USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 34 MET CE :methyl -108:sc= -1.23 (180deg=-5.02!) USER MOD Set 1.2: A 59 TYR OH : rot 31:sc= -4.14! USER MOD Set 2.1: A 23 LYS NZ :NH3+ -143:sc= 0.263 (180deg=-0.455) USER MOD Set 2.2: A 79 GLN : amide:sc= 0.995 K(o=2.2,f=-7!) USER MOD Set 2.3: A 80 TYR OH : rot 153:sc= 0.905 USER MOD Single : A 15 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.072) USER MOD Single : A 18 ASN : amide:sc= -1.76! C(o=-1.8!,f=-4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 99:sc= 1.38 USER MOD Single : A 29 SER OG : rot -137:sc= 1.3 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.104) USER MOD Single : A 60 SER OG : rot -19:sc= 0.734 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= 0.0152 (180deg=0) USER MOD Single : A 66 TYR OH : rot -106:sc= 0.00481 USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -2.31! (180deg=-2.81!) USER MOD Single : A 69 ASN : amide:sc= 0.532 K(o=0.53,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot -80:sc= 0.79 USER MOD Single : A 78 THR OG1 : rot 73:sc= 0.406 USER MOD Single : A 81 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 84 SER OG : rot -160:sc= -0.448 USER MOD Single : A 87 THR OG1 : rot -61:sc= 1.3 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.2!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.045 (180deg=-0.321) USER MOD Single : A 99 SER OG : rot 68:sc= 0.0596 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -160:sc=-0.00172 USER MOD Single : A 110 THR OG1 : rot 71:sc= 0.381 USER MOD Single : A 112 SER OG : rot 80:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.152) USER MOD Single : A 116 TYR OH : rot 180:sc= -2.82! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -3.190 -3.993 -9.698 1.00 0.00 N ATOM 2 CA VAL A 14 -3.726 -2.624 -9.542 1.00 0.00 C ATOM 3 C VAL A 14 -3.494 -1.631 -10.702 1.00 0.00 C ATOM 4 O VAL A 14 -2.445 -1.572 -11.330 1.00 0.00 O ATOM 5 CB VAL A 14 -3.209 -2.087 -8.191 1.00 0.00 C ATOM 6 CG1 VAL A 14 -1.708 -1.827 -8.166 1.00 0.00 C ATOM 7 CG2 VAL A 14 -3.953 -0.842 -7.732 1.00 0.00 C ATOM 0 HA VAL A 14 -4.813 -2.707 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.412 -2.895 -7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.420 -1.451 -7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.174 -2.755 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.454 -1.088 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.548 -0.508 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.833 -0.052 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.012 -1.073 -7.616 1.00 0.00 H new ATOM 17 N GLN A 15 -4.618 -1.005 -11.032 1.00 0.00 N ATOM 18 CA GLN A 15 -4.715 0.226 -11.849 1.00 0.00 C ATOM 19 C GLN A 15 -5.563 1.244 -11.054 1.00 0.00 C ATOM 20 O GLN A 15 -6.487 1.892 -11.559 1.00 0.00 O ATOM 21 CB GLN A 15 -5.377 -0.038 -13.212 1.00 0.00 C ATOM 22 CG GLN A 15 -4.520 -0.874 -14.148 1.00 0.00 C ATOM 23 CD GLN A 15 -4.798 -2.363 -13.930 1.00 0.00 C ATOM 24 OE1 GLN A 15 -5.800 -2.901 -14.324 1.00 0.00 O ATOM 25 NE2 GLN A 15 -3.920 -3.099 -13.319 1.00 0.00 N ATOM 0 H GLN A 15 -5.531 -1.346 -10.731 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.712 0.604 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.329 -0.545 -13.053 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.600 0.916 -13.690 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.730 -0.605 -15.183 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.465 -0.664 -13.972 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.058 -2.680 -12.970 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.093 -4.096 -13.188 1.00 0.00 H new ATOM 34 N ASP A 16 -5.112 1.457 -9.809 1.00 0.00 N ATOM 35 CA ASP A 16 -5.838 2.162 -8.736 1.00 0.00 C ATOM 36 C ASP A 16 -7.072 1.336 -8.359 1.00 0.00 C ATOM 37 O ASP A 16 -8.111 1.388 -9.010 1.00 0.00 O ATOM 38 CB ASP A 16 -6.168 3.628 -9.058 1.00 0.00 C ATOM 39 CG ASP A 16 -6.859 4.366 -7.894 1.00 0.00 C ATOM 40 OD1 ASP A 16 -7.583 5.333 -8.205 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.633 3.964 -6.731 1.00 0.00 O ATOM 0 H ASP A 16 -4.194 1.130 -9.507 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.178 2.241 -7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.248 4.152 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.813 3.664 -9.936 1.00 0.00 H new ATOM 47 N VAL A 17 -6.943 0.707 -7.201 1.00 0.00 N ATOM 48 CA VAL A 17 -7.883 -0.331 -6.700 1.00 0.00 C ATOM 49 C VAL A 17 -9.319 0.197 -6.624 1.00 0.00 C ATOM 50 O VAL A 17 -10.223 -0.283 -7.304 1.00 0.00 O ATOM 51 CB VAL A 17 -7.514 -0.895 -5.303 1.00 0.00 C ATOM 52 CG1 VAL A 17 -8.096 -2.302 -5.173 1.00 0.00 C ATOM 53 CG2 VAL A 17 -6.023 -0.943 -4.974 1.00 0.00 C ATOM 0 H VAL A 17 -6.174 0.894 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.803 -1.138 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.940 -0.193 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.844 -2.711 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.180 -2.259 -5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.680 -2.941 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.884 -1.354 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.510 -1.574 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.609 0.065 -5.013 1.00 0.00 H new ATOM 63 N ASN A 18 -9.463 1.251 -5.824 1.00 0.00 N ATOM 64 CA ASN A 18 -10.750 1.876 -5.462 1.00 0.00 C ATOM 65 C ASN A 18 -11.663 0.811 -4.849 1.00 0.00 C ATOM 66 O ASN A 18 -11.203 -0.108 -4.167 1.00 0.00 O ATOM 67 CB ASN A 18 -11.328 2.641 -6.667 1.00 0.00 C ATOM 68 CG ASN A 18 -10.436 3.823 -7.074 1.00 0.00 C ATOM 69 OD1 ASN A 18 -9.782 4.481 -6.274 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.419 4.085 -8.360 1.00 0.00 N ATOM 0 H ASN A 18 -8.665 1.715 -5.391 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.628 2.639 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.437 1.960 -7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.325 3.006 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.851 4.854 -8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.974 3.520 -9.003 1.00 0.00 H new ATOM 77 N ASP A 19 -12.954 1.024 -5.007 1.00 0.00 N ATOM 78 CA ASP A 19 -13.969 0.028 -4.602 1.00 0.00 C ATOM 79 C ASP A 19 -14.131 -1.138 -5.604 1.00 0.00 C ATOM 80 O ASP A 19 -14.615 -2.195 -5.227 1.00 0.00 O ATOM 81 CB ASP A 19 -15.309 0.725 -4.362 1.00 0.00 C ATOM 82 CG ASP A 19 -15.252 1.547 -3.070 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.600 2.618 -3.101 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.882 1.102 -2.088 1.00 0.00 O ATOM 0 H ASP A 19 -13.342 1.876 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.613 -0.425 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.546 1.374 -5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.106 -0.016 -4.296 1.00 0.00 H new ATOM 90 N SER A 20 -13.538 -0.969 -6.789 1.00 0.00 N ATOM 91 CA SER A 20 -13.612 -1.948 -7.881 1.00 0.00 C ATOM 92 C SER A 20 -12.732 -3.158 -7.577 1.00 0.00 C ATOM 93 O SER A 20 -11.501 -3.100 -7.595 1.00 0.00 O ATOM 94 CB SER A 20 -13.203 -1.343 -9.233 1.00 0.00 C ATOM 95 OG SER A 20 -13.390 -2.331 -10.251 1.00 0.00 O ATOM 0 H SER A 20 -12.988 -0.142 -7.021 1.00 0.00 H new ATOM 0 HA SER A 20 -14.654 -2.260 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.803 -0.459 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.162 -1.022 -9.204 1.00 0.00 H new ATOM 0 HG SER A 20 -13.134 -1.958 -11.120 1.00 0.00 H new ATOM 101 N SER A 21 -13.446 -4.165 -7.078 1.00 0.00 N ATOM 102 CA SER A 21 -12.934 -5.486 -6.663 1.00 0.00 C ATOM 103 C SER A 21 -11.963 -5.488 -5.471 1.00 0.00 C ATOM 104 O SER A 21 -11.438 -6.542 -5.149 1.00 0.00 O ATOM 105 CB SER A 21 -12.308 -6.244 -7.843 1.00 0.00 C ATOM 106 OG SER A 21 -11.070 -5.640 -8.219 1.00 0.00 O ATOM 0 H SER A 21 -14.454 -4.085 -6.942 1.00 0.00 H new ATOM 0 HA SER A 21 -13.827 -6.002 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.144 -7.286 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.994 -6.242 -8.690 1.00 0.00 H new ATOM 0 HG SER A 21 -10.327 -6.147 -7.830 1.00 0.00 H new ATOM 112 N TRP A 22 -11.965 -4.413 -4.665 1.00 0.00 N ATOM 113 CA TRP A 22 -11.144 -4.303 -3.448 1.00 0.00 C ATOM 114 C TRP A 22 -11.202 -5.558 -2.548 1.00 0.00 C ATOM 115 O TRP A 22 -10.188 -6.194 -2.268 1.00 0.00 O ATOM 116 CB TRP A 22 -11.597 -3.024 -2.724 1.00 0.00 C ATOM 117 CG TRP A 22 -10.987 -2.857 -1.340 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.518 -3.390 -0.244 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.726 -2.399 -1.006 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.640 -3.342 0.754 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.518 -2.788 0.338 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.747 -1.645 -1.679 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.312 -2.480 1.007 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.548 -1.329 -1.023 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.332 -1.749 0.304 1.00 0.00 C ATOM 0 H TRP A 22 -12.541 -3.590 -4.841 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.090 -4.238 -3.716 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.335 -2.159 -3.334 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.683 -3.033 -2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.514 -3.801 -0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.809 -3.683 1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.917 -1.312 -2.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.146 -2.795 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.787 -0.761 -1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.399 -1.507 0.792 1.00 0.00 H new ATOM 136 N LYS A 23 -12.432 -6.045 -2.353 1.00 0.00 N ATOM 137 CA LYS A 23 -12.707 -7.224 -1.506 1.00 0.00 C ATOM 138 C LYS A 23 -12.294 -8.605 -2.060 1.00 0.00 C ATOM 139 O LYS A 23 -12.449 -9.632 -1.406 1.00 0.00 O ATOM 140 CB LYS A 23 -14.171 -7.204 -1.058 1.00 0.00 C ATOM 141 CG LYS A 23 -14.312 -6.079 -0.033 1.00 0.00 C ATOM 142 CD LYS A 23 -15.765 -5.907 0.399 1.00 0.00 C ATOM 143 CE LYS A 23 -15.875 -4.777 1.422 1.00 0.00 C ATOM 144 NZ LYS A 23 -15.524 -3.498 0.779 1.00 0.00 N ATOM 0 H LYS A 23 -13.267 -5.638 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.037 -7.113 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.832 -7.035 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.453 -8.162 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.694 -6.297 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.944 -5.146 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.387 -5.686 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.138 -6.836 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.888 -4.730 1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.210 -4.968 2.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.002 -2.903 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.930 -3.680 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.393 -3.008 0.485 1.00 0.00 H new ATOM 158 N GLU A 24 -11.710 -8.569 -3.251 1.00 0.00 N ATOM 159 CA GLU A 24 -11.084 -9.727 -3.912 1.00 0.00 C ATOM 160 C GLU A 24 -9.597 -9.462 -4.150 1.00 0.00 C ATOM 161 O GLU A 24 -8.769 -9.906 -3.371 1.00 0.00 O ATOM 162 CB GLU A 24 -11.777 -10.053 -5.239 1.00 0.00 C ATOM 163 CG GLU A 24 -13.171 -10.572 -4.921 1.00 0.00 C ATOM 164 CD GLU A 24 -14.256 -9.597 -5.373 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.456 -8.587 -4.649 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.819 -9.833 -6.460 1.00 0.00 O ATOM 0 H GLU A 24 -11.653 -7.715 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.194 -10.587 -3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.835 -9.165 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.209 -10.800 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.321 -11.535 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.259 -10.742 -3.848 1.00 0.00 H new ATOM 174 N PHE A 25 -9.379 -8.372 -4.883 1.00 0.00 N ATOM 175 CA PHE A 25 -8.063 -7.830 -5.276 1.00 0.00 C ATOM 176 C PHE A 25 -7.049 -7.699 -4.132 1.00 0.00 C ATOM 177 O PHE A 25 -5.894 -8.116 -4.240 1.00 0.00 O ATOM 178 CB PHE A 25 -8.307 -6.434 -5.840 1.00 0.00 C ATOM 179 CG PHE A 25 -8.057 -6.290 -7.336 1.00 0.00 C ATOM 180 CD1 PHE A 25 -8.534 -7.240 -8.271 1.00 0.00 C ATOM 181 CD2 PHE A 25 -7.400 -5.112 -7.766 1.00 0.00 C ATOM 182 CE1 PHE A 25 -8.374 -6.986 -9.652 1.00 0.00 C ATOM 183 CE2 PHE A 25 -7.218 -4.875 -9.141 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.710 -5.806 -10.069 1.00 0.00 C ATOM 0 H PHE A 25 -10.150 -7.808 -5.241 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.630 -8.533 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.338 -6.149 -5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.667 -5.728 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.014 -8.147 -7.933 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.040 -4.397 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -8.754 -7.685 -10.382 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.705 -3.986 -9.479 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.579 -5.619 -11.125 1.00 0.00 H new ATOM 194 N VAL A 26 -7.601 -7.329 -2.994 1.00 0.00 N ATOM 195 CA VAL A 26 -6.853 -7.046 -1.765 1.00 0.00 C ATOM 196 C VAL A 26 -7.271 -8.006 -0.636 1.00 0.00 C ATOM 197 O VAL A 26 -6.411 -8.469 0.112 1.00 0.00 O ATOM 198 CB VAL A 26 -6.985 -5.567 -1.347 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.093 -5.244 -0.132 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.555 -4.625 -2.471 1.00 0.00 C ATOM 0 H VAL A 26 -8.608 -7.211 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.796 -7.219 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.037 -5.419 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.210 -4.194 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.387 -5.869 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.051 -5.440 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.661 -3.592 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.514 -4.818 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.183 -4.792 -3.346 1.00 0.00 H new ATOM 210 N LEU A 27 -8.567 -8.296 -0.511 1.00 0.00 N ATOM 211 CA LEU A 27 -8.984 -9.221 0.554 1.00 0.00 C ATOM 212 C LEU A 27 -8.641 -10.688 0.277 1.00 0.00 C ATOM 213 O LEU A 27 -8.058 -11.330 1.155 1.00 0.00 O ATOM 214 CB LEU A 27 -10.438 -8.988 0.994 1.00 0.00 C ATOM 215 CG LEU A 27 -10.536 -7.838 1.998 1.00 0.00 C ATOM 216 CD1 LEU A 27 -10.282 -6.459 1.385 1.00 0.00 C ATOM 217 CD2 LEU A 27 -11.924 -7.850 2.655 1.00 0.00 C ATOM 0 H LEU A 27 -9.315 -7.928 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.370 -8.973 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.053 -8.766 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.836 -9.899 1.441 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.748 -8.003 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.369 -5.696 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.280 -6.430 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.016 -6.268 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.995 -7.031 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.690 -7.730 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.074 -8.798 3.172 1.00 0.00 H new ATOM 229 N GLU A 28 -8.803 -11.126 -0.971 1.00 0.00 N ATOM 230 CA GLU A 28 -8.447 -12.512 -1.384 1.00 0.00 C ATOM 231 C GLU A 28 -7.900 -12.625 -2.816 1.00 0.00 C ATOM 232 O GLU A 28 -8.656 -12.765 -3.785 1.00 0.00 O ATOM 233 CB GLU A 28 -9.598 -13.501 -1.141 1.00 0.00 C ATOM 234 CG GLU A 28 -9.540 -14.140 0.247 1.00 0.00 C ATOM 235 CD GLU A 28 -8.295 -15.005 0.426 1.00 0.00 C ATOM 236 OE1 GLU A 28 -7.299 -14.475 0.964 1.00 0.00 O ATOM 237 OE2 GLU A 28 -8.323 -16.158 -0.063 1.00 0.00 O ATOM 0 H GLU A 28 -9.178 -10.551 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.618 -12.792 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.549 -12.982 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.566 -14.284 -1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.551 -13.359 1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.430 -14.749 0.403 1.00 0.00 H new ATOM 245 N SER A 29 -6.596 -12.433 -2.914 1.00 0.00 N ATOM 246 CA SER A 29 -5.854 -12.566 -4.199 1.00 0.00 C ATOM 247 C SER A 29 -4.743 -13.621 -4.109 1.00 0.00 C ATOM 248 O SER A 29 -5.005 -14.805 -4.256 1.00 0.00 O ATOM 249 CB SER A 29 -5.405 -11.192 -4.716 1.00 0.00 C ATOM 250 OG SER A 29 -4.639 -10.492 -3.732 1.00 0.00 O ATOM 0 H SER A 29 -6.006 -12.181 -2.121 1.00 0.00 H new ATOM 0 HA SER A 29 -6.530 -12.953 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.811 -11.318 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.279 -10.600 -4.989 1.00 0.00 H new ATOM 0 HG SER A 29 -4.924 -9.555 -3.701 1.00 0.00 H new ATOM 256 N GLU A 30 -3.553 -13.186 -3.690 1.00 0.00 N ATOM 257 CA GLU A 30 -2.392 -14.056 -3.430 1.00 0.00 C ATOM 258 C GLU A 30 -2.377 -14.603 -1.976 1.00 0.00 C ATOM 259 O GLU A 30 -1.701 -15.578 -1.678 1.00 0.00 O ATOM 260 CB GLU A 30 -1.133 -13.240 -3.738 1.00 0.00 C ATOM 261 CG GLU A 30 0.175 -14.025 -3.650 1.00 0.00 C ATOM 262 CD GLU A 30 1.342 -13.177 -4.141 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.676 -13.329 -5.339 1.00 0.00 O ATOM 264 OE2 GLU A 30 1.770 -12.300 -3.372 1.00 0.00 O ATOM 0 H GLU A 30 -3.360 -12.200 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.442 -14.938 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.224 -12.823 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.083 -12.399 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.351 -14.335 -2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.101 -14.933 -4.248 1.00 0.00 H new ATOM 272 N VAL A 31 -3.367 -14.107 -1.235 1.00 0.00 N ATOM 273 CA VAL A 31 -3.629 -14.237 0.216 1.00 0.00 C ATOM 274 C VAL A 31 -2.814 -13.208 1.052 1.00 0.00 C ATOM 275 O VAL A 31 -3.477 -12.275 1.518 1.00 0.00 O ATOM 276 CB VAL A 31 -3.751 -15.674 0.765 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.231 -15.673 2.211 1.00 0.00 C ATOM 278 CG2 VAL A 31 -4.772 -16.477 -0.067 1.00 0.00 C ATOM 0 H VAL A 31 -4.091 -13.540 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.666 -13.933 0.362 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.762 -16.127 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.307 -16.699 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.521 -15.124 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.209 -15.195 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.849 -17.489 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.746 -15.991 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.443 -16.519 -1.105 1.00 0.00 H new ATOM 288 N PRO A 32 -1.472 -13.253 1.195 1.00 0.00 N ATOM 289 CA PRO A 32 -0.727 -12.143 1.810 1.00 0.00 C ATOM 290 C PRO A 32 -0.735 -10.998 0.794 1.00 0.00 C ATOM 291 O PRO A 32 -0.404 -11.169 -0.383 1.00 0.00 O ATOM 292 CB PRO A 32 0.696 -12.635 2.040 1.00 0.00 C ATOM 293 CG PRO A 32 0.598 -14.149 1.913 1.00 0.00 C ATOM 294 CD PRO A 32 -0.523 -14.354 0.899 1.00 0.00 C ATOM 0 HA PRO A 32 -1.156 -11.809 2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.384 -12.218 1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.064 -12.342 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.536 -14.583 1.567 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.364 -14.617 2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.152 -14.298 -0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.994 -15.330 1.015 1.00 0.00 H new ATOM 302 N VAL A 33 -1.340 -9.899 1.215 1.00 0.00 N ATOM 303 CA VAL A 33 -1.548 -8.729 0.341 1.00 0.00 C ATOM 304 C VAL A 33 -1.032 -7.452 1.009 1.00 0.00 C ATOM 305 O VAL A 33 -1.233 -7.221 2.209 1.00 0.00 O ATOM 306 CB VAL A 33 -3.041 -8.626 -0.054 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.266 -7.511 -1.066 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.585 -9.913 -0.689 1.00 0.00 C ATOM 0 H VAL A 33 -1.702 -9.781 2.161 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.972 -8.856 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.566 -8.430 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.324 -7.462 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.954 -6.560 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.682 -7.711 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.636 -9.777 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.019 -10.140 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.486 -10.737 0.018 1.00 0.00 H new ATOM 318 N MET A 34 -0.444 -6.604 0.172 1.00 0.00 N ATOM 319 CA MET A 34 0.109 -5.307 0.570 1.00 0.00 C ATOM 320 C MET A 34 -0.629 -4.188 -0.168 1.00 0.00 C ATOM 321 O MET A 34 -0.764 -4.193 -1.389 1.00 0.00 O ATOM 322 CB MET A 34 1.603 -5.271 0.251 1.00 0.00 C ATOM 323 CG MET A 34 2.284 -3.935 0.537 1.00 0.00 C ATOM 324 SD MET A 34 4.094 -3.979 0.299 1.00 0.00 S ATOM 325 CE MET A 34 4.577 -5.016 1.669 1.00 0.00 C ATOM 0 H MET A 34 -0.334 -6.800 -0.823 1.00 0.00 H new ATOM 0 HA MET A 34 -0.022 -5.162 1.642 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.103 -6.049 0.828 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.742 -5.516 -0.802 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.858 -3.172 -0.114 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.067 -3.637 1.563 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.073 -4.410 2.427 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.692 -5.484 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.261 -5.788 1.317 1.00 0.00 H new ATOM 335 N VAL A 35 -1.089 -3.238 0.623 1.00 0.00 N ATOM 336 CA VAL A 35 -1.755 -2.041 0.077 1.00 0.00 C ATOM 337 C VAL A 35 -1.230 -0.738 0.695 1.00 0.00 C ATOM 338 O VAL A 35 -1.082 -0.619 1.913 1.00 0.00 O ATOM 339 CB VAL A 35 -3.275 -2.202 0.176 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.774 -2.274 1.621 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.975 -1.058 -0.563 1.00 0.00 C ATOM 0 H VAL A 35 -1.021 -3.258 1.641 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.504 -1.955 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.522 -3.154 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.858 -2.388 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.317 -3.128 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.503 -1.358 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.055 -1.182 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.687 -0.106 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.682 -1.070 -1.613 1.00 0.00 H new ATOM 351 N ASP A 36 -0.864 0.165 -0.206 1.00 0.00 N ATOM 352 CA ASP A 36 -0.484 1.547 0.160 1.00 0.00 C ATOM 353 C ASP A 36 -1.624 2.545 -0.059 1.00 0.00 C ATOM 354 O ASP A 36 -2.364 2.466 -1.048 1.00 0.00 O ATOM 355 CB ASP A 36 0.783 2.001 -0.584 1.00 0.00 C ATOM 356 CG ASP A 36 0.622 2.178 -2.091 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.390 3.335 -2.515 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.784 1.156 -2.784 1.00 0.00 O ATOM 0 H ASP A 36 -0.818 -0.026 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.267 1.531 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.117 2.946 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.573 1.272 -0.402 1.00 0.00 H new ATOM 364 N PHE A 37 -1.700 3.489 0.869 1.00 0.00 N ATOM 365 CA PHE A 37 -2.703 4.567 0.870 1.00 0.00 C ATOM 366 C PHE A 37 -2.037 5.943 0.838 1.00 0.00 C ATOM 367 O PHE A 37 -1.265 6.292 1.738 1.00 0.00 O ATOM 368 CB PHE A 37 -3.571 4.539 2.139 1.00 0.00 C ATOM 369 CG PHE A 37 -4.564 3.372 2.174 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.147 2.034 2.326 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.937 3.682 1.989 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.086 0.994 2.236 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.880 2.633 1.918 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.447 1.293 2.012 1.00 0.00 C ATOM 0 H PHE A 37 -1.058 3.536 1.661 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.313 4.402 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.922 4.480 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.122 5.477 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.107 1.809 2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.257 4.710 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.767 -0.033 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.929 2.856 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.163 0.490 1.912 1.00 0.00 H new ATOM 384 N TRP A 38 -2.363 6.697 -0.204 1.00 0.00 N ATOM 385 CA TRP A 38 -1.866 8.067 -0.387 1.00 0.00 C ATOM 386 C TRP A 38 -3.013 9.047 -0.690 1.00 0.00 C ATOM 387 O TRP A 38 -4.029 8.680 -1.293 1.00 0.00 O ATOM 388 CB TRP A 38 -0.756 8.126 -1.445 1.00 0.00 C ATOM 389 CG TRP A 38 -1.299 8.085 -2.880 1.00 0.00 C ATOM 390 CD1 TRP A 38 -1.975 7.066 -3.377 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.582 9.192 -3.668 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.672 7.441 -4.450 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.495 8.736 -4.643 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.337 10.578 -3.505 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.207 9.651 -5.436 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.045 11.483 -4.307 1.00 0.00 C ATOM 397 CH2 TRP A 38 -2.971 11.035 -5.276 1.00 0.00 C ATOM 0 H TRP A 38 -2.981 6.381 -0.952 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.420 8.385 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.177 9.039 -1.307 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.073 7.290 -1.296 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.965 6.066 -2.970 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.248 6.828 -5.027 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.620 10.929 -2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.927 9.300 -6.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.880 12.543 -4.182 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.497 11.749 -5.893 1.00 0.00 H new ATOM 408 N ALA A 39 -2.753 10.315 -0.392 1.00 0.00 N ATOM 409 CA ALA A 39 -3.747 11.394 -0.503 1.00 0.00 C ATOM 410 C ALA A 39 -3.111 12.607 -1.189 1.00 0.00 C ATOM 411 O ALA A 39 -1.924 12.839 -0.989 1.00 0.00 O ATOM 412 CB ALA A 39 -4.195 11.743 0.924 1.00 0.00 C ATOM 0 H ALA A 39 -1.841 10.633 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.605 11.087 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.935 12.542 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.634 10.863 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.334 12.072 1.505 1.00 0.00 H new ATOM 418 N PRO A 40 -3.859 13.361 -2.025 1.00 0.00 N ATOM 419 CA PRO A 40 -3.306 14.566 -2.672 1.00 0.00 C ATOM 420 C PRO A 40 -2.945 15.677 -1.674 1.00 0.00 C ATOM 421 O PRO A 40 -1.854 16.237 -1.746 1.00 0.00 O ATOM 422 CB PRO A 40 -4.369 14.986 -3.692 1.00 0.00 C ATOM 423 CG PRO A 40 -5.664 14.367 -3.175 1.00 0.00 C ATOM 424 CD PRO A 40 -5.230 13.070 -2.481 1.00 0.00 C ATOM 0 HA PRO A 40 -2.351 14.359 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.447 16.071 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.126 14.622 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.172 15.036 -2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.359 14.166 -3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.886 12.823 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.253 12.222 -3.166 1.00 0.00 H new ATOM 432 N TRP A 41 -3.767 15.818 -0.641 1.00 0.00 N ATOM 433 CA TRP A 41 -3.541 16.732 0.507 1.00 0.00 C ATOM 434 C TRP A 41 -2.354 16.370 1.422 1.00 0.00 C ATOM 435 O TRP A 41 -1.901 17.192 2.211 1.00 0.00 O ATOM 436 CB TRP A 41 -4.853 16.903 1.279 1.00 0.00 C ATOM 437 CG TRP A 41 -5.629 15.598 1.486 1.00 0.00 C ATOM 438 CD1 TRP A 41 -6.739 15.264 0.824 1.00 0.00 C ATOM 439 CD2 TRP A 41 -5.477 14.688 2.529 1.00 0.00 C ATOM 440 NE1 TRP A 41 -7.327 14.222 1.421 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.603 13.848 2.470 1.00 0.00 C ATOM 442 CE3 TRP A 41 -4.476 14.497 3.489 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -6.766 12.804 3.403 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -4.625 13.434 4.416 1.00 0.00 C ATOM 445 CH2 TRP A 41 -5.771 12.614 4.382 1.00 0.00 C ATOM 0 H TRP A 41 -4.637 15.292 -0.563 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.232 17.689 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.635 17.342 2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.487 17.610 0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.107 15.761 -0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.196 13.783 1.118 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.611 15.143 3.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.635 12.164 3.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.856 13.252 5.152 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.888 11.830 5.116 1.00 0.00 H new ATOM 456 N CYS A 42 -1.784 15.191 1.182 1.00 0.00 N ATOM 457 CA CYS A 42 -0.598 14.677 1.877 1.00 0.00 C ATOM 458 C CYS A 42 0.706 15.140 1.184 1.00 0.00 C ATOM 459 O CYS A 42 1.791 15.016 1.749 1.00 0.00 O ATOM 460 CB CYS A 42 -0.781 13.161 1.873 1.00 0.00 C ATOM 461 SG CYS A 42 0.481 12.099 2.659 1.00 0.00 S ATOM 0 H CYS A 42 -2.143 14.545 0.478 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.504 15.055 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.735 12.946 2.355 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.871 12.846 0.833 1.00 0.00 H new ATOM 466 N GLY A 43 0.581 15.662 -0.040 1.00 0.00 N ATOM 467 CA GLY A 43 1.693 16.126 -0.879 1.00 0.00 C ATOM 468 C GLY A 43 2.114 15.013 -1.859 1.00 0.00 C ATOM 469 O GLY A 43 1.237 14.273 -2.322 1.00 0.00 O ATOM 0 H GLY A 43 -0.327 15.778 -0.490 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.395 17.016 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.539 16.409 -0.252 1.00 0.00 H new ATOM 473 N PRO A 44 3.420 14.819 -2.082 1.00 0.00 N ATOM 474 CA PRO A 44 3.930 13.783 -3.010 1.00 0.00 C ATOM 475 C PRO A 44 3.933 12.369 -2.397 1.00 0.00 C ATOM 476 O PRO A 44 4.766 11.522 -2.727 1.00 0.00 O ATOM 477 CB PRO A 44 5.351 14.266 -3.329 1.00 0.00 C ATOM 478 CG PRO A 44 5.801 14.900 -2.023 1.00 0.00 C ATOM 479 CD PRO A 44 4.535 15.602 -1.514 1.00 0.00 C ATOM 0 HA PRO A 44 3.299 13.679 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.001 13.441 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.358 14.984 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.158 14.152 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.617 15.606 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.498 15.612 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.498 16.640 -1.843 1.00 0.00 H new ATOM 487 N CYS A 45 2.829 12.054 -1.719 1.00 0.00 N ATOM 488 CA CYS A 45 2.638 10.773 -1.010 1.00 0.00 C ATOM 489 C CYS A 45 2.582 9.522 -1.886 1.00 0.00 C ATOM 490 O CYS A 45 3.015 8.465 -1.453 1.00 0.00 O ATOM 491 CB CYS A 45 1.471 10.861 -0.027 1.00 0.00 C ATOM 492 SG CYS A 45 1.970 12.059 1.264 1.00 0.00 S ATOM 0 H CYS A 45 2.030 12.683 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 45 3.559 10.627 -0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.563 11.190 -0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.257 9.886 0.410 1.00 0.00 H new ATOM 497 N LYS A 46 2.382 9.784 -3.180 1.00 0.00 N ATOM 498 CA LYS A 46 2.394 8.787 -4.268 1.00 0.00 C ATOM 499 C LYS A 46 3.678 7.939 -4.287 1.00 0.00 C ATOM 500 O LYS A 46 3.642 6.776 -4.663 1.00 0.00 O ATOM 501 CB LYS A 46 2.236 9.571 -5.566 1.00 0.00 C ATOM 502 CG LYS A 46 1.099 9.023 -6.432 1.00 0.00 C ATOM 503 CD LYS A 46 1.470 7.672 -7.040 1.00 0.00 C ATOM 504 CE LYS A 46 0.375 7.222 -8.003 1.00 0.00 C ATOM 505 NZ LYS A 46 0.772 5.896 -8.491 1.00 0.00 N ATOM 0 H LYS A 46 2.200 10.729 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 46 1.584 8.071 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.044 10.619 -5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.169 9.534 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.197 8.918 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.870 9.732 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.421 7.748 -7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.601 6.931 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.591 7.177 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.272 7.925 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.055 5.542 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.689 5.965 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.854 5.241 -7.688 1.00 0.00 H new ATOM 519 N LEU A 47 4.771 8.520 -3.787 1.00 0.00 N ATOM 520 CA LEU A 47 6.083 7.890 -3.571 1.00 0.00 C ATOM 521 C LEU A 47 6.017 6.474 -2.977 1.00 0.00 C ATOM 522 O LEU A 47 6.761 5.569 -3.370 1.00 0.00 O ATOM 523 CB LEU A 47 6.814 8.817 -2.597 1.00 0.00 C ATOM 524 CG LEU A 47 8.141 9.367 -3.153 1.00 0.00 C ATOM 525 CD1 LEU A 47 9.188 8.265 -3.266 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.949 10.135 -4.471 1.00 0.00 C ATOM 0 H LEU A 47 4.768 9.500 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 47 6.584 7.767 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.161 9.652 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.013 8.276 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 47 8.517 10.097 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.114 8.682 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.374 7.837 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.826 7.486 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.913 10.502 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.520 9.470 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.278 10.978 -4.307 1.00 0.00 H new ATOM 538 N ILE A 48 5.101 6.300 -2.026 1.00 0.00 N ATOM 539 CA ILE A 48 4.855 4.997 -1.373 1.00 0.00 C ATOM 540 C ILE A 48 4.435 3.870 -2.334 1.00 0.00 C ATOM 541 O ILE A 48 4.848 2.729 -2.131 1.00 0.00 O ATOM 542 CB ILE A 48 3.886 5.071 -0.179 1.00 0.00 C ATOM 543 CG1 ILE A 48 2.514 5.637 -0.564 1.00 0.00 C ATOM 544 CG2 ILE A 48 4.565 5.844 0.965 1.00 0.00 C ATOM 545 CD1 ILE A 48 1.425 5.355 0.470 1.00 0.00 C ATOM 0 H ILE A 48 4.504 7.052 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 48 5.839 4.733 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 48 3.670 4.061 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.601 6.715 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.212 5.215 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.887 5.903 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.477 5.327 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.812 6.851 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.482 5.784 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.310 4.278 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.705 5.801 1.424 1.00 0.00 H new ATOM 557 N ALA A 49 3.716 4.192 -3.410 1.00 0.00 N ATOM 558 CA ALA A 49 3.312 3.184 -4.425 1.00 0.00 C ATOM 559 C ALA A 49 4.461 2.448 -5.141 1.00 0.00 C ATOM 560 O ALA A 49 4.469 1.214 -5.128 1.00 0.00 O ATOM 561 CB ALA A 49 2.228 3.763 -5.344 1.00 0.00 C ATOM 0 H ALA A 49 3.395 5.139 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 49 2.865 2.354 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.940 3.015 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.357 4.040 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.616 4.646 -5.853 1.00 0.00 H new ATOM 567 N PRO A 50 5.491 3.165 -5.631 1.00 0.00 N ATOM 568 CA PRO A 50 6.739 2.573 -6.141 1.00 0.00 C ATOM 569 C PRO A 50 7.452 1.764 -5.062 1.00 0.00 C ATOM 570 O PRO A 50 7.777 0.602 -5.298 1.00 0.00 O ATOM 571 CB PRO A 50 7.590 3.768 -6.560 1.00 0.00 C ATOM 572 CG PRO A 50 6.564 4.803 -6.998 1.00 0.00 C ATOM 573 CD PRO A 50 5.395 4.564 -6.041 1.00 0.00 C ATOM 0 HA PRO A 50 6.552 1.882 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.201 4.134 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.271 3.510 -7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.954 5.817 -6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.268 4.662 -8.038 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.454 5.228 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.442 4.763 -6.532 1.00 0.00 H new ATOM 581 N VAL A 51 7.584 2.316 -3.850 1.00 0.00 N ATOM 582 CA VAL A 51 8.155 1.587 -2.679 1.00 0.00 C ATOM 583 C VAL A 51 7.464 0.235 -2.447 1.00 0.00 C ATOM 584 O VAL A 51 8.117 -0.807 -2.536 1.00 0.00 O ATOM 585 CB VAL A 51 8.145 2.536 -1.453 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.403 1.840 -0.111 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.153 3.673 -1.639 1.00 0.00 C ATOM 0 H VAL A 51 7.304 3.274 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 51 9.192 1.315 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 51 7.130 2.930 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.379 2.577 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.633 1.088 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.381 1.359 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.129 4.327 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.154 3.257 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.895 4.246 -2.529 1.00 0.00 H new ATOM 597 N ILE A 52 6.127 0.244 -2.431 1.00 0.00 N ATOM 598 CA ILE A 52 5.310 -0.970 -2.282 1.00 0.00 C ATOM 599 C ILE A 52 5.466 -1.954 -3.445 1.00 0.00 C ATOM 600 O ILE A 52 5.673 -3.142 -3.224 1.00 0.00 O ATOM 601 CB ILE A 52 3.861 -0.494 -1.968 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.636 -0.290 -0.462 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.734 -1.387 -2.502 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.588 0.721 0.185 1.00 0.00 C ATOM 0 H ILE A 52 5.576 1.098 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 52 5.654 -1.586 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 52 3.799 0.451 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.610 0.040 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.745 -1.250 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.770 -0.960 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.804 -1.451 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.826 -2.385 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.362 0.805 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.617 0.384 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.464 1.694 -0.291 1.00 0.00 H new ATOM 616 N ASP A 53 5.571 -1.398 -4.649 1.00 0.00 N ATOM 617 CA ASP A 53 5.796 -2.186 -5.877 1.00 0.00 C ATOM 618 C ASP A 53 7.148 -2.917 -5.831 1.00 0.00 C ATOM 619 O ASP A 53 7.264 -4.104 -6.133 1.00 0.00 O ATOM 620 CB ASP A 53 5.728 -1.269 -7.084 1.00 0.00 C ATOM 621 CG ASP A 53 5.497 -2.055 -8.374 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.352 -2.519 -8.510 1.00 0.00 O ATOM 623 OD2 ASP A 53 6.448 -2.137 -9.178 1.00 0.00 O ATOM 0 H ASP A 53 5.504 -0.393 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 53 5.016 -2.944 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.923 -0.547 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.655 -0.702 -7.164 1.00 0.00 H new ATOM 629 N GLU A 54 8.119 -2.199 -5.310 1.00 0.00 N ATOM 630 CA GLU A 54 9.485 -2.691 -5.106 1.00 0.00 C ATOM 631 C GLU A 54 9.599 -3.787 -4.043 1.00 0.00 C ATOM 632 O GLU A 54 10.244 -4.802 -4.271 1.00 0.00 O ATOM 633 CB GLU A 54 10.415 -1.553 -4.691 1.00 0.00 C ATOM 634 CG GLU A 54 10.698 -0.572 -5.836 1.00 0.00 C ATOM 635 CD GLU A 54 11.301 0.724 -5.311 1.00 0.00 C ATOM 636 OE1 GLU A 54 10.567 1.738 -5.295 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.497 0.699 -4.950 1.00 0.00 O ATOM 0 H GLU A 54 7.989 -1.234 -5.006 1.00 0.00 H new ATOM 0 HA GLU A 54 9.774 -3.115 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.970 -1.012 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.357 -1.970 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.380 -1.031 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.773 -0.356 -6.371 1.00 0.00 H new ATOM 645 N LEU A 55 8.843 -3.613 -2.962 1.00 0.00 N ATOM 646 CA LEU A 55 8.765 -4.633 -1.893 1.00 0.00 C ATOM 647 C LEU A 55 8.331 -6.022 -2.367 1.00 0.00 C ATOM 648 O LEU A 55 8.920 -7.020 -1.967 1.00 0.00 O ATOM 649 CB LEU A 55 7.856 -4.111 -0.767 1.00 0.00 C ATOM 650 CG LEU A 55 8.426 -2.892 -0.029 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.426 -2.390 1.020 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.778 -3.172 0.647 1.00 0.00 C ATOM 0 H LEU A 55 8.274 -2.783 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 55 9.779 -4.782 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.885 -3.849 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.686 -4.913 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 55 8.596 -2.127 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.843 -1.525 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.496 -2.105 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.228 -3.182 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.126 -2.271 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.661 -3.973 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.507 -3.471 -0.107 1.00 0.00 H new ATOM 664 N ALA A 56 7.585 -6.011 -3.466 1.00 0.00 N ATOM 665 CA ALA A 56 7.058 -7.227 -4.130 1.00 0.00 C ATOM 666 C ALA A 56 8.179 -8.134 -4.679 1.00 0.00 C ATOM 667 O ALA A 56 8.113 -9.358 -4.551 1.00 0.00 O ATOM 668 CB ALA A 56 6.143 -6.807 -5.275 1.00 0.00 C ATOM 0 H ALA A 56 7.317 -5.148 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 56 6.512 -7.803 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.750 -7.694 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.317 -6.215 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.708 -6.211 -5.992 1.00 0.00 H new ATOM 674 N LYS A 57 9.149 -7.523 -5.347 1.00 0.00 N ATOM 675 CA LYS A 57 10.337 -8.291 -5.801 1.00 0.00 C ATOM 676 C LYS A 57 11.434 -8.473 -4.774 1.00 0.00 C ATOM 677 O LYS A 57 12.172 -9.453 -4.863 1.00 0.00 O ATOM 678 CB LYS A 57 10.998 -7.765 -7.069 1.00 0.00 C ATOM 679 CG LYS A 57 11.047 -6.255 -7.029 1.00 0.00 C ATOM 680 CD LYS A 57 10.645 -5.929 -8.433 1.00 0.00 C ATOM 681 CE LYS A 57 10.257 -4.496 -8.239 1.00 0.00 C ATOM 682 NZ LYS A 57 9.100 -4.530 -9.106 1.00 0.00 N ATOM 0 H LYS A 57 9.155 -6.532 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 57 9.870 -9.256 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.006 -8.169 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.442 -8.097 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.359 -5.838 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.041 -5.879 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.462 -6.051 -9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.819 -6.545 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.016 -4.249 -7.205 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.022 -3.792 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.731 -3.566 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.371 -4.920 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.364 -5.129 -8.680 1.00 0.00 H new ATOM 696 N GLU A 58 11.445 -7.564 -3.799 1.00 0.00 N ATOM 697 CA GLU A 58 12.382 -7.576 -2.669 1.00 0.00 C ATOM 698 C GLU A 58 12.194 -8.915 -1.936 1.00 0.00 C ATOM 699 O GLU A 58 13.086 -9.759 -1.980 1.00 0.00 O ATOM 700 CB GLU A 58 12.050 -6.350 -1.816 1.00 0.00 C ATOM 701 CG GLU A 58 13.184 -5.968 -0.879 1.00 0.00 C ATOM 702 CD GLU A 58 12.817 -4.775 0.007 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.603 -5.010 1.227 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.805 -3.638 -0.521 1.00 0.00 O ATOM 0 H GLU A 58 10.791 -6.782 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 58 13.432 -7.510 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.824 -5.507 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.152 -6.550 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.439 -6.822 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.072 -5.726 -1.463 1.00 0.00 H new ATOM 712 N TYR A 59 10.973 -9.175 -1.479 1.00 0.00 N ATOM 713 CA TYR A 59 10.593 -10.536 -1.037 1.00 0.00 C ATOM 714 C TYR A 59 9.661 -11.144 -2.082 1.00 0.00 C ATOM 715 O TYR A 59 8.447 -10.938 -2.094 1.00 0.00 O ATOM 716 CB TYR A 59 10.049 -10.687 0.389 1.00 0.00 C ATOM 717 CG TYR A 59 9.461 -9.427 1.004 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.151 -8.996 0.705 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.392 -8.637 1.708 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.776 -7.697 1.086 1.00 0.00 C ATOM 721 CE2 TYR A 59 10.010 -7.340 2.077 1.00 0.00 C ATOM 722 CZ TYR A 59 8.724 -6.888 1.752 1.00 0.00 C ATOM 723 OH TYR A 59 8.517 -5.558 1.876 1.00 0.00 O ATOM 0 H TYR A 59 10.230 -8.480 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 59 11.527 -11.093 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.281 -11.461 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.856 -11.041 1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.455 -9.647 0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.371 -9.020 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.785 -7.325 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.698 -6.697 2.605 1.00 0.00 H new ATOM 0 HH TYR A 59 7.555 -5.380 1.927 1.00 0.00 H new ATOM 733 N SER A 60 10.383 -11.543 -3.130 1.00 0.00 N ATOM 734 CA SER A 60 9.859 -12.180 -4.353 1.00 0.00 C ATOM 735 C SER A 60 8.615 -13.044 -4.152 1.00 0.00 C ATOM 736 O SER A 60 8.620 -14.031 -3.415 1.00 0.00 O ATOM 737 CB SER A 60 10.934 -13.044 -5.031 1.00 0.00 C ATOM 738 OG SER A 60 12.160 -12.328 -5.156 1.00 0.00 O ATOM 0 H SER A 60 11.396 -11.429 -3.157 1.00 0.00 H new ATOM 0 HA SER A 60 9.568 -11.338 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.096 -13.952 -4.450 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.588 -13.355 -6.017 1.00 0.00 H new ATOM 0 HG SER A 60 11.989 -11.367 -5.064 1.00 0.00 H new ATOM 744 N GLY A 61 7.537 -12.468 -4.665 1.00 0.00 N ATOM 745 CA GLY A 61 6.195 -13.088 -4.753 1.00 0.00 C ATOM 746 C GLY A 61 5.445 -13.254 -3.414 1.00 0.00 C ATOM 747 O GLY A 61 4.374 -13.847 -3.398 1.00 0.00 O ATOM 0 H GLY A 61 7.559 -11.523 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.580 -12.485 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.298 -14.070 -5.215 1.00 0.00 H new ATOM 751 N LYS A 62 5.916 -12.569 -2.374 1.00 0.00 N ATOM 752 CA LYS A 62 5.333 -12.682 -1.023 1.00 0.00 C ATOM 753 C LYS A 62 3.945 -12.056 -0.835 1.00 0.00 C ATOM 754 O LYS A 62 3.036 -12.669 -0.274 1.00 0.00 O ATOM 755 CB LYS A 62 6.318 -12.100 -0.003 1.00 0.00 C ATOM 756 CG LYS A 62 7.140 -13.179 0.714 1.00 0.00 C ATOM 757 CD LYS A 62 7.956 -14.053 -0.243 1.00 0.00 C ATOM 758 CE LYS A 62 9.324 -14.368 0.357 1.00 0.00 C ATOM 759 NZ LYS A 62 10.071 -15.173 -0.621 1.00 0.00 N ATOM 0 H LYS A 62 6.704 -11.924 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 62 5.169 -13.748 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.994 -11.412 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.767 -11.519 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.815 -12.700 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.468 -13.814 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.419 -14.980 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.080 -13.541 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.862 -13.448 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.213 -14.913 1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.082 -14.938 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.938 -16.183 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.721 -14.968 -1.579 1.00 0.00 H new ATOM 773 N ILE A 63 3.825 -10.842 -1.356 1.00 0.00 N ATOM 774 CA ILE A 63 2.623 -10.002 -1.210 1.00 0.00 C ATOM 775 C ILE A 63 2.179 -9.393 -2.547 1.00 0.00 C ATOM 776 O ILE A 63 3.008 -9.039 -3.396 1.00 0.00 O ATOM 777 CB ILE A 63 2.808 -8.908 -0.135 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.223 -8.318 -0.025 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.400 -9.462 1.225 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.646 -7.441 -1.200 1.00 0.00 C ATOM 0 H ILE A 63 4.565 -10.399 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 63 1.825 -10.663 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 63 2.170 -8.085 -0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.285 -7.729 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.936 -9.137 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.530 -8.692 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.355 -9.769 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.024 -10.322 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.657 -7.071 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.622 -8.027 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.961 -6.598 -1.290 1.00 0.00 H new ATOM 792 N ALA A 64 0.873 -9.441 -2.768 1.00 0.00 N ATOM 793 CA ALA A 64 0.237 -8.790 -3.921 1.00 0.00 C ATOM 794 C ALA A 64 0.037 -7.300 -3.606 1.00 0.00 C ATOM 795 O ALA A 64 -0.563 -6.939 -2.595 1.00 0.00 O ATOM 796 CB ALA A 64 -1.093 -9.490 -4.241 1.00 0.00 C ATOM 0 H ALA A 64 0.219 -9.930 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 64 0.872 -8.870 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.563 -9.005 -5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.905 -10.538 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.756 -9.424 -3.378 1.00 0.00 H new ATOM 802 N VAL A 65 0.693 -6.461 -4.413 1.00 0.00 N ATOM 803 CA VAL A 65 0.828 -5.013 -4.190 1.00 0.00 C ATOM 804 C VAL A 65 -0.195 -4.092 -4.882 1.00 0.00 C ATOM 805 O VAL A 65 -0.162 -3.860 -6.089 1.00 0.00 O ATOM 806 CB VAL A 65 2.274 -4.587 -4.490 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.188 -5.048 -3.353 1.00 0.00 C ATOM 808 CG2 VAL A 65 2.821 -5.008 -5.854 1.00 0.00 C ATOM 0 H VAL A 65 1.159 -6.776 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 65 0.583 -4.869 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 65 2.256 -3.499 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.214 -4.746 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.862 -4.593 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.140 -6.133 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.847 -4.656 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.801 -6.095 -5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.206 -4.574 -6.642 1.00 0.00 H new ATOM 818 N TYR A 66 -0.945 -3.399 -4.023 1.00 0.00 N ATOM 819 CA TYR A 66 -2.044 -2.502 -4.413 1.00 0.00 C ATOM 820 C TYR A 66 -1.857 -1.047 -3.958 1.00 0.00 C ATOM 821 O TYR A 66 -1.342 -0.768 -2.875 1.00 0.00 O ATOM 822 CB TYR A 66 -3.357 -3.060 -3.863 1.00 0.00 C ATOM 823 CG TYR A 66 -3.687 -4.410 -4.518 1.00 0.00 C ATOM 824 CD1 TYR A 66 -4.310 -4.437 -5.778 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.146 -5.582 -3.946 1.00 0.00 C ATOM 826 CE1 TYR A 66 -4.350 -5.642 -6.506 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.189 -6.787 -4.664 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.788 -6.811 -5.939 1.00 0.00 C ATOM 829 OH TYR A 66 -3.902 -8.000 -6.595 1.00 0.00 O ATOM 0 H TYR A 66 -0.805 -3.444 -3.014 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.056 -2.470 -5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.282 -3.183 -2.782 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.165 -2.352 -4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.755 -3.541 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.702 -5.551 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.804 -5.674 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.767 -7.688 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.561 -8.564 -6.138 1.00 0.00 H new ATOM 839 N LYS A 67 -2.303 -0.153 -4.832 1.00 0.00 N ATOM 840 CA LYS A 67 -2.167 1.314 -4.621 1.00 0.00 C ATOM 841 C LYS A 67 -3.552 1.954 -4.609 1.00 0.00 C ATOM 842 O LYS A 67 -4.354 1.771 -5.536 1.00 0.00 O ATOM 843 CB LYS A 67 -1.333 2.022 -5.705 1.00 0.00 C ATOM 844 CG LYS A 67 -0.389 1.164 -6.564 1.00 0.00 C ATOM 845 CD LYS A 67 0.686 0.410 -5.774 1.00 0.00 C ATOM 846 CE LYS A 67 1.628 -0.361 -6.679 1.00 0.00 C ATOM 847 NZ LYS A 67 2.481 -1.201 -5.831 1.00 0.00 N ATOM 0 H LYS A 67 -2.768 -0.404 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.648 1.435 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.023 2.534 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.734 2.791 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.984 0.442 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.101 1.807 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.259 1.119 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.207 -0.280 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.065 -0.976 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.235 0.324 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.847 -1.999 -6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.277 -0.636 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.925 -1.564 -5.031 1.00 0.00 H new ATOM 861 N LEU A 68 -3.843 2.574 -3.464 1.00 0.00 N ATOM 862 CA LEU A 68 -5.150 3.214 -3.233 1.00 0.00 C ATOM 863 C LEU A 68 -5.083 4.744 -3.116 1.00 0.00 C ATOM 864 O LEU A 68 -4.464 5.325 -2.217 1.00 0.00 O ATOM 865 CB LEU A 68 -5.749 2.575 -1.973 1.00 0.00 C ATOM 866 CG LEU A 68 -7.283 2.702 -1.799 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.761 4.090 -1.399 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.020 2.157 -3.023 1.00 0.00 C ATOM 0 H LEU A 68 -3.195 2.649 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.785 3.043 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.492 1.516 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.268 3.021 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.539 2.078 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.846 4.086 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.311 4.370 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.469 4.810 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.095 2.258 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.721 2.719 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.770 1.105 -3.160 1.00 0.00 H new ATOM 880 N ASN A 69 -5.780 5.373 -4.067 1.00 0.00 N ATOM 881 CA ASN A 69 -6.032 6.827 -4.085 1.00 0.00 C ATOM 882 C ASN A 69 -7.196 7.075 -3.131 1.00 0.00 C ATOM 883 O ASN A 69 -8.365 6.864 -3.452 1.00 0.00 O ATOM 884 CB ASN A 69 -6.357 7.261 -5.526 1.00 0.00 C ATOM 885 CG ASN A 69 -5.223 7.044 -6.543 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.375 6.167 -6.441 1.00 0.00 O ATOM 887 ND2 ASN A 69 -5.304 7.745 -7.650 1.00 0.00 N ATOM 0 H ASN A 69 -6.194 4.884 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.168 7.409 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.237 6.714 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.622 8.318 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.662 7.558 -8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.009 8.477 -7.740 1.00 0.00 H new ATOM 894 N THR A 70 -6.825 7.456 -1.927 1.00 0.00 N ATOM 895 CA THR A 70 -7.773 7.648 -0.806 1.00 0.00 C ATOM 896 C THR A 70 -9.019 8.501 -1.130 1.00 0.00 C ATOM 897 O THR A 70 -10.146 8.047 -0.949 1.00 0.00 O ATOM 898 CB THR A 70 -7.052 8.280 0.388 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.470 9.519 -0.034 1.00 0.00 O ATOM 900 CG2 THR A 70 -5.999 7.343 0.975 1.00 0.00 C ATOM 0 H THR A 70 -5.854 7.647 -1.678 1.00 0.00 H new ATOM 0 HA THR A 70 -8.138 6.646 -0.581 1.00 0.00 H new ATOM 0 HB THR A 70 -7.773 8.466 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.632 9.341 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.510 7.828 1.820 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.478 6.423 1.312 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.256 7.107 0.213 1.00 0.00 H new ATOM 908 N ASP A 71 -8.764 9.587 -1.842 1.00 0.00 N ATOM 909 CA ASP A 71 -9.825 10.526 -2.285 1.00 0.00 C ATOM 910 C ASP A 71 -10.768 9.927 -3.334 1.00 0.00 C ATOM 911 O ASP A 71 -11.940 10.277 -3.394 1.00 0.00 O ATOM 912 CB ASP A 71 -9.234 11.850 -2.793 1.00 0.00 C ATOM 913 CG ASP A 71 -8.845 12.777 -1.632 1.00 0.00 C ATOM 914 OD1 ASP A 71 -8.204 12.283 -0.673 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.134 13.983 -1.753 1.00 0.00 O ATOM 0 H ASP A 71 -7.825 9.857 -2.137 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.425 10.726 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.356 11.646 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.960 12.352 -3.433 1.00 0.00 H new ATOM 921 N GLU A 72 -10.220 8.991 -4.112 1.00 0.00 N ATOM 922 CA GLU A 72 -11.004 8.226 -5.109 1.00 0.00 C ATOM 923 C GLU A 72 -11.895 7.145 -4.488 1.00 0.00 C ATOM 924 O GLU A 72 -12.919 6.780 -5.063 1.00 0.00 O ATOM 925 CB GLU A 72 -10.017 7.637 -6.095 1.00 0.00 C ATOM 926 CG GLU A 72 -10.357 8.154 -7.492 1.00 0.00 C ATOM 927 CD GLU A 72 -9.257 7.792 -8.490 1.00 0.00 C ATOM 928 OE1 GLU A 72 -8.159 8.390 -8.374 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.549 6.935 -9.347 1.00 0.00 O ATOM 0 H GLU A 72 -9.233 8.737 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.702 8.899 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.999 7.918 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.064 6.548 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.306 7.729 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.485 9.236 -7.463 1.00 0.00 H new ATOM 937 N ALA A 73 -11.496 6.645 -3.325 1.00 0.00 N ATOM 938 CA ALA A 73 -12.278 5.651 -2.576 1.00 0.00 C ATOM 939 C ALA A 73 -12.311 5.954 -1.064 1.00 0.00 C ATOM 940 O ALA A 73 -11.641 5.287 -0.264 1.00 0.00 O ATOM 941 CB ALA A 73 -11.766 4.244 -2.893 1.00 0.00 C ATOM 0 H ALA A 73 -10.623 6.912 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.317 5.708 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.349 3.511 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.867 4.052 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.717 4.166 -2.608 1.00 0.00 H new ATOM 947 N PRO A 74 -13.175 6.905 -0.643 1.00 0.00 N ATOM 948 CA PRO A 74 -13.324 7.295 0.780 1.00 0.00 C ATOM 949 C PRO A 74 -13.793 6.112 1.647 1.00 0.00 C ATOM 950 O PRO A 74 -13.144 5.825 2.649 1.00 0.00 O ATOM 951 CB PRO A 74 -14.364 8.408 0.780 1.00 0.00 C ATOM 952 CG PRO A 74 -14.282 8.993 -0.629 1.00 0.00 C ATOM 953 CD PRO A 74 -14.008 7.768 -1.498 1.00 0.00 C ATOM 0 HA PRO A 74 -12.373 7.617 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.361 8.022 0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.143 9.160 1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.210 9.490 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.486 9.733 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.933 7.269 -1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.490 8.039 -2.418 1.00 0.00 H new ATOM 961 N GLY A 75 -14.672 5.291 1.083 1.00 0.00 N ATOM 962 CA GLY A 75 -15.283 4.097 1.703 1.00 0.00 C ATOM 963 C GLY A 75 -14.240 3.055 2.157 1.00 0.00 C ATOM 964 O GLY A 75 -14.383 2.451 3.218 1.00 0.00 O ATOM 0 H GLY A 75 -15.002 5.439 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.879 4.405 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.966 3.633 0.991 1.00 0.00 H new ATOM 968 N ILE A 76 -13.188 2.907 1.364 1.00 0.00 N ATOM 969 CA ILE A 76 -12.056 2.029 1.699 1.00 0.00 C ATOM 970 C ILE A 76 -11.311 2.596 2.924 1.00 0.00 C ATOM 971 O ILE A 76 -11.329 1.989 3.988 1.00 0.00 O ATOM 972 CB ILE A 76 -11.186 1.835 0.443 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.970 1.208 -0.717 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.925 1.034 0.758 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.659 -0.115 -0.392 1.00 0.00 C ATOM 0 H ILE A 76 -13.087 3.388 0.470 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.387 1.033 1.994 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.878 2.828 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.724 1.920 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.288 1.049 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.333 0.915 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.336 1.562 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.204 0.052 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.186 -0.477 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.913 -0.849 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.371 0.035 0.419 1.00 0.00 H new ATOM 987 N ALA A 77 -10.931 3.865 2.808 1.00 0.00 N ATOM 988 CA ALA A 77 -10.300 4.608 3.919 1.00 0.00 C ATOM 989 C ALA A 77 -11.126 4.538 5.212 1.00 0.00 C ATOM 990 O ALA A 77 -10.569 4.223 6.264 1.00 0.00 O ATOM 991 CB ALA A 77 -10.073 6.073 3.512 1.00 0.00 C ATOM 0 H ALA A 77 -11.046 4.412 1.955 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.341 4.133 4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.608 6.612 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.420 6.111 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.030 6.536 3.270 1.00 0.00 H new ATOM 997 N THR A 78 -12.461 4.605 5.070 1.00 0.00 N ATOM 998 CA THR A 78 -13.422 4.439 6.185 1.00 0.00 C ATOM 999 C THR A 78 -13.300 3.042 6.809 1.00 0.00 C ATOM 1000 O THR A 78 -13.043 2.911 8.008 1.00 0.00 O ATOM 1001 CB THR A 78 -14.828 4.549 5.616 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.986 5.781 4.907 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.942 4.458 6.664 1.00 0.00 C ATOM 0 H THR A 78 -12.912 4.777 4.171 1.00 0.00 H new ATOM 0 HA THR A 78 -13.216 5.199 6.939 1.00 0.00 H new ATOM 0 HB THR A 78 -14.930 3.689 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.489 5.739 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.911 4.546 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.881 3.499 7.178 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.828 5.265 7.388 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.555 2.041 5.980 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.630 0.627 6.374 1.00 0.00 C ATOM 1013 C GLN A 79 -12.391 0.117 7.146 1.00 0.00 C ATOM 1014 O GLN A 79 -12.474 -0.807 7.939 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.733 -0.142 5.066 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.141 -1.589 5.277 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.954 -2.002 4.057 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -14.459 -2.054 2.940 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -16.235 -2.192 4.265 1.00 0.00 N ATOM 0 H GLN A 79 -13.721 2.186 4.984 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.474 0.491 7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.459 0.347 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.773 -0.109 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.263 -2.225 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.730 -1.695 6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.611 -2.141 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.855 -2.391 3.480 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.265 0.696 6.772 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.949 0.371 7.337 1.00 0.00 C ATOM 1030 C TYR A 80 -9.474 1.344 8.425 1.00 0.00 C ATOM 1031 O TYR A 80 -8.406 1.159 9.009 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.939 0.306 6.185 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.288 -0.859 5.255 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.340 -2.154 5.806 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.941 -0.539 4.052 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.133 -3.132 5.170 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.737 -1.497 3.415 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.827 -2.786 3.986 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.541 -3.751 3.361 1.00 0.00 O ATOM 0 H TYR A 80 -11.229 1.420 6.054 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.034 -0.591 7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.948 1.243 5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.931 0.179 6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.783 -2.394 6.699 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.828 0.445 3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.209 -4.128 5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.271 -1.257 2.507 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.275 -3.341 2.858 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.328 2.326 8.711 1.00 0.00 N ATOM 1050 CA ASN A 81 -10.083 3.371 9.712 1.00 0.00 C ATOM 1051 C ASN A 81 -8.723 4.083 9.561 1.00 0.00 C ATOM 1052 O ASN A 81 -8.084 4.500 10.525 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.291 2.724 11.079 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.147 3.653 11.918 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -12.330 3.460 12.152 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -10.563 4.769 12.270 1.00 0.00 N ATOM 0 H ASN A 81 -11.230 2.422 8.245 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.787 4.191 9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.777 1.754 10.971 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.332 2.548 11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.097 5.495 12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.574 4.913 12.067 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.419 4.388 8.311 1.00 0.00 N ATOM 1064 CA ILE A 82 -7.132 5.019 7.936 1.00 0.00 C ATOM 1065 C ILE A 82 -7.328 6.533 7.826 1.00 0.00 C ATOM 1066 O ILE A 82 -8.175 7.061 7.109 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.414 4.316 6.768 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.937 4.657 5.381 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.368 2.796 6.931 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.248 5.925 4.893 1.00 0.00 C ATOM 0 H ILE A 82 -9.041 4.213 7.522 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.401 4.872 8.731 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.404 4.722 6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.744 3.834 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.017 4.802 5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.851 2.354 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.836 2.544 7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.384 2.405 6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.615 6.179 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.464 6.744 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.171 5.761 4.851 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.755 7.101 8.868 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.751 8.555 9.148 1.00 0.00 C ATOM 1084 C ARG A 83 -5.379 9.191 8.922 1.00 0.00 C ATOM 1085 O ARG A 83 -5.280 10.357 8.547 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.179 8.798 10.607 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.577 8.270 10.945 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.688 8.956 10.137 1.00 0.00 C ATOM 1089 NE ARG A 83 -10.125 8.051 9.066 1.00 0.00 N ATOM 1090 CZ ARG A 83 -11.165 7.212 9.114 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -11.988 7.150 10.158 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.401 6.428 8.082 1.00 0.00 N ATOM 0 H ARG A 83 -6.259 6.561 9.577 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.452 9.019 8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.454 8.326 11.270 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.148 9.868 10.810 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.609 7.197 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.767 8.414 12.009 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.527 9.205 10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.323 9.892 9.714 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.583 8.064 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.837 7.758 10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.770 6.495 10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.795 6.467 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.190 5.782 8.102 1.00 0.00 H new ATOM 1106 N SER A 84 -4.334 8.389 9.105 1.00 0.00 N ATOM 1107 CA SER A 84 -2.954 8.901 8.959 1.00 0.00 C ATOM 1108 C SER A 84 -2.226 8.327 7.756 1.00 0.00 C ATOM 1109 O SER A 84 -1.702 7.212 7.728 1.00 0.00 O ATOM 1110 CB SER A 84 -2.125 8.786 10.242 1.00 0.00 C ATOM 1111 OG SER A 84 -2.411 7.547 10.891 1.00 0.00 O ATOM 0 H SER A 84 -4.401 7.401 9.350 1.00 0.00 H new ATOM 0 HA SER A 84 -3.071 9.968 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.063 8.847 10.006 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.352 9.618 10.909 1.00 0.00 H new ATOM 0 HG SER A 84 -2.146 7.602 11.833 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.346 9.151 6.725 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.730 8.937 5.411 1.00 0.00 C ATOM 1119 C ILE A 85 -0.290 9.507 5.476 1.00 0.00 C ATOM 1120 O ILE A 85 -0.142 10.651 5.915 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.626 9.578 4.332 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.941 8.803 4.156 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.956 9.649 2.955 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.076 9.322 5.032 1.00 0.00 C ATOM 0 H ILE A 85 -2.889 10.013 6.775 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.648 7.884 5.141 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.814 10.589 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.247 8.855 3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.767 7.752 4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.639 10.110 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.046 10.245 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.706 8.642 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.973 8.728 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.790 9.245 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.277 10.365 4.787 1.00 0.00 H new ATOM 1136 N PRO A 86 0.713 8.752 5.002 1.00 0.00 N ATOM 1137 CA PRO A 86 0.614 7.422 4.336 1.00 0.00 C ATOM 1138 C PRO A 86 0.293 6.277 5.293 1.00 0.00 C ATOM 1139 O PRO A 86 0.711 6.256 6.447 1.00 0.00 O ATOM 1140 CB PRO A 86 1.983 7.181 3.707 1.00 0.00 C ATOM 1141 CG PRO A 86 2.674 8.533 3.714 1.00 0.00 C ATOM 1142 CD PRO A 86 2.115 9.226 4.958 1.00 0.00 C ATOM 0 HA PRO A 86 -0.205 7.439 3.617 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.553 6.446 4.276 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.887 6.794 2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.758 8.428 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.454 9.099 2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.664 8.946 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.172 10.311 4.875 1.00 0.00 H new ATOM 1150 N THR A 87 -0.494 5.332 4.772 1.00 0.00 N ATOM 1151 CA THR A 87 -0.848 4.124 5.536 1.00 0.00 C ATOM 1152 C THR A 87 -0.619 2.865 4.697 1.00 0.00 C ATOM 1153 O THR A 87 -1.047 2.815 3.544 1.00 0.00 O ATOM 1154 CB THR A 87 -2.318 4.142 5.972 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.816 5.472 6.089 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.456 3.390 7.301 1.00 0.00 C ATOM 0 H THR A 87 -0.896 5.375 3.836 1.00 0.00 H new ATOM 0 HA THR A 87 -0.207 4.113 6.418 1.00 0.00 H new ATOM 0 HB THR A 87 -2.915 3.646 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.299 5.957 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.499 3.399 7.617 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.124 2.360 7.172 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.843 3.876 8.060 1.00 0.00 H new ATOM 1164 N VAL A 88 0.087 1.909 5.262 1.00 0.00 N ATOM 1165 CA VAL A 88 0.241 0.586 4.624 1.00 0.00 C ATOM 1166 C VAL A 88 -0.407 -0.502 5.478 1.00 0.00 C ATOM 1167 O VAL A 88 -0.204 -0.579 6.690 1.00 0.00 O ATOM 1168 CB VAL A 88 1.666 0.178 4.206 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.131 0.944 2.976 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.696 0.229 5.338 1.00 0.00 C ATOM 0 H VAL A 88 0.567 2.006 6.157 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.283 0.693 3.674 1.00 0.00 H new ATOM 0 HB VAL A 88 1.596 -0.877 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.140 0.629 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.457 0.740 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.129 2.013 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.671 -0.073 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.758 1.245 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.393 -0.448 6.136 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.267 -1.259 4.802 1.00 0.00 N ATOM 1181 CA LEU A 89 -2.042 -2.344 5.423 1.00 0.00 C ATOM 1182 C LEU A 89 -1.647 -3.699 4.843 1.00 0.00 C ATOM 1183 O LEU A 89 -1.684 -3.934 3.630 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.555 -2.141 5.277 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.136 -1.048 6.163 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.895 0.353 5.586 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.640 -1.266 6.279 1.00 0.00 C ATOM 0 H LEU A 89 -1.451 -1.142 3.806 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.804 -2.323 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.778 -1.904 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.058 -3.081 5.505 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.643 -1.105 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.327 1.100 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.823 0.528 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.363 0.428 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.072 -0.491 6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.092 -1.220 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.833 -2.244 6.721 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.207 -4.551 5.755 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.658 -5.880 5.445 1.00 0.00 C ATOM 1201 C PHE A 90 -1.585 -7.001 5.912 1.00 0.00 C ATOM 1202 O PHE A 90 -1.897 -7.193 7.082 1.00 0.00 O ATOM 1203 CB PHE A 90 0.758 -6.059 6.020 1.00 0.00 C ATOM 1204 CG PHE A 90 1.810 -5.102 5.460 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.579 -4.304 4.308 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.989 -4.953 6.213 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.516 -3.326 3.934 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.940 -3.994 5.834 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.693 -3.187 4.697 1.00 0.00 C ATOM 0 H PHE A 90 -1.218 -4.343 6.754 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.585 -5.945 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.713 -5.932 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.083 -7.082 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.684 -4.449 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.161 -5.574 7.079 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.338 -2.692 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.850 -3.873 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.424 -2.447 4.407 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.243 -7.399 4.848 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.277 -8.438 4.803 1.00 0.00 C ATOM 1221 C PHE A 91 -2.698 -9.834 4.618 1.00 0.00 C ATOM 1222 O PHE A 91 -1.593 -10.071 4.114 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.196 -8.166 3.602 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.111 -6.958 3.787 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.604 -5.645 3.642 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.503 -7.206 3.853 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.510 -4.571 3.556 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.397 -6.122 3.760 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.897 -4.810 3.602 1.00 0.00 C ATOM 0 H PHE A 91 -2.069 -6.989 3.930 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.808 -8.404 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.582 -8.013 2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.808 -9.049 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.539 -5.470 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.874 -8.213 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.140 -3.561 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.462 -6.293 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.585 -3.982 3.516 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.544 -10.718 5.106 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.495 -12.175 4.945 1.00 0.00 C ATOM 1241 C LYS A 92 -4.917 -12.635 5.294 1.00 0.00 C ATOM 1242 O LYS A 92 -5.469 -12.185 6.303 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.432 -12.789 5.850 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.082 -14.200 5.395 1.00 0.00 C ATOM 1245 CD LYS A 92 -0.873 -14.672 6.177 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.478 -16.075 5.745 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.771 -16.407 6.448 1.00 0.00 N ATOM 0 H LYS A 92 -4.344 -10.427 5.667 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.211 -12.489 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.537 -12.167 5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.793 -12.813 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.925 -14.871 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.870 -14.211 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.040 -13.988 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.095 -14.662 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.262 -16.790 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.336 -16.120 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.077 -17.364 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.509 -15.722 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.612 -16.371 7.475 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.577 -12.837 4.157 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.979 -13.286 4.033 1.00 0.00 C ATOM 1263 C ASN A 93 -7.957 -12.317 4.712 1.00 0.00 C ATOM 1264 O ASN A 93 -8.497 -12.569 5.791 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.120 -14.730 4.535 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.448 -15.375 4.131 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.604 -15.977 3.080 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.467 -15.220 4.953 1.00 0.00 N ATOM 0 H ASN A 93 -5.137 -12.688 3.249 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.251 -13.279 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.297 -15.328 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.032 -14.742 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.381 -15.602 4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.341 -14.718 5.832 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.056 -11.139 4.095 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.940 -10.020 4.490 1.00 0.00 C ATOM 1277 C GLY A 94 -8.965 -9.668 5.981 1.00 0.00 C ATOM 1278 O GLY A 94 -10.021 -9.311 6.503 1.00 0.00 O ATOM 0 H GLY A 94 -7.501 -10.920 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.638 -9.133 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.956 -10.261 4.178 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.800 -9.674 6.603 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.673 -9.425 8.058 1.00 0.00 C ATOM 1284 C GLU A 95 -6.935 -8.141 8.476 1.00 0.00 C ATOM 1285 O GLU A 95 -7.110 -7.661 9.587 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.031 -10.633 8.743 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.012 -11.807 8.813 1.00 0.00 C ATOM 1288 CD GLU A 95 -7.305 -13.104 9.188 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.216 -13.983 8.292 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -6.889 -13.215 10.368 1.00 0.00 O ATOM 0 H GLU A 95 -6.912 -9.849 6.133 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.700 -9.269 8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.137 -10.933 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.713 -10.359 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.789 -11.590 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.507 -11.927 7.849 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.051 -7.682 7.595 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.140 -6.543 7.808 1.00 0.00 C ATOM 1300 C ARG A 96 -4.494 -6.431 9.205 1.00 0.00 C ATOM 1301 O ARG A 96 -4.345 -5.364 9.804 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.635 -5.190 7.270 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.040 -4.741 7.671 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.106 -4.013 9.007 1.00 0.00 C ATOM 1305 NE ARG A 96 -8.418 -3.362 9.132 1.00 0.00 N ATOM 1306 CZ ARG A 96 -9.490 -3.837 9.786 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -9.461 -5.015 10.394 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -10.622 -3.151 9.803 1.00 0.00 N ATOM 0 H ARG A 96 -5.939 -8.105 6.674 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.314 -6.828 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.932 -4.422 7.593 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.591 -5.225 6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.436 -4.087 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.690 -5.615 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.954 -4.715 9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.310 -3.271 9.072 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.525 -2.456 8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.612 -5.580 10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.287 -5.356 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.683 -2.256 9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.433 -3.517 10.302 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.837 -7.550 9.505 1.00 0.00 N ATOM 1323 CA LYS A 97 -3.120 -7.793 10.774 1.00 0.00 C ATOM 1324 C LYS A 97 -2.077 -6.716 11.120 1.00 0.00 C ATOM 1325 O LYS A 97 -1.874 -6.411 12.292 1.00 0.00 O ATOM 1326 CB LYS A 97 -2.472 -9.178 10.836 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.837 -9.614 9.506 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.757 -10.569 8.741 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.864 -11.955 9.395 1.00 0.00 C ATOM 1330 NZ LYS A 97 -1.550 -12.618 9.469 1.00 0.00 N ATOM 0 H LYS A 97 -3.782 -8.339 8.861 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.904 -7.741 11.529 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.707 -9.179 11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.224 -9.910 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.629 -8.736 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.881 -10.102 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.752 -10.129 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.387 -10.682 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.279 -11.855 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.555 -12.576 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.684 -13.635 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.041 -12.481 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.997 -12.206 10.248 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.384 -6.215 10.101 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.428 -5.113 10.287 1.00 0.00 C ATOM 1346 C GLU A 98 -0.780 -3.866 9.472 1.00 0.00 C ATOM 1347 O GLU A 98 -0.539 -3.777 8.277 1.00 0.00 O ATOM 1348 CB GLU A 98 1.019 -5.550 10.074 1.00 0.00 C ATOM 1349 CG GLU A 98 1.593 -6.157 11.353 1.00 0.00 C ATOM 1350 CD GLU A 98 1.149 -7.600 11.657 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.138 -7.951 12.856 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.867 -8.344 10.693 1.00 0.00 O ATOM 0 H GLU A 98 -1.462 -6.549 9.140 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.517 -4.823 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.069 -6.279 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.622 -4.694 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.681 -6.136 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.311 -5.523 12.194 1.00 0.00 H new ATOM 1360 N SER A 99 -1.226 -2.887 10.234 1.00 0.00 N ATOM 1361 CA SER A 99 -1.666 -1.576 9.714 1.00 0.00 C ATOM 1362 C SER A 99 -0.759 -0.477 10.281 1.00 0.00 C ATOM 1363 O SER A 99 -0.781 -0.171 11.474 1.00 0.00 O ATOM 1364 CB SER A 99 -3.132 -1.302 10.055 1.00 0.00 C ATOM 1365 OG SER A 99 -3.977 -2.277 9.415 1.00 0.00 O ATOM 0 H SER A 99 -1.300 -2.966 11.248 1.00 0.00 H new ATOM 0 HA SER A 99 -1.587 -1.586 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.275 -1.337 11.135 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.408 -0.299 9.729 1.00 0.00 H new ATOM 0 HG SER A 99 -3.824 -3.157 9.817 1.00 0.00 H new ATOM 1371 N ILE A 100 0.155 -0.053 9.420 1.00 0.00 N ATOM 1372 CA ILE A 100 1.226 0.894 9.739 1.00 0.00 C ATOM 1373 C ILE A 100 0.825 2.308 9.286 1.00 0.00 C ATOM 1374 O ILE A 100 0.908 2.682 8.117 1.00 0.00 O ATOM 1375 CB ILE A 100 2.577 0.470 9.135 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.004 -0.959 9.502 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.702 1.424 9.562 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.384 -2.009 8.575 1.00 0.00 C ATOM 0 H ILE A 100 0.177 -0.365 8.449 1.00 0.00 H new ATOM 0 HA ILE A 100 1.363 0.897 10.820 1.00 0.00 H new ATOM 0 HB ILE A 100 2.419 0.510 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.090 -1.034 9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.713 -1.169 10.531 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.643 1.098 9.119 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.472 2.434 9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.791 1.419 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.717 -3.002 8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.297 -1.955 8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.696 -1.818 7.548 1.00 0.00 H new ATOM 1390 N ILE A 101 0.272 2.999 10.272 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.122 4.419 10.216 1.00 0.00 C ATOM 1392 C ILE A 101 1.102 5.342 10.371 1.00 0.00 C ATOM 1393 O ILE A 101 1.832 5.297 11.352 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.219 4.665 11.273 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.077 3.922 12.606 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.594 4.381 10.670 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -0.105 4.590 13.587 1.00 0.00 C ATOM 0 H ILE A 101 0.072 2.576 11.178 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.538 4.662 9.238 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.097 5.715 11.539 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.058 3.847 13.076 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.739 2.905 12.410 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.364 4.556 11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.761 5.040 9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.639 3.343 10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.058 4.007 14.506 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.887 4.641 13.138 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.453 5.598 13.814 1.00 0.00 H new ATOM 1409 N GLY A 102 1.440 5.957 9.238 1.00 0.00 N ATOM 1410 CA GLY A 102 2.625 6.837 9.093 1.00 0.00 C ATOM 1411 C GLY A 102 3.731 6.073 8.356 1.00 0.00 C ATOM 1412 O GLY A 102 4.911 6.115 8.699 1.00 0.00 O ATOM 0 H GLY A 102 0.899 5.864 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.359 7.738 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.978 7.157 10.073 1.00 0.00 H new ATOM 1416 N ALA A 103 3.304 5.518 7.229 1.00 0.00 N ATOM 1417 CA ALA A 103 4.089 4.608 6.370 1.00 0.00 C ATOM 1418 C ALA A 103 5.077 5.341 5.441 1.00 0.00 C ATOM 1419 O ALA A 103 4.808 5.625 4.273 1.00 0.00 O ATOM 1420 CB ALA A 103 3.095 3.752 5.590 1.00 0.00 C ATOM 0 H ALA A 103 2.367 5.689 6.865 1.00 0.00 H new ATOM 0 HA ALA A 103 4.726 3.984 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.638 3.064 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.479 3.184 6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.458 4.396 4.984 1.00 0.00 H new ATOM 1426 N VAL A 104 6.178 5.751 6.055 1.00 0.00 N ATOM 1427 CA VAL A 104 7.291 6.420 5.361 1.00 0.00 C ATOM 1428 C VAL A 104 8.602 5.594 5.307 1.00 0.00 C ATOM 1429 O VAL A 104 9.186 5.517 4.225 1.00 0.00 O ATOM 1430 CB VAL A 104 7.448 7.878 5.891 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.778 8.546 5.526 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.297 8.749 5.395 1.00 0.00 C ATOM 0 H VAL A 104 6.334 5.632 7.056 1.00 0.00 H new ATOM 0 HA VAL A 104 7.032 6.491 4.305 1.00 0.00 H new ATOM 0 HB VAL A 104 7.432 7.792 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.802 9.556 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.602 7.967 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.877 8.591 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.420 9.764 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.296 8.765 4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.352 8.341 5.752 1.00 0.00 H new ATOM 1442 N PRO A 105 9.106 5.002 6.410 1.00 0.00 N ATOM 1443 CA PRO A 105 10.348 4.216 6.356 1.00 0.00 C ATOM 1444 C PRO A 105 10.104 2.825 5.799 1.00 0.00 C ATOM 1445 O PRO A 105 9.471 1.962 6.417 1.00 0.00 O ATOM 1446 CB PRO A 105 10.926 4.199 7.772 1.00 0.00 C ATOM 1447 CG PRO A 105 9.753 4.545 8.699 1.00 0.00 C ATOM 1448 CD PRO A 105 8.651 5.124 7.805 1.00 0.00 C ATOM 0 HA PRO A 105 11.068 4.667 5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.342 3.221 8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.734 4.923 7.875 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.400 3.659 9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.057 5.267 9.457 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.715 4.585 7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.461 6.167 8.057 1.00 0.00 H new ATOM 1456 N LYS A 106 10.666 2.665 4.612 1.00 0.00 N ATOM 1457 CA LYS A 106 10.647 1.418 3.829 1.00 0.00 C ATOM 1458 C LYS A 106 10.968 0.192 4.707 1.00 0.00 C ATOM 1459 O LYS A 106 10.104 -0.670 4.898 1.00 0.00 O ATOM 1460 CB LYS A 106 11.649 1.566 2.695 1.00 0.00 C ATOM 1461 CG LYS A 106 11.368 0.502 1.645 1.00 0.00 C ATOM 1462 CD LYS A 106 12.313 0.721 0.481 1.00 0.00 C ATOM 1463 CE LYS A 106 11.959 -0.286 -0.603 1.00 0.00 C ATOM 1464 NZ LYS A 106 12.798 -0.041 -1.777 1.00 0.00 N ATOM 0 H LYS A 106 11.167 3.419 4.142 1.00 0.00 H new ATOM 0 HA LYS A 106 9.649 1.249 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.574 2.560 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.665 1.462 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.509 -0.493 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.333 0.563 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.222 1.739 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.347 0.591 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.112 -1.301 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.906 -0.198 -0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.561 -0.726 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.631 0.924 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.799 -0.146 -1.516 1.00 0.00 H new ATOM 1478 N SER A 107 12.040 0.318 5.483 1.00 0.00 N ATOM 1479 CA SER A 107 12.549 -0.715 6.403 1.00 0.00 C ATOM 1480 C SER A 107 11.518 -1.222 7.433 1.00 0.00 C ATOM 1481 O SER A 107 11.394 -2.426 7.647 1.00 0.00 O ATOM 1482 CB SER A 107 13.774 -0.176 7.138 1.00 0.00 C ATOM 1483 OG SER A 107 13.461 1.116 7.682 1.00 0.00 O ATOM 0 H SER A 107 12.603 1.168 5.495 1.00 0.00 H new ATOM 0 HA SER A 107 12.799 -1.575 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.066 -0.860 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.621 -0.102 6.455 1.00 0.00 H new ATOM 0 HG SER A 107 14.242 1.469 8.157 1.00 0.00 H new ATOM 1489 N THR A 108 10.788 -0.296 8.036 1.00 0.00 N ATOM 1490 CA THR A 108 9.693 -0.596 8.986 1.00 0.00 C ATOM 1491 C THR A 108 8.525 -1.360 8.372 1.00 0.00 C ATOM 1492 O THR A 108 7.976 -2.296 8.954 1.00 0.00 O ATOM 1493 CB THR A 108 9.200 0.744 9.551 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.336 1.446 10.087 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.085 0.612 10.590 1.00 0.00 C ATOM 0 H THR A 108 10.930 0.703 7.887 1.00 0.00 H new ATOM 0 HA THR A 108 10.090 -1.253 9.760 1.00 0.00 H new ATOM 0 HB THR A 108 8.745 1.306 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.030 2.129 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.794 1.603 10.939 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.224 0.118 10.139 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.442 0.021 11.433 1.00 0.00 H new ATOM 1503 N LEU A 109 8.194 -0.946 7.159 1.00 0.00 N ATOM 1504 CA LEU A 109 7.143 -1.580 6.342 1.00 0.00 C ATOM 1505 C LEU A 109 7.580 -3.015 6.047 1.00 0.00 C ATOM 1506 O LEU A 109 6.913 -3.950 6.483 1.00 0.00 O ATOM 1507 CB LEU A 109 6.829 -0.871 5.004 1.00 0.00 C ATOM 1508 CG LEU A 109 6.853 0.663 5.005 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.244 1.183 3.711 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.118 1.306 6.193 1.00 0.00 C ATOM 0 H LEU A 109 8.645 -0.154 6.700 1.00 0.00 H new ATOM 0 HA LEU A 109 6.224 -1.522 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.545 -1.220 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.842 -1.194 4.673 1.00 0.00 H new ATOM 0 HG LEU A 109 7.902 0.945 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.262 2.273 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.820 0.812 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.214 0.837 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.183 2.391 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.071 1.004 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.578 0.979 7.126 1.00 0.00 H new ATOM 1522 N THR A 110 8.860 -3.154 5.690 1.00 0.00 N ATOM 1523 CA THR A 110 9.516 -4.463 5.439 1.00 0.00 C ATOM 1524 C THR A 110 9.391 -5.385 6.666 1.00 0.00 C ATOM 1525 O THR A 110 8.830 -6.481 6.609 1.00 0.00 O ATOM 1526 CB THR A 110 10.978 -4.297 5.043 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.099 -3.329 3.999 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.507 -5.643 4.582 1.00 0.00 C ATOM 0 H THR A 110 9.486 -2.359 5.563 1.00 0.00 H new ATOM 0 HA THR A 110 8.997 -4.928 4.601 1.00 0.00 H new ATOM 0 HB THR A 110 11.558 -3.946 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.917 -2.436 4.359 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.554 -5.543 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.421 -6.365 5.394 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.927 -5.988 3.726 1.00 0.00 H new ATOM 1536 N ASP A 111 9.892 -4.853 7.763 1.00 0.00 N ATOM 1537 CA ASP A 111 9.864 -5.467 9.106 1.00 0.00 C ATOM 1538 C ASP A 111 8.474 -6.067 9.419 1.00 0.00 C ATOM 1539 O ASP A 111 8.354 -7.275 9.582 1.00 0.00 O ATOM 1540 CB ASP A 111 10.207 -4.330 10.076 1.00 0.00 C ATOM 1541 CG ASP A 111 10.521 -4.839 11.487 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.552 -4.944 12.274 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.724 -5.085 11.757 1.00 0.00 O ATOM 0 H ASP A 111 10.352 -3.943 7.759 1.00 0.00 H new ATOM 0 HA ASP A 111 10.570 -6.294 9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.064 -3.776 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.371 -3.632 10.122 1.00 0.00 H new ATOM 1549 N SER A 112 7.445 -5.249 9.167 1.00 0.00 N ATOM 1550 CA SER A 112 6.030 -5.607 9.388 1.00 0.00 C ATOM 1551 C SER A 112 5.432 -6.773 8.608 1.00 0.00 C ATOM 1552 O SER A 112 4.483 -7.389 9.084 1.00 0.00 O ATOM 1553 CB SER A 112 5.084 -4.411 9.264 1.00 0.00 C ATOM 1554 OG SER A 112 5.196 -3.555 10.403 1.00 0.00 O ATOM 0 H SER A 112 7.569 -4.306 8.799 1.00 0.00 H new ATOM 0 HA SER A 112 6.102 -5.966 10.415 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.316 -3.851 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.057 -4.763 9.167 1.00 0.00 H new ATOM 0 HG SER A 112 5.988 -2.986 10.308 1.00 0.00 H new ATOM 1560 N ILE A 113 5.974 -7.067 7.422 1.00 0.00 N ATOM 1561 CA ILE A 113 5.542 -8.268 6.669 1.00 0.00 C ATOM 1562 C ILE A 113 6.246 -9.510 7.217 1.00 0.00 C ATOM 1563 O ILE A 113 5.618 -10.446 7.705 1.00 0.00 O ATOM 1564 CB ILE A 113 5.676 -8.434 5.167 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.806 -7.658 4.504 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.319 -8.337 4.498 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.555 -6.157 4.452 1.00 0.00 C ATOM 0 H ILE A 113 6.696 -6.511 6.964 1.00 0.00 H new ATOM 0 HA ILE A 113 4.473 -8.127 6.826 1.00 0.00 H new ATOM 0 HB ILE A 113 6.035 -9.449 4.998 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.733 -7.846 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.948 -8.031 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.435 -8.458 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.667 -9.120 4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.879 -7.362 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.398 -5.664 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.645 -5.960 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.443 -5.772 5.465 1.00 0.00 H new ATOM 1579 N GLU A 114 7.564 -9.356 7.249 1.00 0.00 N ATOM 1580 CA GLU A 114 8.533 -10.433 7.529 1.00 0.00 C ATOM 1581 C GLU A 114 8.399 -11.025 8.945 1.00 0.00 C ATOM 1582 O GLU A 114 8.921 -12.078 9.277 1.00 0.00 O ATOM 1583 CB GLU A 114 9.950 -9.972 7.200 1.00 0.00 C ATOM 1584 CG GLU A 114 9.957 -9.577 5.717 1.00 0.00 C ATOM 1585 CD GLU A 114 11.390 -9.424 5.200 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.051 -8.444 5.622 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.797 -10.281 4.390 1.00 0.00 O ATOM 0 H GLU A 114 8.011 -8.456 7.077 1.00 0.00 H new ATOM 0 HA GLU A 114 8.295 -11.266 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.236 -9.127 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.669 -10.768 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.434 -10.334 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.416 -8.640 5.583 1.00 0.00 H new ATOM 1595 N LYS A 115 7.682 -10.252 9.747 1.00 0.00 N ATOM 1596 CA LYS A 115 7.143 -10.532 11.077 1.00 0.00 C ATOM 1597 C LYS A 115 6.265 -11.807 11.098 1.00 0.00 C ATOM 1598 O LYS A 115 6.414 -12.662 11.962 1.00 0.00 O ATOM 1599 CB LYS A 115 6.324 -9.274 11.338 1.00 0.00 C ATOM 1600 CG LYS A 115 5.657 -9.243 12.721 1.00 0.00 C ATOM 1601 CD LYS A 115 4.808 -7.987 12.901 1.00 0.00 C ATOM 1602 CE LYS A 115 5.644 -6.697 12.992 1.00 0.00 C ATOM 1603 NZ LYS A 115 6.432 -6.690 14.237 1.00 0.00 N ATOM 0 H LYS A 115 7.434 -9.308 9.452 1.00 0.00 H new ATOM 0 HA LYS A 115 7.906 -10.733 11.829 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.972 -8.403 11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.554 -9.188 10.572 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.032 -10.127 12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.422 -9.281 13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.113 -7.903 12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.208 -8.088 13.806 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.309 -6.624 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.988 -5.827 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.830 -5.742 14.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.818 -6.941 15.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.205 -7.382 14.163 1.00 0.00 H new ATOM 1617 N TYR A 116 5.379 -11.896 10.112 1.00 0.00 N ATOM 1618 CA TYR A 116 4.417 -13.006 9.956 1.00 0.00 C ATOM 1619 C TYR A 116 4.651 -13.818 8.670 1.00 0.00 C ATOM 1620 O TYR A 116 4.579 -15.044 8.661 1.00 0.00 O ATOM 1621 CB TYR A 116 2.983 -12.440 10.000 1.00 0.00 C ATOM 1622 CG TYR A 116 2.617 -11.509 8.844 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.785 -10.116 8.975 1.00 0.00 C ATOM 1624 CD2 TYR A 116 1.947 -12.076 7.734 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.280 -9.273 7.962 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.452 -11.241 6.724 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.630 -9.847 6.858 1.00 0.00 C ATOM 1628 OH TYR A 116 1.041 -9.059 5.918 1.00 0.00 O ATOM 0 H TYR A 116 5.299 -11.191 9.380 1.00 0.00 H new ATOM 0 HA TYR A 116 4.566 -13.702 10.782 1.00 0.00 H new ATOM 0 HB2 TYR A 116 2.280 -13.273 10.011 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.851 -11.899 10.937 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.291 -9.701 9.834 1.00 0.00 H new ATOM 0 HD2 TYR A 116 1.818 -13.146 7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.392 -8.201 8.035 1.00 0.00 H new ATOM 0 HE2 TYR A 116 0.946 -11.654 5.864 1.00 0.00 H new ATOM 0 HH TYR A 116 0.639 -9.622 5.224 1.00 0.00 H new ATOM 1638 N LEU A 117 4.960 -13.101 7.586 1.00 0.00 N ATOM 1639 CA LEU A 117 5.247 -13.647 6.250 1.00 0.00 C ATOM 1640 C LEU A 117 6.767 -13.788 6.177 1.00 0.00 C ATOM 1641 O LEU A 117 7.537 -12.928 5.753 1.00 0.00 O ATOM 1642 CB LEU A 117 4.700 -12.645 5.259 1.00 0.00 C ATOM 1643 CG LEU A 117 4.833 -13.071 3.802 1.00 0.00 C ATOM 1644 CD1 LEU A 117 4.125 -14.393 3.488 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.243 -11.940 2.969 1.00 0.00 C ATOM 0 H LEU A 117 5.020 -12.083 7.613 1.00 0.00 H new ATOM 0 HA LEU A 117 4.796 -14.617 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.647 -12.470 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.217 -11.695 5.397 1.00 0.00 H new ATOM 0 HG LEU A 117 5.884 -13.249 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.260 -14.637 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.550 -15.188 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.061 -14.296 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.312 -12.193 1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.197 -11.796 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.797 -11.021 3.159 1.00 0.00 H new TER 1657 LEU A 117