USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 94 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Set 1.2: A 122 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 2.1: A 112 TYR OH : rot -100:sc= -0.747 USER MOD Set 2.2: A 136 ASN : amide:sc= -1.77 K(o=-2.5,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -161:sc= -0.0239 (180deg=-0.346) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0.0053) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.041 K(o=-0.041,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -3.04! C(o=-3!,f=-14!) USER MOD Single : A 101 THR OG1 : rot -22:sc= 0.809 USER MOD Single : A 102 LYS NZ :NH3+ -174:sc= -2.47! (180deg=-2.73) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 106 THR OG1 : rot -71:sc= 0.62 USER MOD Single : A 108 LYS NZ :NH3+ -164:sc=-0.000859 (180deg=-0.188) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 113 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.46) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.0678 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.8!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 69:sc= 0.617! USER MOD Single : A 134 SER OG : rot 78:sc= 0.559 USER MOD Single : A 135 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 137 MET CE :methyl -144:sc= -0.241 (180deg=-2.35!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 81:sc= 0.397 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.258 2.664 -6.976 1.00 0.00 N ATOM 16 CA PHE A 65 7.967 2.282 -6.324 1.00 0.00 C ATOM 17 C PHE A 65 8.216 1.910 -4.862 1.00 0.00 C ATOM 18 O PHE A 65 7.528 2.359 -3.965 1.00 0.00 O ATOM 19 CB PHE A 65 7.356 1.078 -7.057 1.00 0.00 C ATOM 20 CG PHE A 65 8.336 -0.080 -7.083 1.00 0.00 C ATOM 21 CD1 PHE A 65 9.274 -0.179 -8.120 1.00 0.00 C ATOM 22 CD2 PHE A 65 8.302 -1.060 -6.079 1.00 0.00 C ATOM 23 CE1 PHE A 65 10.175 -1.252 -8.151 1.00 0.00 C ATOM 24 CE2 PHE A 65 9.205 -2.132 -6.115 1.00 0.00 C ATOM 25 CZ PHE A 65 10.139 -2.227 -7.149 1.00 0.00 C ATOM 0 HA PHE A 65 7.279 3.127 -6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.435 0.772 -6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.091 1.361 -8.076 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.302 0.572 -8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.580 -0.988 -5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.898 -1.326 -8.950 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.178 -2.886 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.834 -3.054 -7.175 1.00 0.00 H new ATOM 35 N LYS A 66 9.197 1.087 -4.623 1.00 0.00 N ATOM 36 CA LYS A 66 9.513 0.666 -3.227 1.00 0.00 C ATOM 37 C LYS A 66 10.080 1.850 -2.444 1.00 0.00 C ATOM 38 O LYS A 66 9.839 2.003 -1.261 1.00 0.00 O ATOM 39 CB LYS A 66 10.549 -0.460 -3.266 1.00 0.00 C ATOM 40 CG LYS A 66 11.866 0.059 -3.861 1.00 0.00 C ATOM 41 CD LYS A 66 12.822 -1.117 -4.105 1.00 0.00 C ATOM 42 CE LYS A 66 13.304 -1.690 -2.767 1.00 0.00 C ATOM 43 NZ LYS A 66 14.486 -2.567 -2.998 1.00 0.00 N ATOM 0 H LYS A 66 9.800 0.683 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 66 8.603 0.317 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.721 -0.842 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.173 -1.291 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.672 0.583 -4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.324 0.778 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.317 -1.893 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.676 -0.785 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.566 -0.880 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.503 -2.258 -2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.813 -2.956 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.221 -3.347 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.251 -2.012 -3.432 1.00 0.00 H new ATOM 57 N GLN A 67 10.842 2.681 -3.099 1.00 0.00 N ATOM 58 CA GLN A 67 11.444 3.857 -2.407 1.00 0.00 C ATOM 59 C GLN A 67 10.334 4.806 -1.946 1.00 0.00 C ATOM 60 O GLN A 67 10.351 5.311 -0.841 1.00 0.00 O ATOM 61 CB GLN A 67 12.367 4.596 -3.380 1.00 0.00 C ATOM 62 CG GLN A 67 13.025 5.777 -2.664 1.00 0.00 C ATOM 63 CD GLN A 67 14.042 6.449 -3.590 1.00 0.00 C ATOM 64 OE1 GLN A 67 13.695 6.927 -4.652 1.00 0.00 O ATOM 65 NE2 GLN A 67 15.293 6.509 -3.224 1.00 0.00 N ATOM 0 H GLN A 67 11.075 2.597 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 67 12.014 3.517 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.130 3.917 -3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.798 4.950 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.266 6.498 -2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.520 5.433 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.583 6.108 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.981 6.957 -3.829 1.00 0.00 H new ATOM 74 N VAL A 68 9.373 5.049 -2.794 1.00 0.00 N ATOM 75 CA VAL A 68 8.254 5.966 -2.425 1.00 0.00 C ATOM 76 C VAL A 68 7.462 5.367 -1.260 1.00 0.00 C ATOM 77 O VAL A 68 7.143 6.036 -0.296 1.00 0.00 O ATOM 78 CB VAL A 68 7.324 6.142 -3.632 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.070 6.918 -3.212 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.056 6.913 -4.735 1.00 0.00 C ATOM 0 H VAL A 68 9.313 4.651 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 68 8.660 6.933 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 68 7.032 5.161 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.413 7.040 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.546 6.367 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.359 7.899 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.394 7.038 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.352 7.893 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.943 6.358 -5.039 1.00 0.00 H new ATOM 90 N ALA A 69 7.139 4.106 -1.351 1.00 0.00 N ATOM 91 CA ALA A 69 6.362 3.442 -0.265 1.00 0.00 C ATOM 92 C ALA A 69 7.222 3.343 0.999 1.00 0.00 C ATOM 93 O ALA A 69 6.748 3.518 2.105 1.00 0.00 O ATOM 94 CB ALA A 69 5.968 2.035 -0.721 1.00 0.00 C ATOM 0 H ALA A 69 7.382 3.503 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 69 5.468 4.026 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.399 1.543 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.357 2.102 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.867 1.457 -0.935 1.00 0.00 H new ATOM 100 N ASP A 70 8.484 3.056 0.835 1.00 0.00 N ATOM 101 CA ASP A 70 9.395 2.933 2.014 1.00 0.00 C ATOM 102 C ASP A 70 9.505 4.283 2.726 1.00 0.00 C ATOM 103 O ASP A 70 9.498 4.364 3.939 1.00 0.00 O ATOM 104 CB ASP A 70 10.785 2.506 1.531 1.00 0.00 C ATOM 105 CG ASP A 70 11.723 2.357 2.729 1.00 0.00 C ATOM 106 OD1 ASP A 70 11.295 2.657 3.832 1.00 0.00 O ATOM 107 OD2 ASP A 70 12.852 1.942 2.525 1.00 0.00 O ATOM 0 H ASP A 70 8.928 2.900 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 70 8.995 2.191 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.718 1.562 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.182 3.245 0.836 1.00 0.00 H new ATOM 112 N ASP A 71 9.619 5.342 1.973 1.00 0.00 N ATOM 113 CA ASP A 71 9.744 6.700 2.585 1.00 0.00 C ATOM 114 C ASP A 71 8.489 7.028 3.398 1.00 0.00 C ATOM 115 O ASP A 71 8.562 7.492 4.520 1.00 0.00 O ATOM 116 CB ASP A 71 9.893 7.738 1.468 1.00 0.00 C ATOM 117 CG ASP A 71 11.290 7.641 0.853 1.00 0.00 C ATOM 118 OD1 ASP A 71 12.135 6.993 1.447 1.00 0.00 O ATOM 119 OD2 ASP A 71 11.491 8.218 -0.204 1.00 0.00 O ATOM 0 H ASP A 71 9.631 5.327 0.953 1.00 0.00 H new ATOM 0 HA ASP A 71 10.614 6.718 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.136 7.572 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.730 8.740 1.866 1.00 0.00 H new ATOM 124 N TRP A 72 7.339 6.800 2.829 1.00 0.00 N ATOM 125 CA TRP A 72 6.065 7.101 3.544 1.00 0.00 C ATOM 126 C TRP A 72 5.871 6.123 4.702 1.00 0.00 C ATOM 127 O TRP A 72 5.448 6.491 5.781 1.00 0.00 O ATOM 128 CB TRP A 72 4.898 6.961 2.565 1.00 0.00 C ATOM 129 CG TRP A 72 3.620 7.298 3.259 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.076 8.534 3.325 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.717 6.414 3.986 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.898 8.467 4.045 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.633 7.182 4.474 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.733 5.036 4.266 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.603 6.602 5.213 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.697 4.450 5.010 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.634 5.232 5.483 1.00 0.00 C ATOM 0 H TRP A 72 7.225 6.415 1.891 1.00 0.00 H new ATOM 0 HA TRP A 72 6.104 8.117 3.937 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.045 7.622 1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.856 5.943 2.177 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.494 9.428 2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.298 9.269 4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.548 4.425 3.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.214 7.209 5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.719 3.391 5.219 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.160 4.776 6.055 1.00 0.00 H new ATOM 148 N LEU A 73 6.159 4.874 4.475 1.00 0.00 N ATOM 149 CA LEU A 73 5.970 3.860 5.549 1.00 0.00 C ATOM 150 C LEU A 73 6.873 4.174 6.752 1.00 0.00 C ATOM 151 O LEU A 73 6.453 4.075 7.884 1.00 0.00 O ATOM 152 CB LEU A 73 6.300 2.461 5.000 1.00 0.00 C ATOM 153 CG LEU A 73 6.196 1.416 6.122 1.00 0.00 C ATOM 154 CD1 LEU A 73 4.798 1.469 6.759 1.00 0.00 C ATOM 155 CD2 LEU A 73 6.444 0.020 5.544 1.00 0.00 C ATOM 0 H LEU A 73 6.517 4.510 3.592 1.00 0.00 H new ATOM 0 HA LEU A 73 4.931 3.887 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.614 2.208 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.305 2.455 4.579 1.00 0.00 H new ATOM 0 HG LEU A 73 6.944 1.633 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.732 0.726 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.625 2.461 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.044 1.258 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.370 -0.722 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.699 -0.194 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.440 -0.019 5.102 1.00 0.00 H new ATOM 167 N LYS A 74 8.105 4.538 6.524 1.00 0.00 N ATOM 168 CA LYS A 74 9.011 4.836 7.679 1.00 0.00 C ATOM 169 C LYS A 74 8.466 6.037 8.458 1.00 0.00 C ATOM 170 O LYS A 74 8.402 6.031 9.673 1.00 0.00 O ATOM 171 CB LYS A 74 10.419 5.170 7.164 1.00 0.00 C ATOM 172 CG LYS A 74 11.413 5.248 8.341 1.00 0.00 C ATOM 173 CD LYS A 74 11.941 3.845 8.666 1.00 0.00 C ATOM 174 CE LYS A 74 12.970 3.928 9.792 1.00 0.00 C ATOM 175 NZ LYS A 74 14.192 4.626 9.304 1.00 0.00 N ATOM 0 H LYS A 74 8.524 4.642 5.600 1.00 0.00 H new ATOM 0 HA LYS A 74 9.059 3.963 8.329 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.744 4.410 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.403 6.120 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.242 5.909 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.922 5.674 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.117 3.196 8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.394 3.402 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.549 4.463 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.225 2.927 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.991 4.407 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.413 4.306 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.027 5.653 9.299 1.00 0.00 H new ATOM 189 N GLN A 75 8.079 7.068 7.762 1.00 0.00 N ATOM 190 CA GLN A 75 7.537 8.286 8.439 1.00 0.00 C ATOM 191 C GLN A 75 6.191 7.962 9.093 1.00 0.00 C ATOM 192 O GLN A 75 5.900 8.387 10.194 1.00 0.00 O ATOM 193 CB GLN A 75 7.338 9.391 7.397 1.00 0.00 C ATOM 194 CG GLN A 75 8.702 9.883 6.907 1.00 0.00 C ATOM 195 CD GLN A 75 8.515 10.941 5.817 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.013 10.651 4.750 1.00 0.00 O ATOM 197 NE2 GLN A 75 8.900 12.168 6.046 1.00 0.00 N ATOM 0 H GLN A 75 8.114 7.123 6.744 1.00 0.00 H new ATOM 0 HA GLN A 75 8.238 8.617 9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.753 9.013 6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.776 10.218 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.267 10.302 7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 75 9.282 9.046 6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.322 12.411 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.779 12.883 5.328 1.00 0.00 H new ATOM 206 N TYR A 76 5.369 7.215 8.411 1.00 0.00 N ATOM 207 CA TYR A 76 4.030 6.853 8.963 1.00 0.00 C ATOM 208 C TYR A 76 4.196 5.801 10.064 1.00 0.00 C ATOM 209 O TYR A 76 3.285 5.524 10.818 1.00 0.00 O ATOM 210 CB TYR A 76 3.165 6.291 7.832 1.00 0.00 C ATOM 211 CG TYR A 76 1.822 5.861 8.374 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.824 6.815 8.602 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.575 4.510 8.645 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.421 6.419 9.105 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.330 4.113 9.148 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.669 5.068 9.379 1.00 0.00 C ATOM 217 OH TYR A 76 -1.894 4.677 9.876 1.00 0.00 O ATOM 0 H TYR A 76 5.568 6.835 7.485 1.00 0.00 H new ATOM 0 HA TYR A 76 3.551 7.736 9.387 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.029 7.046 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.667 5.443 7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.014 7.857 8.390 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.345 3.774 8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.191 7.156 9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.140 3.071 9.358 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.898 3.706 10.009 1.00 0.00 H new ATOM 227 N ALA A 77 5.358 5.215 10.159 1.00 0.00 N ATOM 228 CA ALA A 77 5.593 4.180 11.208 1.00 0.00 C ATOM 229 C ALA A 77 5.758 4.866 12.570 1.00 0.00 C ATOM 230 O ALA A 77 5.773 4.227 13.603 1.00 0.00 O ATOM 231 CB ALA A 77 6.864 3.392 10.877 1.00 0.00 C ATOM 0 H ALA A 77 6.157 5.408 9.555 1.00 0.00 H new ATOM 0 HA ALA A 77 4.744 3.498 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.034 2.637 11.644 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.749 2.906 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.715 4.072 10.843 1.00 0.00 H new ATOM 237 N ASN A 78 5.881 6.168 12.569 1.00 0.00 N ATOM 238 CA ASN A 78 6.045 6.924 13.852 1.00 0.00 C ATOM 239 C ASN A 78 4.668 7.378 14.349 1.00 0.00 C ATOM 240 O ASN A 78 4.549 8.098 15.320 1.00 0.00 O ATOM 241 CB ASN A 78 6.935 8.149 13.612 1.00 0.00 C ATOM 242 CG ASN A 78 8.386 7.698 13.416 1.00 0.00 C ATOM 243 OD1 ASN A 78 8.748 6.600 13.787 1.00 0.00 O ATOM 244 ND2 ASN A 78 9.241 8.508 12.848 1.00 0.00 N ATOM 0 H ASN A 78 5.875 6.747 11.729 1.00 0.00 H new ATOM 0 HA ASN A 78 6.509 6.282 14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.591 8.695 12.733 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.867 8.832 14.458 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.210 8.217 12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.939 9.431 12.536 1.00 0.00 H new ATOM 251 N ASP A 79 3.629 6.954 13.681 1.00 0.00 N ATOM 252 CA ASP A 79 2.248 7.342 14.098 1.00 0.00 C ATOM 253 C ASP A 79 1.770 6.405 15.210 1.00 0.00 C ATOM 254 O ASP A 79 1.883 6.698 16.383 1.00 0.00 O ATOM 255 CB ASP A 79 1.298 7.205 12.904 1.00 0.00 C ATOM 256 CG ASP A 79 1.572 8.317 11.892 1.00 0.00 C ATOM 257 OD1 ASP A 79 2.305 9.231 12.229 1.00 0.00 O ATOM 258 OD2 ASP A 79 1.036 8.240 10.797 1.00 0.00 O ATOM 0 H ASP A 79 3.677 6.352 12.859 1.00 0.00 H new ATOM 0 HA ASP A 79 2.257 8.372 14.454 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.430 6.231 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.263 7.257 13.243 1.00 0.00 H new ATOM 263 N VAL A 80 1.222 5.281 14.833 1.00 0.00 N ATOM 264 CA VAL A 80 0.706 4.307 15.842 1.00 0.00 C ATOM 265 C VAL A 80 1.829 3.411 16.369 1.00 0.00 C ATOM 266 O VAL A 80 2.996 3.749 16.327 1.00 0.00 O ATOM 267 CB VAL A 80 -0.372 3.431 15.194 1.00 0.00 C ATOM 268 CG1 VAL A 80 -1.444 4.319 14.561 1.00 0.00 C ATOM 269 CG2 VAL A 80 0.255 2.546 14.110 1.00 0.00 C ATOM 0 H VAL A 80 1.108 4.992 13.861 1.00 0.00 H new ATOM 0 HA VAL A 80 0.289 4.868 16.678 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.823 2.800 15.960 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.209 3.694 14.101 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.899 4.944 15.329 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.988 4.953 13.801 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.517 1.926 13.654 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.713 3.175 13.347 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.016 1.906 14.557 1.00 0.00 H new ATOM 279 N LYS A 81 1.459 2.268 16.881 1.00 0.00 N ATOM 280 CA LYS A 81 2.460 1.317 17.444 1.00 0.00 C ATOM 281 C LYS A 81 3.271 0.660 16.326 1.00 0.00 C ATOM 282 O LYS A 81 2.812 0.497 15.211 1.00 0.00 O ATOM 283 CB LYS A 81 1.731 0.235 18.250 1.00 0.00 C ATOM 284 CG LYS A 81 1.091 0.864 19.491 1.00 0.00 C ATOM 285 CD LYS A 81 0.347 -0.214 20.287 1.00 0.00 C ATOM 286 CE LYS A 81 -0.314 0.419 21.514 1.00 0.00 C ATOM 287 NZ LYS A 81 -1.054 -0.628 22.275 1.00 0.00 N ATOM 0 H LYS A 81 0.492 1.949 16.934 1.00 0.00 H new ATOM 0 HA LYS A 81 3.143 1.868 18.090 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.966 -0.238 17.634 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.431 -0.546 18.546 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.857 1.326 20.113 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.401 1.654 19.196 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.407 -0.689 19.659 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.041 -0.995 20.597 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.441 0.880 22.150 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.997 1.210 21.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.503 -0.199 23.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.785 -1.049 21.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.391 -1.368 22.582 1.00 0.00 H new ATOM 301 N VAL A 82 4.481 0.289 16.635 1.00 0.00 N ATOM 302 CA VAL A 82 5.364 -0.361 15.626 1.00 0.00 C ATOM 303 C VAL A 82 4.774 -1.710 15.209 1.00 0.00 C ATOM 304 O VAL A 82 4.818 -2.093 14.056 1.00 0.00 O ATOM 305 CB VAL A 82 6.752 -0.587 16.242 1.00 0.00 C ATOM 306 CG1 VAL A 82 7.329 0.746 16.721 1.00 0.00 C ATOM 307 CG2 VAL A 82 6.641 -1.546 17.435 1.00 0.00 C ATOM 0 H VAL A 82 4.902 0.410 17.556 1.00 0.00 H new ATOM 0 HA VAL A 82 5.444 0.283 14.750 1.00 0.00 H new ATOM 0 HB VAL A 82 7.409 -1.019 15.487 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.314 0.580 17.157 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.417 1.429 15.876 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.668 1.180 17.471 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.629 -1.703 17.869 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.979 -1.116 18.187 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.237 -2.501 17.098 1.00 0.00 H new ATOM 317 N SER A 83 4.232 -2.438 16.148 1.00 0.00 N ATOM 318 CA SER A 83 3.646 -3.776 15.829 1.00 0.00 C ATOM 319 C SER A 83 2.517 -3.622 14.806 1.00 0.00 C ATOM 320 O SER A 83 2.434 -4.354 13.837 1.00 0.00 O ATOM 321 CB SER A 83 3.080 -4.390 17.110 1.00 0.00 C ATOM 322 OG SER A 83 2.231 -5.478 16.776 1.00 0.00 O ATOM 0 H SER A 83 4.169 -2.163 17.128 1.00 0.00 H new ATOM 0 HA SER A 83 4.421 -4.420 15.414 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.892 -4.732 17.752 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.524 -3.639 17.671 1.00 0.00 H new ATOM 0 HG SER A 83 1.869 -5.874 17.596 1.00 0.00 H new ATOM 328 N SER A 84 1.650 -2.672 15.015 1.00 0.00 N ATOM 329 CA SER A 84 0.521 -2.453 14.063 1.00 0.00 C ATOM 330 C SER A 84 1.080 -2.052 12.696 1.00 0.00 C ATOM 331 O SER A 84 0.574 -2.438 11.661 1.00 0.00 O ATOM 332 CB SER A 84 -0.376 -1.336 14.593 1.00 0.00 C ATOM 333 OG SER A 84 -0.744 -1.624 15.935 1.00 0.00 O ATOM 0 H SER A 84 1.673 -2.032 15.809 1.00 0.00 H new ATOM 0 HA SER A 84 -0.058 -3.371 13.964 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.147 -0.381 14.544 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.267 -1.244 13.972 1.00 0.00 H new ATOM 0 HG SER A 84 -1.318 -0.908 16.278 1.00 0.00 H new ATOM 339 N VAL A 85 2.126 -1.274 12.697 1.00 0.00 N ATOM 340 CA VAL A 85 2.748 -0.823 11.417 1.00 0.00 C ATOM 341 C VAL A 85 3.295 -2.037 10.661 1.00 0.00 C ATOM 342 O VAL A 85 3.158 -2.150 9.458 1.00 0.00 O ATOM 343 CB VAL A 85 3.892 0.146 11.728 1.00 0.00 C ATOM 344 CG1 VAL A 85 4.677 0.450 10.447 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.315 1.448 12.299 1.00 0.00 C ATOM 0 H VAL A 85 2.583 -0.926 13.540 1.00 0.00 H new ATOM 0 HA VAL A 85 2.001 -0.321 10.802 1.00 0.00 H new ATOM 0 HB VAL A 85 4.562 -0.308 12.459 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.490 1.140 10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.088 -0.476 10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.012 0.902 9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.128 2.139 12.521 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.644 1.900 11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.763 1.231 13.213 1.00 0.00 H new ATOM 355 N ARG A 86 3.921 -2.939 11.365 1.00 0.00 N ATOM 356 CA ARG A 86 4.492 -4.149 10.705 1.00 0.00 C ATOM 357 C ARG A 86 3.365 -4.932 10.026 1.00 0.00 C ATOM 358 O ARG A 86 3.523 -5.451 8.938 1.00 0.00 O ATOM 359 CB ARG A 86 5.159 -5.034 11.763 1.00 0.00 C ATOM 360 CG ARG A 86 6.446 -4.363 12.256 1.00 0.00 C ATOM 361 CD ARG A 86 7.079 -5.207 13.372 1.00 0.00 C ATOM 362 NE ARG A 86 7.517 -6.519 12.812 1.00 0.00 N ATOM 363 CZ ARG A 86 7.951 -7.472 13.600 1.00 0.00 C ATOM 364 NH1 ARG A 86 8.016 -7.291 14.892 1.00 0.00 N ATOM 365 NH2 ARG A 86 8.328 -8.611 13.086 1.00 0.00 N ATOM 0 H ARG A 86 4.063 -2.891 12.374 1.00 0.00 H new ATOM 0 HA ARG A 86 5.230 -3.849 9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.478 -5.196 12.599 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.386 -6.014 11.342 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.148 -4.251 11.430 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.226 -3.361 12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.930 -4.680 13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.361 -5.364 14.177 1.00 0.00 H new ATOM 0 HE ARG A 86 7.478 -6.676 11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.727 -6.401 15.297 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.355 -8.040 15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.284 -8.755 12.077 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.667 -9.357 13.693 1.00 0.00 H new ATOM 379 N ALA A 87 2.228 -5.016 10.662 1.00 0.00 N ATOM 380 CA ALA A 87 1.082 -5.759 10.057 1.00 0.00 C ATOM 381 C ALA A 87 0.661 -5.061 8.761 1.00 0.00 C ATOM 382 O ALA A 87 0.396 -5.690 7.754 1.00 0.00 O ATOM 383 CB ALA A 87 -0.093 -5.754 11.037 1.00 0.00 C ATOM 0 H ALA A 87 2.042 -4.602 11.575 1.00 0.00 H new ATOM 0 HA ALA A 87 1.378 -6.786 9.843 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.933 -6.295 10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.207 -6.238 11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.391 -4.726 11.242 1.00 0.00 H new ATOM 389 N ARG A 88 0.611 -3.757 8.785 1.00 0.00 N ATOM 390 CA ARG A 88 0.222 -2.993 7.565 1.00 0.00 C ATOM 391 C ARG A 88 1.301 -3.168 6.496 1.00 0.00 C ATOM 392 O ARG A 88 1.015 -3.276 5.321 1.00 0.00 O ATOM 393 CB ARG A 88 0.090 -1.505 7.912 1.00 0.00 C ATOM 394 CG ARG A 88 -1.158 -1.283 8.770 1.00 0.00 C ATOM 395 CD ARG A 88 -1.300 0.208 9.089 1.00 0.00 C ATOM 396 NE ARG A 88 -2.530 0.429 9.905 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.490 0.372 11.212 1.00 0.00 C ATOM 398 NH1 ARG A 88 -1.363 0.163 11.836 1.00 0.00 N ATOM 399 NH2 ARG A 88 -3.589 0.536 11.899 1.00 0.00 N ATOM 0 H ARG A 88 0.824 -3.185 9.602 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.732 -3.365 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.977 -1.167 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.025 -0.913 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.043 -1.639 8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.085 -1.858 9.693 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.423 0.559 9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.355 0.784 8.166 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.415 0.627 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.501 0.042 11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.344 0.121 12.855 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.471 0.707 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.565 0.493 12.918 1.00 0.00 H new ATOM 413 N GLU A 89 2.541 -3.192 6.906 1.00 0.00 N ATOM 414 CA GLU A 89 3.661 -3.350 5.931 1.00 0.00 C ATOM 415 C GLU A 89 3.534 -4.694 5.207 1.00 0.00 C ATOM 416 O GLU A 89 3.718 -4.786 4.010 1.00 0.00 O ATOM 417 CB GLU A 89 4.997 -3.308 6.681 1.00 0.00 C ATOM 418 CG GLU A 89 6.148 -3.389 5.676 1.00 0.00 C ATOM 419 CD GLU A 89 7.489 -3.257 6.402 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.500 -3.372 7.616 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.485 -3.043 5.728 1.00 0.00 O ATOM 0 H GLU A 89 2.829 -3.108 7.881 1.00 0.00 H new ATOM 0 HA GLU A 89 3.619 -2.540 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.071 -2.389 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.057 -4.137 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.107 -4.337 5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.049 -2.598 4.933 1.00 0.00 H new ATOM 428 N LYS A 90 3.222 -5.734 5.930 1.00 0.00 N ATOM 429 CA LYS A 90 3.083 -7.081 5.297 1.00 0.00 C ATOM 430 C LYS A 90 1.911 -7.074 4.311 1.00 0.00 C ATOM 431 O LYS A 90 1.948 -7.718 3.281 1.00 0.00 O ATOM 432 CB LYS A 90 2.835 -8.129 6.384 1.00 0.00 C ATOM 433 CG LYS A 90 2.827 -9.529 5.759 1.00 0.00 C ATOM 434 CD LYS A 90 2.729 -10.593 6.863 1.00 0.00 C ATOM 435 CE LYS A 90 1.295 -10.669 7.397 1.00 0.00 C ATOM 436 NZ LYS A 90 1.146 -11.885 8.243 1.00 0.00 N ATOM 0 H LYS A 90 3.056 -5.711 6.936 1.00 0.00 H new ATOM 0 HA LYS A 90 3.999 -7.323 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.610 -8.065 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.883 -7.936 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.986 -9.626 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.734 -9.681 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.031 -11.564 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.415 -10.350 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.064 -9.777 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.588 -10.700 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.173 -11.938 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.350 -12.731 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.811 -11.836 9.041 1.00 0.00 H new ATOM 450 N ALA A 91 0.869 -6.354 4.623 1.00 0.00 N ATOM 451 CA ALA A 91 -0.312 -6.309 3.708 1.00 0.00 C ATOM 452 C ALA A 91 0.098 -5.705 2.359 1.00 0.00 C ATOM 453 O ALA A 91 -0.246 -6.214 1.311 1.00 0.00 O ATOM 454 CB ALA A 91 -1.406 -5.440 4.332 1.00 0.00 C ATOM 0 H ALA A 91 0.782 -5.794 5.471 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.684 -7.322 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.268 -5.406 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.705 -5.864 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.026 -4.430 4.485 1.00 0.00 H new ATOM 460 N ILE A 92 0.831 -4.625 2.382 1.00 0.00 N ATOM 461 CA ILE A 92 1.270 -3.976 1.106 1.00 0.00 C ATOM 462 C ILE A 92 2.533 -4.667 0.583 1.00 0.00 C ATOM 463 O ILE A 92 2.928 -4.488 -0.553 1.00 0.00 O ATOM 464 CB ILE A 92 1.564 -2.492 1.361 1.00 0.00 C ATOM 465 CG1 ILE A 92 2.613 -2.348 2.473 1.00 0.00 C ATOM 466 CG2 ILE A 92 0.276 -1.782 1.784 1.00 0.00 C ATOM 467 CD1 ILE A 92 3.006 -0.874 2.621 1.00 0.00 C ATOM 0 H ILE A 92 1.148 -4.160 3.232 1.00 0.00 H new ATOM 0 HA ILE A 92 0.477 -4.067 0.364 1.00 0.00 H new ATOM 0 HB ILE A 92 1.948 -2.043 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.214 -2.725 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.492 -2.947 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.484 -0.728 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.467 -1.874 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.108 -2.238 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.751 -0.773 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.423 -0.512 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.124 -0.286 2.877 1.00 0.00 H new ATOM 479 N GLN A 93 3.172 -5.440 1.415 1.00 0.00 N ATOM 480 CA GLN A 93 4.424 -6.139 0.996 1.00 0.00 C ATOM 481 C GLN A 93 4.144 -7.045 -0.206 1.00 0.00 C ATOM 482 O GLN A 93 4.929 -7.125 -1.131 1.00 0.00 O ATOM 483 CB GLN A 93 4.936 -6.989 2.161 1.00 0.00 C ATOM 484 CG GLN A 93 6.221 -7.709 1.748 1.00 0.00 C ATOM 485 CD GLN A 93 6.814 -8.445 2.951 1.00 0.00 C ATOM 486 OE1 GLN A 93 6.177 -9.300 3.533 1.00 0.00 O ATOM 487 NE2 GLN A 93 8.021 -8.146 3.349 1.00 0.00 N ATOM 0 H GLN A 93 2.880 -5.621 2.376 1.00 0.00 H new ATOM 0 HA GLN A 93 5.173 -5.398 0.716 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.124 -6.358 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.178 -7.716 2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.010 -8.416 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.942 -6.990 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.556 -7.428 2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.429 -8.630 4.149 1.00 0.00 H new ATOM 496 N HIS A 94 3.036 -7.731 -0.197 1.00 0.00 N ATOM 497 CA HIS A 94 2.707 -8.638 -1.338 1.00 0.00 C ATOM 498 C HIS A 94 2.547 -7.803 -2.613 1.00 0.00 C ATOM 499 O HIS A 94 2.981 -8.188 -3.681 1.00 0.00 O ATOM 500 CB HIS A 94 1.394 -9.376 -1.044 1.00 0.00 C ATOM 501 CG HIS A 94 1.585 -10.328 0.110 1.00 0.00 C ATOM 502 ND1 HIS A 94 2.391 -11.453 0.014 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.075 -10.341 1.386 1.00 0.00 C ATOM 504 CE1 HIS A 94 2.343 -12.090 1.199 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.555 -11.455 2.071 1.00 0.00 N ATOM 0 H HIS A 94 2.342 -7.705 0.550 1.00 0.00 H new ATOM 0 HA HIS A 94 3.508 -9.365 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.609 -8.658 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.069 -9.924 -1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.404 -9.600 1.795 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.877 -13.003 1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.349 -11.727 3.032 1.00 0.00 H new ATOM 513 N ALA A 95 1.922 -6.663 -2.501 1.00 0.00 N ATOM 514 CA ALA A 95 1.720 -5.785 -3.695 1.00 0.00 C ATOM 515 C ALA A 95 3.074 -5.279 -4.204 1.00 0.00 C ATOM 516 O ALA A 95 3.318 -5.207 -5.392 1.00 0.00 O ATOM 517 CB ALA A 95 0.858 -4.586 -3.292 1.00 0.00 C ATOM 0 H ALA A 95 1.539 -6.297 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 95 1.228 -6.354 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.706 -3.940 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.107 -4.938 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.361 -4.025 -2.504 1.00 0.00 H new ATOM 523 N ILE A 96 3.951 -4.923 -3.305 1.00 0.00 N ATOM 524 CA ILE A 96 5.293 -4.411 -3.714 1.00 0.00 C ATOM 525 C ILE A 96 6.072 -5.516 -4.437 1.00 0.00 C ATOM 526 O ILE A 96 6.718 -5.283 -5.440 1.00 0.00 O ATOM 527 CB ILE A 96 6.071 -3.978 -2.462 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.403 -2.742 -1.848 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.515 -3.641 -2.842 1.00 0.00 C ATOM 530 CD1 ILE A 96 6.013 -2.451 -0.473 1.00 0.00 C ATOM 0 H ILE A 96 3.796 -4.965 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 96 5.167 -3.561 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 96 6.070 -4.792 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.536 -1.882 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.330 -2.907 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.063 -3.334 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.991 -4.520 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.520 -2.829 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.535 -1.572 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.857 -3.308 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.082 -2.266 -0.581 1.00 0.00 H new ATOM 542 N GLU A 97 6.027 -6.711 -3.918 1.00 0.00 N ATOM 543 CA GLU A 97 6.776 -7.839 -4.548 1.00 0.00 C ATOM 544 C GLU A 97 6.145 -8.205 -5.896 1.00 0.00 C ATOM 545 O GLU A 97 6.825 -8.380 -6.888 1.00 0.00 O ATOM 546 CB GLU A 97 6.704 -9.058 -3.622 1.00 0.00 C ATOM 547 CG GLU A 97 7.629 -10.163 -4.141 1.00 0.00 C ATOM 548 CD GLU A 97 9.088 -9.738 -3.964 1.00 0.00 C ATOM 549 OE1 GLU A 97 9.318 -8.721 -3.332 1.00 0.00 O ATOM 550 OE2 GLU A 97 9.952 -10.439 -4.467 1.00 0.00 O ATOM 0 H GLU A 97 5.501 -6.958 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 97 7.812 -7.538 -4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.994 -8.775 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.679 -9.425 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.442 -11.091 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.422 -10.360 -5.193 1.00 0.00 H new ATOM 557 N ARG A 98 4.847 -8.332 -5.927 1.00 0.00 N ATOM 558 CA ARG A 98 4.148 -8.703 -7.195 1.00 0.00 C ATOM 559 C ARG A 98 4.282 -7.587 -8.228 1.00 0.00 C ATOM 560 O ARG A 98 4.462 -7.834 -9.404 1.00 0.00 O ATOM 561 CB ARG A 98 2.665 -8.936 -6.900 1.00 0.00 C ATOM 562 CG ARG A 98 2.498 -10.235 -6.107 1.00 0.00 C ATOM 563 CD ARG A 98 1.018 -10.446 -5.762 1.00 0.00 C ATOM 564 NE ARG A 98 0.582 -9.407 -4.784 1.00 0.00 N ATOM 565 CZ ARG A 98 -0.654 -9.374 -4.356 1.00 0.00 C ATOM 566 NH1 ARG A 98 -1.525 -10.255 -4.771 1.00 0.00 N ATOM 567 NH2 ARG A 98 -1.018 -8.454 -3.506 1.00 0.00 N ATOM 0 H ARG A 98 4.234 -8.194 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 98 4.602 -9.610 -7.595 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.260 -8.097 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.103 -8.992 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.869 -11.078 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.092 -10.193 -5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.411 -10.388 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.870 -11.441 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 98 1.253 -8.717 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.244 -10.977 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.486 -10.221 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.341 -7.765 -3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.980 -8.423 -3.169 1.00 0.00 H new ATOM 581 N PHE A 99 4.182 -6.360 -7.801 1.00 0.00 N ATOM 582 CA PHE A 99 4.285 -5.212 -8.752 1.00 0.00 C ATOM 583 C PHE A 99 5.709 -4.635 -8.700 1.00 0.00 C ATOM 584 O PHE A 99 5.956 -3.521 -9.115 1.00 0.00 O ATOM 585 CB PHE A 99 3.249 -4.143 -8.364 1.00 0.00 C ATOM 586 CG PHE A 99 1.836 -4.688 -8.547 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.386 -5.078 -9.820 1.00 0.00 C ATOM 588 CD2 PHE A 99 0.969 -4.787 -7.445 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.080 -5.561 -9.987 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.336 -5.273 -7.618 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.779 -5.660 -8.887 1.00 0.00 C ATOM 0 H PHE A 99 4.032 -6.098 -6.827 1.00 0.00 H new ATOM 0 HA PHE A 99 4.082 -5.545 -9.770 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.399 -3.840 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.386 -3.253 -8.979 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.047 -5.006 -10.671 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.308 -4.489 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.264 -5.857 -10.967 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.000 -5.348 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.783 -6.035 -9.018 1.00 0.00 H new ATOM 601 N ASN A 100 6.648 -5.405 -8.201 1.00 0.00 N ATOM 602 CA ASN A 100 8.067 -4.932 -8.126 1.00 0.00 C ATOM 603 C ASN A 100 8.578 -4.618 -9.536 1.00 0.00 C ATOM 604 O ASN A 100 9.269 -3.643 -9.758 1.00 0.00 O ATOM 605 CB ASN A 100 8.941 -6.032 -7.509 1.00 0.00 C ATOM 606 CG ASN A 100 8.881 -7.299 -8.374 1.00 0.00 C ATOM 607 OD1 ASN A 100 7.999 -7.451 -9.196 1.00 0.00 O ATOM 608 ND2 ASN A 100 9.791 -8.224 -8.217 1.00 0.00 N ATOM 0 H ASN A 100 6.491 -6.346 -7.841 1.00 0.00 H new ATOM 0 HA ASN A 100 8.115 -4.034 -7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.971 -5.686 -7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.599 -6.255 -6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.760 -9.071 -8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.532 -8.098 -7.528 1.00 0.00 H new ATOM 615 N THR A 101 8.237 -5.443 -10.487 1.00 0.00 N ATOM 616 CA THR A 101 8.691 -5.211 -11.889 1.00 0.00 C ATOM 617 C THR A 101 7.675 -4.322 -12.599 1.00 0.00 C ATOM 618 O THR A 101 7.834 -3.976 -13.753 1.00 0.00 O ATOM 619 CB THR A 101 8.802 -6.556 -12.618 1.00 0.00 C ATOM 620 OG1 THR A 101 9.103 -6.328 -13.987 1.00 0.00 O ATOM 621 CG2 THR A 101 7.483 -7.330 -12.509 1.00 0.00 C ATOM 0 H THR A 101 7.660 -6.273 -10.353 1.00 0.00 H new ATOM 0 HA THR A 101 9.666 -4.723 -11.888 1.00 0.00 H new ATOM 0 HB THR A 101 9.597 -7.143 -12.158 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.828 -5.421 -14.236 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.576 -8.282 -13.031 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.254 -7.512 -11.459 1.00 0.00 H new ATOM 0 HG23 THR A 101 6.680 -6.746 -12.960 1.00 0.00 H new ATOM 629 N LYS A 102 6.627 -3.946 -11.906 1.00 0.00 N ATOM 630 CA LYS A 102 5.583 -3.072 -12.520 1.00 0.00 C ATOM 631 C LYS A 102 5.658 -1.662 -11.902 1.00 0.00 C ATOM 632 O LYS A 102 5.217 -1.453 -10.789 1.00 0.00 O ATOM 633 CB LYS A 102 4.197 -3.661 -12.254 1.00 0.00 C ATOM 634 CG LYS A 102 3.190 -3.055 -13.255 1.00 0.00 C ATOM 635 CD LYS A 102 3.216 -3.855 -14.580 1.00 0.00 C ATOM 636 CE LYS A 102 2.152 -4.953 -14.540 1.00 0.00 C ATOM 637 NZ LYS A 102 2.177 -5.616 -13.205 1.00 0.00 N ATOM 0 H LYS A 102 6.451 -4.209 -10.936 1.00 0.00 H new ATOM 0 HA LYS A 102 5.756 -3.012 -13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.223 -4.746 -12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.887 -3.446 -11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.187 -3.072 -12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.438 -2.011 -13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.033 -3.188 -15.422 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.202 -4.296 -14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.167 -4.527 -14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.339 -5.685 -15.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.527 -6.428 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.142 -5.946 -12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.880 -4.938 -12.475 1.00 0.00 H new ATOM 651 N PRO A 103 6.200 -0.700 -12.613 1.00 0.00 N ATOM 652 CA PRO A 103 6.311 0.699 -12.107 1.00 0.00 C ATOM 653 C PRO A 103 4.972 1.250 -11.602 1.00 0.00 C ATOM 654 O PRO A 103 3.913 0.897 -12.083 1.00 0.00 O ATOM 655 CB PRO A 103 6.804 1.497 -13.330 1.00 0.00 C ATOM 656 CG PRO A 103 7.472 0.493 -14.215 1.00 0.00 C ATOM 657 CD PRO A 103 6.776 -0.841 -13.959 1.00 0.00 C ATOM 0 HA PRO A 103 6.981 0.764 -11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.974 1.983 -13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.499 2.283 -13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.385 0.781 -15.263 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.536 0.425 -13.990 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.004 -1.036 -14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.480 -1.672 -14.005 1.00 0.00 H new ATOM 665 N ILE A 104 5.028 2.109 -10.625 1.00 0.00 N ATOM 666 CA ILE A 104 3.784 2.699 -10.055 1.00 0.00 C ATOM 667 C ILE A 104 3.064 3.533 -11.120 1.00 0.00 C ATOM 668 O ILE A 104 1.852 3.539 -11.207 1.00 0.00 O ATOM 669 CB ILE A 104 4.149 3.593 -8.863 1.00 0.00 C ATOM 670 CG1 ILE A 104 2.882 4.262 -8.323 1.00 0.00 C ATOM 671 CG2 ILE A 104 5.147 4.672 -9.303 1.00 0.00 C ATOM 672 CD1 ILE A 104 3.168 4.877 -6.950 1.00 0.00 C ATOM 0 H ILE A 104 5.893 2.432 -10.191 1.00 0.00 H new ATOM 0 HA ILE A 104 3.123 1.897 -9.726 1.00 0.00 H new ATOM 0 HB ILE A 104 4.604 2.982 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.544 5.034 -9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.078 3.530 -8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.401 5.302 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.051 4.198 -9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.699 5.284 -10.086 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.264 5.352 -6.569 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.486 4.095 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.958 5.622 -7.043 1.00 0.00 H new ATOM 684 N GLN A 105 3.810 4.241 -11.921 1.00 0.00 N ATOM 685 CA GLN A 105 3.191 5.096 -12.982 1.00 0.00 C ATOM 686 C GLN A 105 2.245 4.262 -13.851 1.00 0.00 C ATOM 687 O GLN A 105 1.456 4.795 -14.604 1.00 0.00 O ATOM 688 CB GLN A 105 4.297 5.681 -13.868 1.00 0.00 C ATOM 689 CG GLN A 105 5.105 6.711 -13.075 1.00 0.00 C ATOM 690 CD GLN A 105 6.282 7.213 -13.917 1.00 0.00 C ATOM 691 OE1 GLN A 105 6.951 6.440 -14.574 1.00 0.00 O ATOM 692 NE2 GLN A 105 6.565 8.488 -13.924 1.00 0.00 N ATOM 0 H GLN A 105 4.829 4.267 -11.889 1.00 0.00 H new ATOM 0 HA GLN A 105 2.626 5.897 -12.506 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.952 4.885 -14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.860 6.149 -14.750 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.466 7.548 -12.793 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.472 6.264 -12.151 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.004 9.138 -13.373 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.347 8.834 -14.480 1.00 0.00 H new ATOM 701 N THR A 106 2.322 2.959 -13.763 1.00 0.00 N ATOM 702 CA THR A 106 1.429 2.089 -14.597 1.00 0.00 C ATOM 703 C THR A 106 0.268 1.559 -13.745 1.00 0.00 C ATOM 704 O THR A 106 -0.642 0.928 -14.244 1.00 0.00 O ATOM 705 CB THR A 106 2.244 0.914 -15.146 1.00 0.00 C ATOM 706 OG1 THR A 106 2.724 0.124 -14.068 1.00 0.00 O ATOM 707 CG2 THR A 106 3.429 1.444 -15.956 1.00 0.00 C ATOM 0 H THR A 106 2.964 2.456 -13.150 1.00 0.00 H new ATOM 0 HA THR A 106 1.022 2.673 -15.423 1.00 0.00 H new ATOM 0 HB THR A 106 1.609 0.305 -15.789 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.430 0.611 -13.594 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.007 0.606 -16.345 1.00 0.00 H new ATOM 0 HG22 THR A 106 3.062 2.048 -16.786 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.063 2.056 -15.315 1.00 0.00 H new ATOM 715 N ILE A 107 0.293 1.809 -12.462 1.00 0.00 N ATOM 716 CA ILE A 107 -0.809 1.314 -11.582 1.00 0.00 C ATOM 717 C ILE A 107 -2.022 2.236 -11.694 1.00 0.00 C ATOM 718 O ILE A 107 -1.929 3.433 -11.512 1.00 0.00 O ATOM 719 CB ILE A 107 -0.322 1.272 -10.130 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.811 0.245 -10.018 1.00 0.00 C ATOM 721 CG2 ILE A 107 -1.474 0.868 -9.203 1.00 0.00 C ATOM 722 CD1 ILE A 107 1.415 0.273 -8.609 1.00 0.00 C ATOM 0 H ILE A 107 1.027 2.333 -11.985 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.098 0.311 -11.898 1.00 0.00 H new ATOM 0 HB ILE A 107 0.038 2.258 -9.836 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.430 -0.752 -10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.583 0.462 -10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.119 0.840 -8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.282 1.594 -9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.841 -0.118 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.218 -0.461 -8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.813 1.267 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.643 0.033 -7.878 1.00 0.00 H new ATOM 734 N LYS A 108 -3.162 1.670 -12.001 1.00 0.00 N ATOM 735 CA LYS A 108 -4.419 2.474 -12.146 1.00 0.00 C ATOM 736 C LYS A 108 -5.431 2.089 -11.062 1.00 0.00 C ATOM 737 O LYS A 108 -5.140 1.336 -10.154 1.00 0.00 O ATOM 738 CB LYS A 108 -5.025 2.228 -13.537 1.00 0.00 C ATOM 739 CG LYS A 108 -4.907 0.746 -13.921 1.00 0.00 C ATOM 740 CD LYS A 108 -5.455 0.548 -15.337 1.00 0.00 C ATOM 741 CE LYS A 108 -5.314 -0.921 -15.744 1.00 0.00 C ATOM 742 NZ LYS A 108 -3.877 -1.234 -15.985 1.00 0.00 N ATOM 0 H LYS A 108 -3.279 0.669 -12.160 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.178 3.531 -12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.073 2.529 -13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.513 2.843 -14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.866 0.427 -13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -5.462 0.129 -13.214 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.502 0.848 -15.377 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.914 1.183 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.711 -1.566 -14.961 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.896 -1.117 -16.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.800 -2.127 -16.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.442 -0.467 -16.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.384 -1.327 -15.074 1.00 0.00 H new ATOM 756 N LYS A 109 -6.618 2.624 -11.161 1.00 0.00 N ATOM 757 CA LYS A 109 -7.679 2.330 -10.152 1.00 0.00 C ATOM 758 C LYS A 109 -8.049 0.848 -10.193 1.00 0.00 C ATOM 759 O LYS A 109 -8.340 0.238 -9.182 1.00 0.00 O ATOM 760 CB LYS A 109 -8.930 3.170 -10.464 1.00 0.00 C ATOM 761 CG LYS A 109 -9.507 2.788 -11.836 1.00 0.00 C ATOM 762 CD LYS A 109 -10.699 3.697 -12.157 1.00 0.00 C ATOM 763 CE LYS A 109 -11.275 3.330 -13.527 1.00 0.00 C ATOM 764 NZ LYS A 109 -12.440 4.210 -13.831 1.00 0.00 N ATOM 0 H LYS A 109 -6.902 3.260 -11.906 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.301 2.579 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.682 3.014 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.676 4.230 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.742 2.888 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.822 1.744 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.466 3.592 -11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.384 4.741 -12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.511 3.442 -14.296 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.584 2.285 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.830 3.960 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.171 4.082 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.132 5.203 -13.841 1.00 0.00 H new ATOM 778 N HIS A 110 -8.051 0.272 -11.360 1.00 0.00 N ATOM 779 CA HIS A 110 -8.414 -1.170 -11.492 1.00 0.00 C ATOM 780 C HIS A 110 -7.413 -2.024 -10.711 1.00 0.00 C ATOM 781 O HIS A 110 -7.778 -2.940 -9.999 1.00 0.00 O ATOM 782 CB HIS A 110 -8.376 -1.564 -12.968 1.00 0.00 C ATOM 783 CG HIS A 110 -8.776 -3.004 -13.112 1.00 0.00 C ATOM 784 ND1 HIS A 110 -10.073 -3.434 -12.885 1.00 0.00 N ATOM 785 CD2 HIS A 110 -8.063 -4.128 -13.453 1.00 0.00 C ATOM 786 CE1 HIS A 110 -10.101 -4.764 -13.089 1.00 0.00 C ATOM 787 NE2 HIS A 110 -8.902 -5.237 -13.438 1.00 0.00 N ATOM 0 H HIS A 110 -7.816 0.739 -12.236 1.00 0.00 H new ATOM 0 HA HIS A 110 -9.415 -1.333 -11.093 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.050 -0.929 -13.542 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.375 -1.412 -13.370 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -7.011 -4.147 -13.696 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.986 -5.374 -12.983 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.655 -6.204 -13.648 1.00 0.00 H new ATOM 795 N ASP A 111 -6.152 -1.728 -10.846 1.00 0.00 N ATOM 796 CA ASP A 111 -5.108 -2.510 -10.120 1.00 0.00 C ATOM 797 C ASP A 111 -5.293 -2.306 -8.611 1.00 0.00 C ATOM 798 O ASP A 111 -5.081 -3.203 -7.818 1.00 0.00 O ATOM 799 CB ASP A 111 -3.717 -2.004 -10.540 1.00 0.00 C ATOM 800 CG ASP A 111 -3.265 -2.687 -11.838 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.961 -3.577 -12.297 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.225 -2.305 -12.350 1.00 0.00 O ATOM 0 H ASP A 111 -5.795 -0.973 -11.432 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.198 -3.569 -10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.744 -0.924 -10.681 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.996 -2.204 -9.747 1.00 0.00 H new ATOM 807 N TYR A 112 -5.679 -1.125 -8.217 1.00 0.00 N ATOM 808 CA TYR A 112 -5.874 -0.835 -6.766 1.00 0.00 C ATOM 809 C TYR A 112 -6.985 -1.734 -6.208 1.00 0.00 C ATOM 810 O TYR A 112 -6.877 -2.273 -5.125 1.00 0.00 O ATOM 811 CB TYR A 112 -6.271 0.633 -6.592 1.00 0.00 C ATOM 812 CG TYR A 112 -6.384 0.952 -5.122 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.262 1.410 -4.421 1.00 0.00 C ATOM 814 CD2 TYR A 112 -7.605 0.790 -4.457 1.00 0.00 C ATOM 815 CE1 TYR A 112 -5.360 1.706 -3.058 1.00 0.00 C ATOM 816 CE2 TYR A 112 -7.703 1.086 -3.091 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.579 1.544 -2.392 1.00 0.00 C ATOM 818 OH TYR A 112 -6.673 1.834 -1.047 1.00 0.00 O ATOM 0 H TYR A 112 -5.870 -0.341 -8.841 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.946 -1.029 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.528 1.280 -7.059 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.221 0.826 -7.091 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.320 1.535 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.471 0.437 -4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.494 2.060 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.645 0.961 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.628 1.003 -0.529 1.00 0.00 H new ATOM 828 N GLN A 113 -8.048 -1.896 -6.948 1.00 0.00 N ATOM 829 CA GLN A 113 -9.175 -2.759 -6.478 1.00 0.00 C ATOM 830 C GLN A 113 -8.688 -4.204 -6.351 1.00 0.00 C ATOM 831 O GLN A 113 -9.095 -4.940 -5.472 1.00 0.00 O ATOM 832 CB GLN A 113 -10.325 -2.692 -7.490 1.00 0.00 C ATOM 833 CG GLN A 113 -11.082 -1.369 -7.334 1.00 0.00 C ATOM 834 CD GLN A 113 -11.887 -1.388 -6.032 1.00 0.00 C ATOM 835 OE1 GLN A 113 -13.035 -1.788 -6.021 1.00 0.00 O ATOM 836 NE2 GLN A 113 -11.328 -0.980 -4.927 1.00 0.00 N ATOM 0 H GLN A 113 -8.187 -1.467 -7.863 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.525 -2.407 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.934 -2.780 -8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.005 -3.530 -7.337 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.380 -0.535 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.748 -1.217 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.365 -0.644 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.854 -0.996 -4.053 1.00 0.00 H new ATOM 845 N ARG A 114 -7.813 -4.606 -7.230 1.00 0.00 N ATOM 846 CA ARG A 114 -7.278 -5.997 -7.184 1.00 0.00 C ATOM 847 C ARG A 114 -6.550 -6.223 -5.853 1.00 0.00 C ATOM 848 O ARG A 114 -6.675 -7.259 -5.225 1.00 0.00 O ATOM 849 CB ARG A 114 -6.293 -6.198 -8.340 1.00 0.00 C ATOM 850 CG ARG A 114 -5.794 -7.647 -8.356 1.00 0.00 C ATOM 851 CD ARG A 114 -4.828 -7.853 -9.528 1.00 0.00 C ATOM 852 NE ARG A 114 -5.570 -7.722 -10.816 1.00 0.00 N ATOM 853 CZ ARG A 114 -4.944 -7.842 -11.958 1.00 0.00 C ATOM 854 NH1 ARG A 114 -3.660 -8.080 -11.990 1.00 0.00 N ATOM 855 NH2 ARG A 114 -5.607 -7.722 -13.076 1.00 0.00 N ATOM 0 H ARG A 114 -7.443 -4.027 -7.984 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.101 -6.706 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -6.778 -5.961 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.450 -5.515 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.294 -7.879 -7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.638 -8.331 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.024 -7.118 -9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.365 -8.837 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.573 -7.537 -10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -3.137 -8.174 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.181 -8.172 -12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.610 -7.535 -13.057 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.122 -7.815 -13.969 1.00 0.00 H new ATOM 869 N PHE A 115 -5.787 -5.256 -5.426 1.00 0.00 N ATOM 870 CA PHE A 115 -5.039 -5.393 -4.142 1.00 0.00 C ATOM 871 C PHE A 115 -6.018 -5.386 -2.966 1.00 0.00 C ATOM 872 O PHE A 115 -5.774 -5.989 -1.941 1.00 0.00 O ATOM 873 CB PHE A 115 -4.063 -4.223 -3.994 1.00 0.00 C ATOM 874 CG PHE A 115 -3.420 -4.268 -2.627 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.547 -5.312 -2.302 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.704 -3.273 -1.681 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.956 -5.361 -1.035 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.112 -3.323 -0.413 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.238 -4.367 -0.091 1.00 0.00 C ATOM 0 H PHE A 115 -5.648 -4.371 -5.913 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.489 -6.334 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.298 -4.275 -4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.589 -3.278 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.329 -6.080 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.379 -2.468 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.282 -6.167 -0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.330 -2.556 0.316 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.781 -4.406 0.887 1.00 0.00 H new ATOM 889 N VAL A 116 -7.117 -4.696 -3.104 1.00 0.00 N ATOM 890 CA VAL A 116 -8.113 -4.637 -1.992 1.00 0.00 C ATOM 891 C VAL A 116 -8.643 -6.045 -1.710 1.00 0.00 C ATOM 892 O VAL A 116 -8.744 -6.470 -0.575 1.00 0.00 O ATOM 893 CB VAL A 116 -9.280 -3.729 -2.396 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.397 -3.826 -1.349 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.796 -2.279 -2.489 1.00 0.00 C ATOM 0 H VAL A 116 -7.370 -4.169 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.634 -4.238 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.662 -4.048 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.225 -3.179 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.747 -4.856 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.014 -3.511 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.628 -1.636 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.409 -1.962 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -8.006 -2.206 -3.236 1.00 0.00 H new ATOM 905 N ASP A 117 -8.985 -6.762 -2.741 1.00 0.00 N ATOM 906 CA ASP A 117 -9.513 -8.144 -2.555 1.00 0.00 C ATOM 907 C ASP A 117 -8.397 -9.044 -2.021 1.00 0.00 C ATOM 908 O ASP A 117 -8.631 -9.967 -1.263 1.00 0.00 O ATOM 909 CB ASP A 117 -10.011 -8.681 -3.904 1.00 0.00 C ATOM 910 CG ASP A 117 -8.824 -8.985 -4.833 1.00 0.00 C ATOM 911 OD1 ASP A 117 -7.990 -9.794 -4.461 1.00 0.00 O ATOM 912 OD2 ASP A 117 -8.780 -8.410 -5.904 1.00 0.00 O ATOM 0 H ASP A 117 -8.922 -6.451 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.338 -8.132 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.599 -9.585 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.669 -7.950 -4.373 1.00 0.00 H new ATOM 917 N ASP A 118 -7.187 -8.785 -2.434 1.00 0.00 N ATOM 918 CA ASP A 118 -6.036 -9.620 -1.984 1.00 0.00 C ATOM 919 C ASP A 118 -5.895 -9.530 -0.462 1.00 0.00 C ATOM 920 O ASP A 118 -5.685 -10.519 0.213 1.00 0.00 O ATOM 921 CB ASP A 118 -4.749 -9.097 -2.630 1.00 0.00 C ATOM 922 CG ASP A 118 -4.736 -9.437 -4.121 1.00 0.00 C ATOM 923 OD1 ASP A 118 -5.520 -10.280 -4.524 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.940 -8.849 -4.835 1.00 0.00 O ATOM 0 H ASP A 118 -6.944 -8.025 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.209 -10.656 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.677 -8.018 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.881 -9.539 -2.140 1.00 0.00 H new ATOM 929 N ILE A 119 -6.000 -8.346 0.076 1.00 0.00 N ATOM 930 CA ILE A 119 -5.863 -8.174 1.552 1.00 0.00 C ATOM 931 C ILE A 119 -7.164 -8.573 2.254 1.00 0.00 C ATOM 932 O ILE A 119 -7.172 -8.912 3.420 1.00 0.00 O ATOM 933 CB ILE A 119 -5.524 -6.712 1.870 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.606 -5.781 1.306 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.177 -6.356 1.243 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.339 -4.345 1.772 1.00 0.00 C ATOM 0 H ILE A 119 -6.175 -7.486 -0.444 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.060 -8.817 1.912 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.475 -6.587 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.608 -5.827 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.591 -6.106 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.934 -5.317 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.403 -7.006 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.232 -6.490 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -7.107 -3.684 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.359 -4.306 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.361 -4.023 1.415 1.00 0.00 H new ATOM 948 N SER A 120 -8.264 -8.528 1.555 1.00 0.00 N ATOM 949 CA SER A 120 -9.565 -8.901 2.184 1.00 0.00 C ATOM 950 C SER A 120 -9.535 -10.376 2.588 1.00 0.00 C ATOM 951 O SER A 120 -9.990 -10.754 3.649 1.00 0.00 O ATOM 952 CB SER A 120 -10.703 -8.677 1.187 1.00 0.00 C ATOM 953 OG SER A 120 -11.943 -8.988 1.810 1.00 0.00 O ATOM 0 H SER A 120 -8.320 -8.249 0.575 1.00 0.00 H new ATOM 0 HA SER A 120 -9.726 -8.282 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.704 -7.642 0.846 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.559 -9.303 0.306 1.00 0.00 H new ATOM 0 HG SER A 120 -12.674 -8.844 1.174 1.00 0.00 H new ATOM 959 N ALA A 121 -9.004 -11.208 1.736 1.00 0.00 N ATOM 960 CA ALA A 121 -8.940 -12.666 2.042 1.00 0.00 C ATOM 961 C ALA A 121 -7.827 -12.930 3.056 1.00 0.00 C ATOM 962 O ALA A 121 -7.695 -14.020 3.576 1.00 0.00 O ATOM 963 CB ALA A 121 -8.647 -13.438 0.754 1.00 0.00 C ATOM 0 H ALA A 121 -8.609 -10.939 0.835 1.00 0.00 H new ATOM 0 HA ALA A 121 -9.893 -12.993 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -8.599 -14.505 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.440 -13.251 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -7.693 -13.109 0.342 1.00 0.00 H new ATOM 969 N GLN A 122 -7.029 -11.935 3.343 1.00 0.00 N ATOM 970 CA GLN A 122 -5.915 -12.101 4.331 1.00 0.00 C ATOM 971 C GLN A 122 -6.210 -11.247 5.565 1.00 0.00 C ATOM 972 O GLN A 122 -5.671 -11.471 6.629 1.00 0.00 O ATOM 973 CB GLN A 122 -4.602 -11.637 3.700 1.00 0.00 C ATOM 974 CG GLN A 122 -4.202 -12.607 2.585 1.00 0.00 C ATOM 975 CD GLN A 122 -2.893 -12.144 1.942 1.00 0.00 C ATOM 976 OE1 GLN A 122 -1.948 -11.812 2.629 1.00 0.00 O ATOM 977 NE2 GLN A 122 -2.796 -12.113 0.640 1.00 0.00 N ATOM 0 H GLN A 122 -7.100 -11.004 2.932 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.831 -13.149 4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.715 -10.630 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.818 -11.592 4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.084 -13.612 2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.990 -12.657 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.589 -12.392 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.927 -11.810 0.200 1.00 0.00 H new ATOM 986 N TYR A 123 -7.063 -10.261 5.424 1.00 0.00 N ATOM 987 CA TYR A 123 -7.400 -9.371 6.583 1.00 0.00 C ATOM 988 C TYR A 123 -8.910 -9.133 6.650 1.00 0.00 C ATOM 989 O TYR A 123 -9.604 -9.140 5.652 1.00 0.00 O ATOM 990 CB TYR A 123 -6.686 -8.030 6.420 1.00 0.00 C ATOM 991 CG TYR A 123 -5.194 -8.245 6.482 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.546 -8.285 7.723 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.457 -8.401 5.302 1.00 0.00 C ATOM 994 CE1 TYR A 123 -3.162 -8.482 7.784 1.00 0.00 C ATOM 995 CE2 TYR A 123 -3.072 -8.597 5.364 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.425 -8.637 6.604 1.00 0.00 C ATOM 997 OH TYR A 123 -1.061 -8.831 6.664 1.00 0.00 O ATOM 0 H TYR A 123 -7.543 -10.033 4.553 1.00 0.00 H new ATOM 0 HA TYR A 123 -7.075 -9.855 7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.959 -7.573 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.998 -7.342 7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -5.115 -8.164 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.956 -8.370 4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.663 -8.514 8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.503 -8.717 4.454 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.703 -8.921 5.756 1.00 0.00 H new ATOM 1007 N SER A 124 -9.410 -8.929 7.835 1.00 0.00 N ATOM 1008 CA SER A 124 -10.873 -8.694 8.023 1.00 0.00 C ATOM 1009 C SER A 124 -11.254 -7.285 7.568 1.00 0.00 C ATOM 1010 O SER A 124 -10.416 -6.459 7.268 1.00 0.00 O ATOM 1011 CB SER A 124 -11.224 -8.867 9.504 1.00 0.00 C ATOM 1012 OG SER A 124 -10.971 -7.652 10.196 1.00 0.00 O ATOM 0 H SER A 124 -8.862 -8.914 8.695 1.00 0.00 H new ATOM 0 HA SER A 124 -11.427 -9.415 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.272 -9.147 9.610 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.633 -9.674 9.937 1.00 0.00 H new ATOM 0 HG SER A 124 -11.197 -7.762 11.143 1.00 0.00 H new ATOM 1018 N LYS A 125 -12.530 -7.023 7.510 1.00 0.00 N ATOM 1019 CA LYS A 125 -13.020 -5.686 7.065 1.00 0.00 C ATOM 1020 C LYS A 125 -12.446 -4.587 7.962 1.00 0.00 C ATOM 1021 O LYS A 125 -12.041 -3.539 7.497 1.00 0.00 O ATOM 1022 CB LYS A 125 -14.549 -5.658 7.155 1.00 0.00 C ATOM 1023 CG LYS A 125 -15.072 -4.335 6.587 1.00 0.00 C ATOM 1024 CD LYS A 125 -16.604 -4.334 6.606 1.00 0.00 C ATOM 1025 CE LYS A 125 -17.121 -3.014 6.023 1.00 0.00 C ATOM 1026 NZ LYS A 125 -18.613 -3.014 6.034 1.00 0.00 N ATOM 0 H LYS A 125 -13.265 -7.687 7.755 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.699 -5.512 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.972 -6.496 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.865 -5.770 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.691 -3.500 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.711 -4.198 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.986 -5.174 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.966 -4.460 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -16.743 -2.174 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.754 -2.886 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -18.963 -2.118 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -18.964 -3.807 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -18.953 -3.117 7.011 1.00 0.00 H new ATOM 1040 N ASN A 126 -12.420 -4.819 9.245 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.885 -3.790 10.188 1.00 0.00 C ATOM 1042 C ASN A 126 -10.400 -3.541 9.894 1.00 0.00 C ATOM 1043 O ASN A 126 -9.942 -2.416 9.856 1.00 0.00 O ATOM 1044 CB ASN A 126 -12.026 -4.308 11.623 1.00 0.00 C ATOM 1045 CG ASN A 126 -13.503 -4.328 12.029 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -14.321 -3.675 11.417 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -13.878 -5.057 13.049 1.00 0.00 N ATOM 0 H ASN A 126 -12.747 -5.679 9.685 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.442 -2.861 10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.606 -5.311 11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.461 -3.673 12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.859 -5.076 13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -13.190 -5.606 13.564 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.651 -4.587 9.684 1.00 0.00 N ATOM 1055 CA TYR A 127 -8.195 -4.430 9.385 1.00 0.00 C ATOM 1056 C TYR A 127 -8.012 -3.872 7.971 1.00 0.00 C ATOM 1057 O TYR A 127 -7.105 -3.111 7.701 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.505 -5.797 9.494 1.00 0.00 C ATOM 1059 CG TYR A 127 -7.235 -6.119 10.946 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -8.285 -6.501 11.788 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -5.931 -6.031 11.450 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -8.033 -6.795 13.132 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -5.678 -6.325 12.792 1.00 0.00 C ATOM 1064 CZ TYR A 127 -6.729 -6.706 13.635 1.00 0.00 C ATOM 1065 OH TYR A 127 -6.480 -6.995 14.961 1.00 0.00 O ATOM 0 H TYR A 127 -9.984 -5.551 9.706 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.751 -3.738 10.100 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.135 -6.569 9.052 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.570 -5.789 8.934 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.291 -6.569 11.400 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.120 -5.736 10.800 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -8.844 -7.091 13.782 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -4.672 -6.258 13.179 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.524 -6.885 15.146 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.868 -4.261 7.070 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.762 -3.780 5.658 1.00 0.00 C ATOM 1077 C VAL A 128 -8.925 -2.255 5.611 1.00 0.00 C ATOM 1078 O VAL A 128 -8.213 -1.566 4.906 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.862 -4.447 4.817 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -10.027 -3.710 3.480 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.488 -5.914 4.547 1.00 0.00 C ATOM 0 H VAL A 128 -9.645 -4.897 7.249 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.783 -4.041 5.256 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.802 -4.403 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.809 -4.192 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.302 -2.672 3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.087 -3.742 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.269 -6.385 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.543 -5.955 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.386 -6.444 5.494 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.866 -1.733 6.344 1.00 0.00 N ATOM 1092 CA ASP A 129 -10.100 -0.258 6.336 1.00 0.00 C ATOM 1093 C ASP A 129 -8.786 0.474 6.625 1.00 0.00 C ATOM 1094 O ASP A 129 -8.422 1.414 5.945 1.00 0.00 O ATOM 1095 CB ASP A 129 -11.118 0.090 7.426 1.00 0.00 C ATOM 1096 CG ASP A 129 -11.325 1.604 7.477 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -11.791 2.152 6.493 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.015 2.190 8.503 1.00 0.00 O ATOM 0 H ASP A 129 -10.488 -2.265 6.953 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.477 0.046 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -12.066 -0.409 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.767 -0.271 8.393 1.00 0.00 H new ATOM 1103 N SER A 130 -8.076 0.045 7.629 1.00 0.00 N ATOM 1104 CA SER A 130 -6.779 0.700 7.976 1.00 0.00 C ATOM 1105 C SER A 130 -5.781 0.517 6.827 1.00 0.00 C ATOM 1106 O SER A 130 -5.062 1.426 6.460 1.00 0.00 O ATOM 1107 CB SER A 130 -6.214 0.061 9.243 1.00 0.00 C ATOM 1108 OG SER A 130 -4.997 0.702 9.587 1.00 0.00 O ATOM 0 H SER A 130 -8.338 -0.736 8.230 1.00 0.00 H new ATOM 0 HA SER A 130 -6.946 1.764 8.142 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.930 0.151 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.045 -1.004 9.083 1.00 0.00 H new ATOM 0 HG SER A 130 -5.182 1.618 9.883 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.732 -0.660 6.264 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.785 -0.924 5.139 1.00 0.00 C ATOM 1116 C ILE A 131 -5.168 -0.047 3.946 1.00 0.00 C ATOM 1117 O ILE A 131 -4.328 0.527 3.280 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.862 -2.400 4.729 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.310 -3.275 5.861 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -4.029 -2.621 3.462 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.615 -4.750 5.577 1.00 0.00 C ATOM 0 H ILE A 131 -6.310 -1.455 6.536 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.769 -0.693 5.459 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.900 -2.669 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.234 -3.129 5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.755 -2.979 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -4.083 -3.670 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.420 -1.999 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.991 -2.352 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -4.220 -5.365 6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.693 -4.892 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.149 -5.043 4.636 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.438 0.047 3.674 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.914 0.874 2.527 1.00 0.00 C ATOM 1135 C VAL A 132 -6.498 2.331 2.745 1.00 0.00 C ATOM 1136 O VAL A 132 -6.010 2.992 1.850 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.444 0.781 2.451 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.983 1.806 1.447 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.846 -0.629 2.003 1.00 0.00 C ATOM 0 H VAL A 132 -7.176 -0.418 4.202 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.476 0.511 1.597 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.864 0.990 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -10.069 1.733 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.701 2.810 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.563 1.606 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.932 -0.697 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.420 -0.834 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.472 -1.359 2.721 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.695 2.831 3.934 1.00 0.00 N ATOM 1150 CA ALA A 133 -6.319 4.244 4.228 1.00 0.00 C ATOM 1151 C ALA A 133 -4.801 4.408 4.103 1.00 0.00 C ATOM 1152 O ALA A 133 -4.311 5.354 3.517 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.745 4.587 5.657 1.00 0.00 C ATOM 0 H ALA A 133 -7.102 2.320 4.718 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.816 4.909 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.473 5.619 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.824 4.467 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -6.241 3.920 6.357 1.00 0.00 H new ATOM 1159 N SER A 134 -4.057 3.490 4.657 1.00 0.00 N ATOM 1160 CA SER A 134 -2.566 3.576 4.584 1.00 0.00 C ATOM 1161 C SER A 134 -2.111 3.495 3.122 1.00 0.00 C ATOM 1162 O SER A 134 -1.253 4.237 2.682 1.00 0.00 O ATOM 1163 CB SER A 134 -1.958 2.411 5.369 1.00 0.00 C ATOM 1164 OG SER A 134 -2.374 2.491 6.726 1.00 0.00 O ATOM 0 H SER A 134 -4.417 2.679 5.160 1.00 0.00 H new ATOM 0 HA SER A 134 -2.236 4.524 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.273 1.462 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.870 2.444 5.308 1.00 0.00 H new ATOM 0 HG SER A 134 -3.293 2.159 6.807 1.00 0.00 H new ATOM 1170 N THR A 135 -2.683 2.593 2.372 1.00 0.00 N ATOM 1171 CA THR A 135 -2.297 2.444 0.936 1.00 0.00 C ATOM 1172 C THR A 135 -2.637 3.731 0.176 1.00 0.00 C ATOM 1173 O THR A 135 -1.870 4.210 -0.638 1.00 0.00 O ATOM 1174 CB THR A 135 -3.065 1.274 0.314 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.968 0.137 1.163 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.466 0.941 -1.054 1.00 0.00 C ATOM 0 H THR A 135 -3.406 1.948 2.692 1.00 0.00 H new ATOM 0 HA THR A 135 -1.226 2.253 0.872 1.00 0.00 H new ATOM 0 HB THR A 135 -4.113 1.550 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.754 0.097 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.012 0.108 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.540 1.812 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.418 0.665 -0.935 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.788 4.284 0.440 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.209 5.536 -0.260 1.00 0.00 C ATOM 1186 C ASN A 136 -3.232 6.667 0.075 1.00 0.00 C ATOM 1187 O ASN A 136 -2.926 7.504 -0.750 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.614 5.933 0.208 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.646 4.949 -0.348 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -7.610 4.622 0.314 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -6.489 4.468 -1.550 1.00 0.00 N ATOM 0 H ASN A 136 -4.462 3.922 1.115 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.212 5.363 -1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.655 5.940 1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.846 6.944 -0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -7.176 3.818 -1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -5.680 4.742 -2.107 1.00 0.00 H new ATOM 1198 N MET A 137 -2.752 6.699 1.288 1.00 0.00 N ATOM 1199 CA MET A 137 -1.802 7.776 1.699 1.00 0.00 C ATOM 1200 C MET A 137 -0.517 7.676 0.872 1.00 0.00 C ATOM 1201 O MET A 137 0.047 8.670 0.457 1.00 0.00 O ATOM 1202 CB MET A 137 -1.460 7.599 3.184 1.00 0.00 C ATOM 1203 CG MET A 137 -2.625 8.084 4.050 1.00 0.00 C ATOM 1204 SD MET A 137 -2.789 9.880 3.896 1.00 0.00 S ATOM 1205 CE MET A 137 -1.233 10.334 4.709 1.00 0.00 C ATOM 0 H MET A 137 -2.977 6.022 2.017 1.00 0.00 H new ATOM 0 HA MET A 137 -2.262 8.750 1.534 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.251 6.550 3.395 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.557 8.159 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.549 7.596 3.740 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.455 7.812 5.092 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.376 11.249 5.284 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.924 9.530 5.377 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.462 10.496 3.955 1.00 0.00 H new ATOM 1215 N ILE A 138 -0.046 6.480 0.642 1.00 0.00 N ATOM 1216 CA ILE A 138 1.210 6.304 -0.147 1.00 0.00 C ATOM 1217 C ILE A 138 1.015 6.837 -1.574 1.00 0.00 C ATOM 1218 O ILE A 138 1.808 7.611 -2.075 1.00 0.00 O ATOM 1219 CB ILE A 138 1.548 4.812 -0.212 1.00 0.00 C ATOM 1220 CG1 ILE A 138 1.881 4.303 1.195 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.750 4.596 -1.135 1.00 0.00 C ATOM 1222 CD1 ILE A 138 1.986 2.775 1.183 1.00 0.00 C ATOM 0 H ILE A 138 -0.477 5.615 0.967 1.00 0.00 H new ATOM 0 HA ILE A 138 2.019 6.855 0.333 1.00 0.00 H new ATOM 0 HB ILE A 138 0.692 4.263 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.820 4.738 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.110 4.618 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.988 3.533 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.510 4.956 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.609 5.145 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.223 2.419 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.036 2.348 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.774 2.470 0.494 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.038 6.424 -2.223 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.308 6.893 -3.619 1.00 0.00 C ATOM 1236 C PHE A 139 -0.680 8.377 -3.607 1.00 0.00 C ATOM 1237 O PHE A 139 -0.283 9.138 -4.467 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.466 6.078 -4.209 1.00 0.00 C ATOM 1239 CG PHE A 139 -0.961 4.728 -4.672 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.626 3.743 -3.735 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -0.826 4.466 -6.041 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.155 2.498 -4.170 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -0.355 3.224 -6.474 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.020 2.238 -5.539 1.00 0.00 C ATOM 0 H PHE A 139 -0.731 5.777 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 139 0.586 6.756 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.248 5.947 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.912 6.616 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -0.731 3.943 -2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -1.086 5.225 -6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.104 1.737 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -0.249 3.025 -7.530 1.00 0.00 H new ATOM 0 HZ PHE A 139 0.342 1.277 -5.873 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.450 8.784 -2.638 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.870 10.214 -2.553 1.00 0.00 C ATOM 1256 C LYS A 140 -0.639 11.099 -2.355 1.00 0.00 C ATOM 1257 O LYS A 140 -0.525 12.165 -2.929 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.824 10.389 -1.369 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.351 11.825 -1.342 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.360 11.981 -0.202 1.00 0.00 C ATOM 1261 CE LYS A 140 -4.898 13.415 -0.188 1.00 0.00 C ATOM 1262 NZ LYS A 140 -5.892 13.564 0.915 1.00 0.00 N ATOM 0 H LYS A 140 -1.810 8.185 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 140 -2.375 10.503 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.654 9.688 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.307 10.163 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.525 12.524 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.823 12.068 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.180 11.275 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.886 11.750 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.079 14.121 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.364 13.649 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -6.257 14.538 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.679 12.901 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -5.434 13.358 1.825 1.00 0.00 H new ATOM 1276 N TYR A 141 0.281 10.662 -1.540 1.00 0.00 N ATOM 1277 CA TYR A 141 1.515 11.464 -1.290 1.00 0.00 C ATOM 1278 C TYR A 141 2.289 11.632 -2.601 1.00 0.00 C ATOM 1279 O TYR A 141 2.734 12.711 -2.941 1.00 0.00 O ATOM 1280 CB TYR A 141 2.397 10.733 -0.274 1.00 0.00 C ATOM 1281 CG TYR A 141 3.695 11.486 -0.098 1.00 0.00 C ATOM 1282 CD1 TYR A 141 3.731 12.640 0.691 1.00 0.00 C ATOM 1283 CD2 TYR A 141 4.862 11.029 -0.725 1.00 0.00 C ATOM 1284 CE1 TYR A 141 4.933 13.340 0.856 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.064 11.729 -0.561 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.099 12.884 0.229 1.00 0.00 C ATOM 1287 OH TYR A 141 7.283 13.574 0.390 1.00 0.00 O ATOM 0 H TYR A 141 0.232 9.778 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 141 1.239 12.444 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 141 1.879 10.652 0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.597 9.717 -0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 141 2.831 12.992 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 141 4.835 10.138 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 141 4.960 14.231 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 141 6.964 11.378 -1.044 1.00 0.00 H new ATOM 0 HH TYR A 141 7.995 13.123 -0.111 1.00 0.00 H new ATOM 1297 N ALA A 142 2.453 10.564 -3.331 1.00 0.00 N ATOM 1298 CA ALA A 142 3.199 10.634 -4.623 1.00 0.00 C ATOM 1299 C ALA A 142 2.428 11.508 -5.615 1.00 0.00 C ATOM 1300 O ALA A 142 3.000 12.252 -6.389 1.00 0.00 O ATOM 1301 CB ALA A 142 3.343 9.222 -5.198 1.00 0.00 C ATOM 0 H ALA A 142 2.100 9.638 -3.088 1.00 0.00 H new ATOM 0 HA ALA A 142 4.185 11.065 -4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 142 3.887 9.267 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 142 3.890 8.596 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.354 8.796 -5.369 1.00 0.00 H new ATOM 1307 N TYR A 143 1.128 11.412 -5.598 1.00 0.00 N ATOM 1308 CA TYR A 143 0.293 12.223 -6.532 1.00 0.00 C ATOM 1309 C TYR A 143 0.504 13.713 -6.249 1.00 0.00 C ATOM 1310 O TYR A 143 0.652 14.516 -7.151 1.00 0.00 O ATOM 1311 CB TYR A 143 -1.181 11.870 -6.328 1.00 0.00 C ATOM 1312 CG TYR A 143 -2.039 12.754 -7.201 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -2.122 12.510 -8.576 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -2.751 13.820 -6.636 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -2.916 13.331 -9.388 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -3.543 14.641 -7.446 1.00 0.00 C ATOM 1317 CZ TYR A 143 -3.627 14.397 -8.822 1.00 0.00 C ATOM 1318 OH TYR A 143 -4.407 15.207 -9.620 1.00 0.00 O ATOM 0 H TYR A 143 0.602 10.802 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 143 0.583 12.006 -7.560 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -1.352 10.822 -6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -1.455 12.000 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -1.574 11.688 -9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -2.688 14.008 -5.574 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -2.980 13.142 -10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -4.090 15.464 -7.009 1.00 0.00 H new ATOM 0 HH TYR A 143 -4.832 15.897 -9.069 1.00 0.00 H new ATOM 1328 N ASP A 144 0.512 14.083 -4.999 1.00 0.00 N ATOM 1329 CA ASP A 144 0.704 15.520 -4.637 1.00 0.00 C ATOM 1330 C ASP A 144 2.072 15.990 -5.130 1.00 0.00 C ATOM 1331 O ASP A 144 2.220 17.078 -5.656 1.00 0.00 O ATOM 1332 CB ASP A 144 0.643 15.668 -3.114 1.00 0.00 C ATOM 1333 CG ASP A 144 -0.796 15.470 -2.635 1.00 0.00 C ATOM 1334 OD1 ASP A 144 -1.685 15.492 -3.471 1.00 0.00 O ATOM 1335 OD2 ASP A 144 -0.986 15.303 -1.441 1.00 0.00 O ATOM 0 H ASP A 144 0.393 13.451 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.079 16.121 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.298 14.936 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.002 16.654 -2.820 1.00 0.00 H new ATOM 1340 N THR A 145 3.073 15.174 -4.959 1.00 0.00 N ATOM 1341 CA THR A 145 4.442 15.555 -5.407 1.00 0.00 C ATOM 1342 C THR A 145 4.539 15.377 -6.917 1.00 0.00 C ATOM 1343 O THR A 145 5.599 15.109 -7.450 1.00 0.00 O ATOM 1344 CB THR A 145 5.469 14.655 -4.707 1.00 0.00 C ATOM 1345 OG1 THR A 145 5.118 14.525 -3.336 1.00 0.00 O ATOM 1346 CG2 THR A 145 6.876 15.258 -4.820 1.00 0.00 C ATOM 0 H THR A 145 3.002 14.253 -4.525 1.00 0.00 H new ATOM 0 HA THR A 145 4.644 16.596 -5.153 1.00 0.00 H new ATOM 0 HB THR A 145 5.469 13.676 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 145 4.416 13.848 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.592 14.607 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 145 7.147 15.354 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 145 6.889 16.242 -4.351 1.00 0.00 H new ATOM 1354 N ARG A 146 3.430 15.539 -7.603 1.00 0.00 N ATOM 1355 CA ARG A 146 3.400 15.395 -9.096 1.00 0.00 C ATOM 1356 C ARG A 146 4.347 14.273 -9.533 1.00 0.00 C ATOM 1357 O ARG A 146 4.854 14.255 -10.637 1.00 0.00 O ATOM 1358 CB ARG A 146 3.800 16.721 -9.761 1.00 0.00 C ATOM 1359 CG ARG A 146 5.179 17.176 -9.271 1.00 0.00 C ATOM 1360 CD ARG A 146 5.629 18.394 -10.070 1.00 0.00 C ATOM 1361 NE ARG A 146 6.951 18.864 -9.558 1.00 0.00 N ATOM 1362 CZ ARG A 146 8.066 18.358 -10.022 1.00 0.00 C ATOM 1363 NH1 ARG A 146 8.045 17.423 -10.933 1.00 0.00 N ATOM 1364 NH2 ARG A 146 9.209 18.793 -9.566 1.00 0.00 N ATOM 0 H ARG A 146 2.529 15.769 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 146 2.387 15.140 -9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 146 3.814 16.601 -10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.057 17.486 -9.535 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.137 17.420 -8.210 1.00 0.00 H new ATOM 0 HG3 ARG A 146 5.901 16.367 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.706 18.141 -11.127 1.00 0.00 H new ATOM 0 HD3 ARG A 146 4.890 19.191 -9.986 1.00 0.00 H new ATOM 0 HE ARG A 146 6.986 19.587 -8.839 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.154 17.079 -11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 146 8.920 17.036 -11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 146 9.229 19.522 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 146 10.082 18.404 -9.923 1.00 0.00 H new ATOM 1378 N LEU A 147 4.589 13.343 -8.650 1.00 0.00 N ATOM 1379 CA LEU A 147 5.502 12.215 -8.971 1.00 0.00 C ATOM 1380 C LEU A 147 4.887 11.385 -10.100 1.00 0.00 C ATOM 1381 O LEU A 147 5.564 10.957 -11.012 1.00 0.00 O ATOM 1382 CB LEU A 147 5.689 11.340 -7.714 1.00 0.00 C ATOM 1383 CG LEU A 147 7.067 10.666 -7.752 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.263 9.821 -6.492 1.00 0.00 C ATOM 1385 CD2 LEU A 147 7.187 9.780 -9.001 1.00 0.00 C ATOM 0 H LEU A 147 4.189 13.318 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 147 6.473 12.595 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.598 11.952 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.905 10.584 -7.666 1.00 0.00 H new ATOM 0 HG LEU A 147 7.838 11.435 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.243 9.344 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.198 10.460 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.488 9.056 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 147 8.169 9.306 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 147 6.414 9.012 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 147 7.064 10.392 -9.894 1.00 0.00 H new ATOM 1397 N ILE A 148 3.599 11.151 -10.033 1.00 0.00 N ATOM 1398 CA ILE A 148 2.913 10.338 -11.088 1.00 0.00 C ATOM 1399 C ILE A 148 1.763 11.136 -11.694 1.00 0.00 C ATOM 1400 O ILE A 148 1.164 11.980 -11.057 1.00 0.00 O ATOM 1401 CB ILE A 148 2.379 9.040 -10.467 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.391 9.357 -9.332 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.551 8.225 -9.908 1.00 0.00 C ATOM 1404 CD1 ILE A 148 0.772 8.056 -8.813 1.00 0.00 C ATOM 0 H ILE A 148 2.989 11.490 -9.289 1.00 0.00 H new ATOM 0 HA ILE A 148 3.626 10.094 -11.876 1.00 0.00 H new ATOM 0 HB ILE A 148 1.861 8.467 -11.236 1.00 0.00 H new ATOM 0 HG12 ILE A 148 1.905 9.875 -8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 148 0.609 10.025 -9.693 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.175 7.302 -9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.244 7.985 -10.714 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.068 8.808 -9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.072 8.282 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.243 7.556 -9.624 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.560 7.403 -8.436 1.00 0.00 H new ATOM 1416 N LYS A 149 1.458 10.867 -12.932 1.00 0.00 N ATOM 1417 CA LYS A 149 0.351 11.589 -13.622 1.00 0.00 C ATOM 1418 C LYS A 149 -0.935 10.763 -13.515 1.00 0.00 C ATOM 1419 O LYS A 149 -1.985 11.159 -13.980 1.00 0.00 O ATOM 1420 CB LYS A 149 0.727 11.779 -15.099 1.00 0.00 C ATOM 1421 CG LYS A 149 -0.147 12.874 -15.715 1.00 0.00 C ATOM 1422 CD LYS A 149 0.305 13.155 -17.148 1.00 0.00 C ATOM 1423 CE LYS A 149 -0.577 14.251 -17.750 1.00 0.00 C ATOM 1424 NZ LYS A 149 -0.112 14.560 -19.132 1.00 0.00 N ATOM 0 H LYS A 149 1.934 10.169 -13.503 1.00 0.00 H new ATOM 0 HA LYS A 149 0.191 12.562 -13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 149 1.780 12.049 -15.185 1.00 0.00 H new ATOM 0 HB3 LYS A 149 0.592 10.844 -15.642 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -1.192 12.564 -15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -0.080 13.784 -15.118 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.350 13.466 -17.158 1.00 0.00 H new ATOM 0 HD3 LYS A 149 0.237 12.247 -17.748 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -1.617 13.926 -17.769 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -0.534 15.148 -17.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -0.711 15.305 -19.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 0.875 14.887 -19.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -0.175 13.704 -19.719 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.851 9.611 -12.907 1.00 0.00 N ATOM 1439 CA ALA A 150 -2.056 8.740 -12.765 1.00 0.00 C ATOM 1440 C ALA A 150 -2.936 9.245 -11.618 1.00 0.00 C ATOM 1441 O ALA A 150 -2.551 10.109 -10.855 1.00 0.00 O ATOM 1442 CB ALA A 150 -1.610 7.307 -12.463 1.00 0.00 C ATOM 0 H ALA A 150 0.004 9.233 -12.500 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.627 8.765 -13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.487 6.668 -12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -0.988 6.940 -13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.037 7.292 -11.536 1.00 0.00 H new ATOM 1448 N MET A 151 -4.120 8.705 -11.499 1.00 0.00 N ATOM 1449 CA MET A 151 -5.050 9.135 -10.410 1.00 0.00 C ATOM 1450 C MET A 151 -5.857 7.925 -9.921 1.00 0.00 C ATOM 1451 O MET A 151 -7.072 7.928 -9.955 1.00 0.00 O ATOM 1452 CB MET A 151 -6.011 10.200 -10.949 1.00 0.00 C ATOM 1453 CG MET A 151 -6.744 10.868 -9.781 1.00 0.00 C ATOM 1454 SD MET A 151 -5.637 12.053 -8.975 1.00 0.00 S ATOM 1455 CE MET A 151 -6.478 12.112 -7.373 1.00 0.00 C ATOM 0 H MET A 151 -4.487 7.979 -12.114 1.00 0.00 H new ATOM 0 HA MET A 151 -4.473 9.549 -9.583 1.00 0.00 H new ATOM 0 HB2 MET A 151 -5.459 10.947 -11.520 1.00 0.00 H new ATOM 0 HB3 MET A 151 -6.730 9.745 -11.630 1.00 0.00 H new ATOM 0 HG2 MET A 151 -7.638 11.376 -10.141 1.00 0.00 H new ATOM 0 HG3 MET A 151 -7.072 10.115 -9.065 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.950 12.798 -6.710 1.00 0.00 H new ATOM 0 HE2 MET A 151 -7.502 12.458 -7.512 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.489 11.116 -6.931 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.183 6.897 -9.467 1.00 0.00 N ATOM 1466 CA PRO A 152 -5.845 5.658 -8.956 1.00 0.00 C ATOM 1467 C PRO A 152 -6.607 5.904 -7.647 1.00 0.00 C ATOM 1468 O PRO A 152 -6.249 6.752 -6.856 1.00 0.00 O ATOM 1469 CB PRO A 152 -4.676 4.680 -8.742 1.00 0.00 C ATOM 1470 CG PRO A 152 -3.481 5.553 -8.535 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.714 6.801 -9.391 1.00 0.00 C ATOM 0 HA PRO A 152 -6.597 5.281 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -4.851 4.037 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -4.544 4.027 -9.604 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.369 5.817 -7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -2.567 5.040 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.277 7.689 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.267 6.699 -10.380 1.00 0.00 H new