM 911 CA ILE A 58 -7.252 6.900 4.589 1.00 0.00 C ATOM 912 C ILE A 58 -7.665 8.382 4.578 1.00 0.00 C ATOM 913 O ILE A 58 -8.274 8.831 3.606 1.00 0.00 O ATOM 914 CB ILE A 58 -8.381 5.996 5.134 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.671 6.229 6.631 1.00 0.00 C ATOM 916 CG2 ILE A 58 -8.044 4.521 4.847 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.871 5.440 7.172 1.00 0.00 C ATOM 0 H ILE A 58 -6.046 6.086 6.117 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.086 6.622 3.548 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.300 6.264 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.785 5.961 7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.847 7.292 6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.841 3.884 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.948 4.372 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.104 4.261 5.334 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.005 5.662 8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.770 5.725 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.692 4.372 7.045 1.00 0.00 H new ATOM 929 N GLN A 59 -7.270 9.161 5.594 1.00 0.00 N ATOM 930 CA GLN A 59 -7.390 10.626 5.587 1.00 0.00 C ATOM 931 C GLN A 59 -6.520 11.240 4.478 1.00 0.00 C ATOM 932 O GLN A 59 -7.022 12.002 3.651 1.00 0.00 O ATOM 933 CB GLN A 59 -7.074 11.176 6.988 1.00 0.00 C ATOM 934 CG GLN A 59 -7.088 12.714 7.103 1.00 0.00 C ATOM 935 CD GLN A 59 -5.799 13.397 6.634 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.687 12.916 6.824 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.889 14.548 6.014 1.00 0.00 N ATOM 0 H GLN A 59 -6.856 8.791 6.449 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.415 10.914 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.797 10.767 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.092 10.813 7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.923 13.102 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.271 12.987 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.804 14.966 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.044 15.026 5.700 1.00 0.00 H new ATOM 946 N MET A 60 -5.241 10.855 4.387 1.00 0.00 N ATOM 947 CA MET A 60 -4.340 11.403 3.367 1.00 0.00 C ATOM 948 C MET A 60 -4.683 10.941 1.938 1.00 0.00 C ATOM 949 O MET A 60 -4.444 11.682 0.987 1.00 0.00 O ATOM 950 CB MET A 60 -2.876 11.136 3.742 1.00 0.00 C ATOM 951 CG MET A 60 -1.935 11.962 2.854 1.00 0.00 C ATOM 952 SD MET A 60 -0.284 12.253 3.538 1.00 0.00 S ATOM 953 CE MET A 60 -0.690 13.494 4.804 1.00 0.00 C ATOM 0 H MET A 60 -4.808 10.169 5.005 1.00 0.00 H new ATOM 0 HA MET A 60 -4.489 12.483 3.352 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.711 11.387 4.790 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.653 10.075 3.630 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.829 11.455 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.403 12.926 2.655 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.214 14.031 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.419 14.198 4.403 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.109 12.997 5.679 1.00 0.00 H new ATOM 963 N CYS A 61 -5.318 9.776 1.772 1.00 0.00 N ATOM 964 CA CYS A 61 -5.868 9.331 0.485 1.00 0.00 C ATOM 965 C CYS A 61 -6.934 10.316 -0.040 1.00 0.00 C ATOM 966 O CYS A 61 -6.857 10.752 -1.186 1.00 0.00 O ATOM 967 CB CYS A 61 -6.377 7.890 0.596 1.00 0.00 C ATOM 968 SG CYS A 61 -5.015 6.762 0.989 1.00 0.00 S ATOM 0 H CYS A 61 -5.466 9.111 2.531 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.073 9.330 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.143 7.828 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.845 7.591 -0.342 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.617 6.971 2.209 1.00 0.00 H new ATOM 974 N GLN A 62 -7.858 10.756 0.823 1.00 0.00 N ATOM 975 CA GLN A 62 -8.883 11.759 0.491 1.00 0.00 C ATOM 976 C GLN A 62 -8.293 13.168 0.323 1.00 0.00 C ATOM 977 O GLN A 62 -8.625 13.853 -0.644 1.00 0.00 O ATOM 978 CB GLN A 62 -9.982 11.723 1.570 1.00 0.00 C ATOM 979 CG GLN A 62 -10.809 10.426 1.514 1.00 0.00 C ATOM 980 CD GLN A 62 -11.621 10.196 2.784 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.757 10.631 2.925 1.00 0.00 O ATOM 982 NE2 GLN A 62 -11.073 9.514 3.762 1.00 0.00 N ATOM 0 H GLN A 62 -7.917 10.422 1.785 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.318 11.508 -0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.525 11.818 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.644 12.580 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.483 10.465 0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.141 9.579 1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.128 9.145 3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.593 9.353 4.625 1.00 0.00 H new ATOM 991 N GLN A 63 -7.342 13.577 1.171 1.00 0.00 N ATOM 992 CA GLN A 63 -6.594 14.826 0.968 1.00 0.00 C ATOM 993 C GLN A 63 -5.846 14.831 -0.378 1.00 0.00 C ATOM 994 O GLN A 63 -5.719 15.882 -0.999 1.00 0.00 O ATOM 995 CB GLN A 63 -5.646 15.045 2.161 1.00 0.00 C ATOM 996 CG GLN A 63 -4.763 16.309 2.079 1.00 0.00 C ATOM 997 CD GLN A 63 -3.311 15.984 1.715 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.023 15.717 0.460 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.424 15.926 2.561 1.00 0.00 N flip ATOM 0 H GLN A 63 -7.071 13.060 2.007 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.295 15.659 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.242 15.096 3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.997 14.174 2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.177 16.991 1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.787 16.829 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.636 16.131 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.474 15.673 2.288 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.345 13.690 -0.860 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.654 13.596 -2.150 1.00 0.00 C ATOM 1010 C GLY A 64 -5.572 13.582 -3.378 1.00 0.00 C ATOM 1011 O GLY A 64 -5.127 13.991 -4.452 1.00 0.00 O ATOM 0 H GLY A 64 -5.407 12.801 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.966 14.437 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.050 12.689 -2.156 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.863 13.248 -3.245 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.844 13.489 -4.321 1.00 0.00 C ATOM 1017 C LEU A 65 -7.923 14.983 -4.676 1.00 0.00 C ATOM 1018 O LEU A 65 -8.011 15.328 -5.855 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.235 12.942 -3.949 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.336 11.409 -3.842 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.771 11.028 -3.479 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.975 10.691 -5.146 1.00 0.00 C ATOM 0 H LEU A 65 -7.254 12.813 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.499 12.949 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.534 13.376 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.953 13.285 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.623 11.099 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.851 9.944 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.037 11.481 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.450 11.387 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.066 9.614 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.652 11.012 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.950 10.936 -5.424 1.00 0.00 H new ATOM 1034 N ARG A 66 -7.775 15.870 -3.681 1.00 0.00 N ATOM 1035 CA ARG A 66 -7.738 17.344 -3.855 1.00 0.00 C ATOM 1036 C ARG A 66 -6.448 17.894 -4.496 1.00 0.00 C ATOM 1037 O ARG A 66 -6.349 19.097 -4.752 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.039 18.051 -2.519 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.311 17.529 -1.831 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.599 18.307 -0.547 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.670 17.660 0.232 1.00 0.00 N ATOM 1042 CZ ARG A 66 -10.694 17.483 1.540 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -9.859 18.068 2.349 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -11.575 16.692 2.079 1.00 0.00 N ATOM 0 H ARG A 66 -7.675 15.584 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.522 17.570 -4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.191 17.921 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.143 19.121 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.158 17.616 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.195 16.470 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.693 18.370 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.889 19.328 -0.793 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.474 17.314 -0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.145 18.696 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.918 17.899 3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.251 16.205 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.590 16.558 3.090 1.00 0.00 H new ATOM 1058 N TYR A 67 -5.469 17.032 -4.788 1.00 0.00 N ATOM 1059 CA TYR A 67 -4.296 17.339 -5.624 1.00 0.00 C ATOM 1060 C TYR A 67 -4.378 16.696 -7.024 1.00 0.00 C ATOM 1061 O TYR A 67 -3.471 16.900 -7.834 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.000 16.902 -4.916 1.00 0.00 C ATOM 1063 CG TYR A 67 -2.581 17.739 -3.723 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.222 17.562 -2.486 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -1.537 18.678 -3.849 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -2.867 18.372 -1.387 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -1.147 19.453 -2.742 1.00 0.00 C ATOM 1068 CZ TYR A 67 -1.824 19.316 -1.510 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.474 20.088 -0.447 1.00 0.00 O ATOM 0 H TYR A 67 -5.467 16.073 -4.441 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.286 18.420 -5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.119 15.870 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.190 16.912 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.986 16.807 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.036 18.802 -4.797 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.394 18.270 -0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.330 20.153 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.738 20.683 -0.703 1.00 0.00 H new ATOM 1079 N THR A 68 -5.400 15.872 -7.300 1.00 0.00 N ATOM 1080 CA THR A 68 -5.389 14.923 -8.431 1.00 0.00 C ATOM 1081 C THR A 68 -6.690 14.817 -9.234 1.00 0.00 C ATOM 1082 O THR A 68 -6.735 14.075 -10.214 1.00 0.00 O ATOM 1083 CB THR A 68 -4.949 13.518 -7.985 1.00 0.00 C ATOM 1084 OG1 THR A 68 -5.784 13.007 -6.976 1.00 0.00 O ATOM 1085 CG2 THR A 68 -3.538 13.487 -7.410 1.00 0.00 C ATOM 0 H THR A 68 -6.257 15.842 -6.748 1.00 0.00 H new ATOM 0 HA THR A 68 -4.658 15.358 -9.113 1.00 0.00 H new ATOM 0 HB THR A 68 -5.001 12.920 -8.895 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.525 13.391 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.288 12.468 -7.114 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.830 13.830 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.485 14.141 -6.539 1.00 0.00 H new ATOM 1093 N SER A 69 -7.737 15.578 -8.899 1.00 0.00 N ATOM 1094 CA SER A 69 -9.029 15.561 -9.609 1.00 0.00 C ATOM 1095 C SER A 69 -9.000 16.435 -10.876 1.00 0.00 C ATOM 1096 O SER A 69 -9.799 17.364 -11.033 1.00 0.00 O ATOM 1097 CB SER A 69 -10.174 15.936 -8.659 1.00 0.00 C ATOM 1098 OG SER A 69 -10.165 15.113 -7.501 1.00 0.00 O ATOM 0 H SER A 69 -7.715 16.233 -8.117 1.00 0.00 H new ATOM 0 HA SER A 69 -9.213 14.543 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.081 16.982 -8.367 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.128 15.833 -9.175 1.00 0.00 H new ATOM 0 HG SER A 69 -9.323 15.240 -7.016 1.00 0.00 H new ATOM 1104 N THR A 70 -8.034 16.188 -11.766 1.00 0.00 N ATOM 1105 CA THR A 70 -7.776 16.961 -12.994 1.00 0.00 C ATOM 1106 C THR A 70 -6.998 16.141 -14.033 1.00 0.00 C ATOM 1107 O THR A 70 -6.194 15.279 -13.672 1.00 0.00 O ATOM 1108 CB THR A 70 -7.038 18.273 -12.661 1.00 0.00 C ATOM 1109 OG1 THR A 70 -6.672 18.988 -13.822 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.764 18.073 -11.845 1.00 0.00 C ATOM 0 H THR A 70 -7.381 15.413 -11.650 1.00 0.00 H new ATOM 0 HA THR A 70 -8.741 17.208 -13.437 1.00 0.00 H new ATOM 0 HB THR A 70 -7.762 18.832 -12.069 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.209 19.813 -13.566 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.301 19.040 -11.650 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.010 17.591 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.070 17.444 -12.403 1.00 0.00 H new ATOM 1118 N ALA A 71 -7.195 16.442 -15.323 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.588 15.758 -16.477 1.00 0.00 C ATOM 1120 C ALA A 71 -5.058 15.531 -16.383 1.00 0.00 C ATOM 1121 O ALA A 71 -4.538 14.530 -16.881 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.927 16.577 -17.727 1.00 0.00 C ATOM 0 H ALA A 71 -7.810 17.205 -15.606 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.006 14.752 -16.511 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.492 16.099 -18.604 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.009 16.633 -17.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.521 17.583 -17.624 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.333 16.433 -15.713 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.870 16.400 -15.549 1.00 0.00 C ATOM 1130 C GLU A 72 -2.353 15.493 -14.407 1.00 0.00 C ATOM 1131 O GLU A 72 -1.141 15.419 -14.186 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.353 17.850 -15.463 1.00 0.00 C ATOM 1133 CG GLU A 72 -2.798 18.662 -14.239 1.00 0.00 C ATOM 1134 CD GLU A 72 -2.685 20.168 -14.512 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -3.733 20.831 -14.721 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -1.544 20.689 -14.581 1.00 0.00 O ATOM 0 H GLU A 72 -4.761 17.236 -15.252 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.452 15.914 -16.430 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.263 17.826 -15.479 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.673 18.381 -16.360 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.828 18.410 -13.985 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.184 18.397 -13.378 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.256 14.801 -13.697 1.00 0.00 N ATOM 1145 CA HIS A 73 -2.980 13.961 -12.520 1.00 0.00 C ATOM 1146 C HIS A 73 -3.897 12.709 -12.419 1.00 0.00 C ATOM 1147 O HIS A 73 -3.989 12.097 -11.352 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.091 14.841 -11.265 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.084 15.967 -11.146 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -0.712 15.852 -11.136 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -2.364 17.296 -10.983 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.190 17.078 -10.954 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.163 18.000 -10.853 1.00 0.00 N ATOM 0 H HIS A 73 -4.247 14.812 -13.939 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.971 13.559 -12.617 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.092 15.272 -11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.994 14.201 -10.388 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.352 17.731 -10.959 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.867 17.293 -10.897 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.049 19.004 -10.711 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.567 12.286 -13.504 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.605 11.220 -13.498 1.00 0.00 C ATOM 1164 C VAL A 74 -5.115 9.819 -13.114 1.00 0.00 C ATOM 1165 O VAL A 74 -5.903 9.008 -12.624 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.329 11.110 -14.857 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -6.927 12.452 -15.256 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -5.437 10.629 -16.012 1.00 0.00 C ATOM 0 H VAL A 74 -4.405 12.678 -14.432 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.284 11.553 -12.713 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.102 10.357 -14.700 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.433 12.354 -16.216 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.644 12.770 -14.499 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.133 13.194 -15.338 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.024 10.580 -16.929 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.610 11.326 -16.147 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.043 9.639 -15.780 1.00 0.00 H new ATOM 1178 N ALA A 75 -3.830 9.532 -13.328 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.158 8.290 -12.937 1.00 0.00 C ATOM 1180 C ALA A 75 -2.472 8.417 -11.565 1.00 0.00 C ATOM 1181 O ALA A 75 -2.254 7.412 -10.886 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.169 7.896 -14.040 1.00 0.00 C ATOM 0 H ALA A 75 -3.203 10.185 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.900 7.500 -12.825 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.662 6.972 -13.761 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.708 7.746 -14.975 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.433 8.689 -14.169 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.197 9.643 -11.101 1.00 0.00 N ATOM 1189 CA ILE A 76 -1.888 9.874 -9.684 1.00 0.00 C ATOM 1190 C ILE A 76 -3.158 9.682 -8.839 1.00 0.00 C ATOM 1191 O ILE A 76 -3.094 9.069 -7.778 1.00 0.00 O ATOM 1192 CB ILE A 76 -1.283 11.266 -9.411 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -0.242 11.808 -10.417 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -0.671 11.217 -8.003 1.00 0.00 C ATOM 1195 CD1 ILE A 76 1.206 11.346 -10.213 1.00 0.00 C ATOM 0 H ILE A 76 -2.182 10.483 -11.680 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.129 9.143 -9.403 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.106 11.973 -9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.555 11.520 -11.421 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.262 12.897 -10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.229 12.184 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.449 10.985 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.100 10.447 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.841 11.792 -10.978 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.552 11.658 -9.228 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.255 10.260 -10.288 1.00 0.00 H new ATOM 1207 N ARG A 77 -4.332 10.112 -9.331 1.00 0.00 N ATOM 1208 CA ARG A 77 -5.639 9.858 -8.693 1.00 0.00 C ATOM 1209 C ARG A 77 -5.828 8.359 -8.424 1.00 0.00 C ATOM 1210 O ARG A 77 -6.169 7.986 -7.306 1.00 0.00 O ATOM 1211 CB ARG A 77 -6.765 10.459 -9.561 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.075 10.670 -8.783 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.153 11.333 -9.657 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.428 11.497 -8.928 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.461 12.247 -9.280 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.489 12.968 -10.361 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -12.526 12.269 -8.536 1.00 0.00 N ATOM 0 H ARG A 77 -4.403 10.652 -10.193 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.678 10.351 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.432 11.414 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.954 9.800 -10.408 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.441 9.710 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.883 11.291 -7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.799 12.307 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.320 10.729 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.523 10.975 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.686 12.975 -10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.314 13.526 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.564 11.710 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.324 12.846 -8.804 1.00 0.00 H new ATOM 1231 N SER A 78 -5.471 7.505 -9.392 1.00 0.00 N ATOM 1232 CA SER A 78 -5.400 6.042 -9.260 1.00 0.00 C ATOM 1233 C SER A 78 -4.465 5.563 -8.145 1.00 0.00 C ATOM 1234 O SER A 78 -4.866 4.675 -7.392 1.00 0.00 O ATOM 1235 CB SER A 78 -4.992 5.426 -10.603 1.00 0.00 C ATOM 1236 OG SER A 78 -5.870 5.871 -11.623 1.00 0.00 O ATOM 0 H SER A 78 -5.213 7.826 -10.325 1.00 0.00 H new ATOM 0 HA SER A 78 -6.396 5.705 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.967 5.706 -10.845 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.018 4.338 -10.537 1.00 0.00 H new ATOM 0 HG SER A 78 -5.604 5.476 -12.479 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.288 6.180 -7.934 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.481 5.895 -6.733 1.00 0.00 C ATOM 1244 C LYS A 79 -3.264 6.159 -5.449 1.00 0.00 C ATOM 1245 O LYS A 79 -3.263 5.283 -4.591 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.134 6.639 -6.705 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.182 6.186 -7.816 1.00 0.00 C ATOM 1248 CD LYS A 79 1.222 6.760 -7.572 1.00 0.00 C ATOM 1249 CE LYS A 79 2.198 6.436 -8.702 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.482 4.984 -8.832 1.00 0.00 N ATOM 0 H LYS A 79 -2.880 6.868 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.250 4.831 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.314 7.710 -6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.657 6.481 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.138 5.097 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.556 6.518 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.152 7.842 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.614 6.364 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.790 6.805 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.133 6.968 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.149 4.830 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.899 4.631 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.597 4.473 -9.026 1.00 0.00 H new ATOM 1264 N LEU A 80 -3.958 7.295 -5.309 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.710 7.601 -4.079 1.00 0.00 C ATOM 1266 C LEU A 80 -5.944 6.695 -3.879 1.00 0.00 C ATOM 1267 O LEU A 80 -6.207 6.322 -2.736 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.051 9.105 -3.945 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.893 10.090 -3.679 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.900 9.620 -2.615 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.112 10.434 -4.943 1.00 0.00 C ATOM 0 H LEU A 80 -4.016 8.017 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.033 7.366 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.551 9.417 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.773 9.213 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.400 10.978 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.119 10.370 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.421 9.478 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.451 8.677 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.310 11.130 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.686 9.524 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.781 10.894 -5.670 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.635 6.245 -4.939 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.665 5.195 -4.794 1.00 0.00 C ATOM 1285 C GLN A 81 -7.048 3.891 -4.279 1.00 0.00 C ATOM 1286 O GLN A 81 -7.543 3.289 -3.320 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.370 4.829 -6.110 1.00 0.00 C ATOM 1288 CG GLN A 81 -8.904 5.947 -6.986 1.00 0.00 C ATOM 1289 CD GLN A 81 -9.877 6.924 -6.350 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -10.400 6.784 -5.249 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.168 7.949 -7.105 1.00 0.00 N ATOM 0 H GLN A 81 -6.505 6.583 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.387 5.622 -4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.670 4.246 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.205 4.173 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.054 6.515 -7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.394 5.495 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.725 8.052 -8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.838 8.647 -6.782 1.00 0.00 H new ATOM 1300 N TYR A 82 -5.968 3.442 -4.923 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.371 2.140 -4.604 1.00 0.00 C ATOM 1302 C TYR A 82 -4.649 2.134 -3.245 1.00 0.00 C ATOM 1303 O TYR A 82 -4.729 1.133 -2.528 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.576 1.564 -5.791 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.109 1.252 -5.574 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -2.734 0.201 -4.717 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.130 1.958 -6.294 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.379 -0.123 -4.528 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -0.768 1.638 -6.115 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.388 0.602 -5.228 1.00 0.00 C ATOM 1311 OH TYR A 82 0.929 0.327 -5.050 1.00 0.00 O ATOM 0 H TYR A 82 -5.491 3.956 -5.664 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.182 1.426 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.070 0.646 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.649 2.271 -6.618 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.495 -0.363 -4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.419 2.741 -6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.098 -0.919 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.011 2.186 -6.657 1.00 0.00 H new ATOM 0 HH TYR A 82 1.467 0.923 -5.612 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.072 3.268 -2.805 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.631 3.460 -1.409 1.00 0.00 C ATOM 1323 C ARG A 83 -4.764 3.143 -0.431 1.00 0.00 C ATOM 1324 O ARG A 83 -4.525 2.460 0.555 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.192 4.906 -1.110 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.922 5.505 -1.721 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.814 4.497 -2.056 1.00 0.00 C ATOM 1328 NE ARG A 83 0.384 5.187 -2.571 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.164 4.832 -3.577 1.00 0.00 C ATOM 1330 NH1 ARG A 83 0.972 3.784 -4.318 1.00 0.00 N ATOM 1331 NH2 ARG A 83 2.202 5.540 -3.892 1.00 0.00 N ATOM 0 H ARG A 83 -3.898 4.075 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.784 2.785 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.019 5.554 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.090 4.988 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.194 6.037 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.520 6.244 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.555 3.925 -1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.176 3.785 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 83 0.643 6.048 -2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.176 3.172 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.617 3.572 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.425 6.382 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.796 5.255 -4.671 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.985 3.605 -0.709 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.154 3.395 0.149 1.00 0.00 C ATOM 1347 C LEU A 84 -7.623 1.925 0.135 1.00 0.00 C ATOM 1348 O LEU A 84 -7.926 1.362 1.186 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.250 4.405 -0.267 1.00 0.00 C ATOM 1350 CG LEU A 84 -8.835 5.193 0.919 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.640 6.404 0.448 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.758 4.346 1.771 1.00 0.00 C ATOM 0 H LEU A 84 -6.193 4.144 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.895 3.584 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.832 5.106 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.055 3.870 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.974 5.510 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.037 6.935 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.994 7.071 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.464 6.070 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.145 4.946 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.588 3.987 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.206 3.495 2.170 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.578 1.260 -1.024 1.00 0.00 N ATOM 1365 CA GLU A 85 -7.915 -0.158 -1.190 1.00 0.00 C ATOM 1366 C GLU A 85 -6.929 -1.084 -0.454 1.00 0.00 C ATOM 1367 O GLU A 85 -7.356 -2.088 0.118 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.006 -0.413 -2.708 1.00 0.00 C ATOM 1369 CG GLU A 85 -8.032 -1.871 -3.157 1.00 0.00 C ATOM 1370 CD GLU A 85 -8.280 -1.992 -4.672 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -7.348 -2.331 -5.444 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -9.429 -1.736 -5.114 1.00 0.00 O ATOM 0 H GLU A 85 -7.298 1.706 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.872 -0.394 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.907 0.074 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.157 0.075 -3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.085 -2.348 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.813 -2.405 -2.616 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.643 -0.719 -0.379 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.628 -1.447 0.400 1.00 0.00 C ATOM 1382 C LEU A 86 -4.431 -0.918 1.834 1.00 0.00 C ATOM 1383 O LEU A 86 -3.848 -1.629 2.651 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.307 -1.540 -0.390 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.166 -2.777 -1.303 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.175 -4.100 -0.526 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.254 -2.876 -2.369 1.00 0.00 C ATOM 0 H LEU A 86 -5.272 0.099 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.011 -2.457 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.206 -0.644 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.479 -1.536 0.319 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.198 -2.626 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.073 -4.932 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.344 -4.113 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.115 -4.196 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.091 -3.769 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.230 -2.936 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.218 -1.994 -3.008 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.967 0.250 2.196 1.00 0.00 N ATOM 1400 CA ALA A 87 -5.093 0.685 3.590 1.00 0.00 C ATOM 1401 C ALA A 87 -6.154 -0.153 4.311 1.00 0.00 C ATOM 1402 O ALA A 87 -5.862 -0.808 5.312 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.439 2.182 3.650 1.00 0.00 C ATOM 0 H ALA A 87 -5.329 0.927 1.524 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.139 0.536 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.530 2.493 4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.649 2.758 3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.383 2.358 3.135 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.364 -0.205 3.744 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.456 -1.043 4.253 1.00 0.00 C ATOM 1411 C GLN A 88 -8.165 -2.543 4.017 1.00 0.00 C ATOM 1412 O GLN A 88 -8.654 -3.399 4.757 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.789 -0.575 3.637 1.00 0.00 C ATOM 1414 CG GLN A 88 -10.028 0.945 3.795 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.400 1.385 3.298 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.268 1.804 4.055 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -11.648 1.338 2.010 1.00 0.00 N ATOM 0 H GLN A 88 -7.615 0.335 2.916 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.537 -0.928 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.803 -0.831 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.610 -1.117 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.923 1.217 4.845 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.258 1.488 3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.937 0.992 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.552 1.647 1.653 1.00 0.00 H new ATOM 1426 N GLY A 89 -7.291 -2.835 3.044 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.692 -4.138 2.751 1.00 0.00 C ATOM 1428 C GLY A 89 -5.737 -4.654 3.833 1.00 0.00 C ATOM 1429 O GLY A 89 -5.976 -5.715 4.407 1.00 0.00 O ATOM 0 H GLY A 89 -6.964 -2.116 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.490 -4.867 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.150 -4.071 1.807 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.654 -3.931 4.126 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.611 -4.377 5.060 1.00 0.00 C ATOM 1435 C ALA A 90 -4.051 -4.326 6.541 1.00 0.00 C ATOM 1436 O ALA A 90 -3.508 -5.063 7.370 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.335 -3.568 4.788 1.00 0.00 C ATOM 0 H ALA A 90 -4.472 -3.013 3.720 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.411 -5.434 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.549 -3.886 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.010 -3.735 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.538 -2.507 4.936 1.00 0.00 H new ATOM 1443 N VAL A 91 -5.081 -3.531 6.873 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.708 -3.547 8.213 1.00 0.00 C ATOM 1445 C VAL A 91 -6.653 -4.747 8.423 1.00 0.00 C ATOM 1446 O VAL A 91 -7.012 -5.042 9.568 1.00 0.00 O ATOM 1447 CB VAL A 91 -6.375 -2.190 8.526 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.743 -2.031 7.862 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.531 -1.934 10.029 1.00 0.00 C ATOM 0 H VAL A 91 -5.503 -2.862 6.229 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.910 -3.690 8.941 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.690 -1.452 8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.161 -1.058 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.633 -2.104 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.411 -2.817 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.006 -0.965 10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.149 -2.717 10.469 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.549 -1.938 10.503 1.00 0.00 H new