USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1027 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 117 SER OG : rot -120:sc= 1.3 USER MOD Set 1.2: A 130 HIS : no HE2:sc= -15.8! C(o=-15!,f=-19!) USER MOD Set 2.1: A 69 ASN :FLIP amide:sc= -4.87! C(o=-13!,f=-11!) USER MOD Set 2.2: A 97 GLN :FLIP amide:sc= -6.63! C(o=-15!,f=-11!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 173:sc= 0.00348 (180deg=0) USER MOD Set 3.2: A 13 GLN :FLIP amide:sc= 0.00411 F(o=-1,f=0.0076) USER MOD Set 4.1: A 6 SER OG : rot 168:sc= -4.24! USER MOD Set 4.2: A 8 HIS : no HD1:sc= -4.58! C(o=-9.8!,f=-18!) USER MOD Set 4.3: A 126 ASN :FLIP amide:sc= -0.929 F(o=-12!,f=-9.8) USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= 0.539 (180deg=-0.786!) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.119) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -34:sc= 1.01 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 90:sc= -0.262 USER MOD Single : A 45 THR OG1 : rot 129:sc= 1.31 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.617 F(o=-2.5!,f=-0.62) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00998 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= -0.098 (180deg=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.197 F(o=-1.8!,f=-0.2) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : +bothHN:sc= -5.33! C(o=-5.3!,f=-12!) USER MOD Single : A 76 THR OG1 : rot -70:sc= -0.369 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 91 ASN : amide:sc= -1.65! C(o=-1.6!,f=-3.8!) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.365) USER MOD Single : A 95 THR OG1 : rot -66:sc= -0.088 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 173:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.123) USER MOD Single : A 104 LYS NZ :NH3+ -149:sc= -0.444 (180deg=-1.81!) USER MOD Single : A 107 ASN :FLIP amide:sc= -1.44 F(o=-2.6,f=-1.4) USER MOD Single : A 109 THR OG1 : rot 78:sc= 0.0728 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.32 F(o=-2.9!,f=-1.3) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -120:sc= -1.31 USER MOD Single : A 123 MET CE :methyl -178:sc= 0 (180deg=-0.00425) USER MOD Single : A 124 THR OG1 : rot -19:sc= -1.26! USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -13.581 10.965 2.251 1.00 0.00 N ATOM 51 CA LYS A 5 -13.641 9.809 1.366 1.00 0.00 C ATOM 52 C LYS A 5 -13.081 8.572 2.062 1.00 0.00 C ATOM 53 O LYS A 5 -12.172 8.664 2.889 1.00 0.00 O ATOM 54 CB LYS A 5 -12.842 10.087 0.089 1.00 0.00 C ATOM 55 CG LYS A 5 -13.624 11.053 -0.805 1.00 0.00 C ATOM 56 CD LYS A 5 -12.813 11.347 -2.070 1.00 0.00 C ATOM 57 CE LYS A 5 -12.704 12.861 -2.265 1.00 0.00 C ATOM 58 NZ LYS A 5 -11.988 13.147 -3.541 1.00 0.00 N ATOM 0 HA LYS A 5 -14.684 9.625 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.871 10.514 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.652 9.155 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.588 10.620 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.828 11.979 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.819 10.908 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.292 10.891 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.698 13.308 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.170 13.309 -1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.017 14.169 -3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.998 12.838 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.449 12.634 -4.320 1.00 0.00 H new ATOM 72 N SER A 6 -13.631 7.415 1.722 1.00 0.00 N ATOM 73 CA SER A 6 -13.181 6.161 2.317 1.00 0.00 C ATOM 74 C SER A 6 -12.064 5.549 1.482 1.00 0.00 C ATOM 75 O SER A 6 -11.717 6.065 0.420 1.00 0.00 O ATOM 76 CB SER A 6 -14.344 5.174 2.416 1.00 0.00 C ATOM 77 OG SER A 6 -13.950 3.927 1.862 1.00 0.00 O ATOM 0 H SER A 6 -14.385 7.317 1.042 1.00 0.00 H new ATOM 0 HA SER A 6 -12.804 6.372 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.639 5.045 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.212 5.563 1.884 1.00 0.00 H new ATOM 0 HG SER A 6 -14.612 3.243 2.093 1.00 0.00 H new ATOM 83 N LEU A 7 -11.502 4.449 1.969 1.00 0.00 N ATOM 84 CA LEU A 7 -10.421 3.778 1.260 1.00 0.00 C ATOM 85 C LEU A 7 -10.858 3.401 -0.155 1.00 0.00 C ATOM 86 O LEU A 7 -10.289 3.872 -1.143 1.00 0.00 O ATOM 87 CB LEU A 7 -10.001 2.517 2.020 1.00 0.00 C ATOM 88 CG LEU A 7 -9.558 2.894 3.441 1.00 0.00 C ATOM 89 CD1 LEU A 7 -9.833 1.731 4.399 1.00 0.00 C ATOM 90 CD2 LEU A 7 -8.058 3.204 3.437 1.00 0.00 C ATOM 0 H LEU A 7 -11.775 4.006 2.846 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.575 4.462 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.832 1.812 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.186 2.018 1.495 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.116 3.770 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.516 2.006 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.900 1.507 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.279 0.851 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.739 3.472 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.506 2.325 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.860 4.035 2.760 1.00 0.00 H new ATOM 102 N HIS A 8 -11.878 2.556 -0.245 1.00 0.00 N ATOM 103 CA HIS A 8 -12.389 2.128 -1.543 1.00 0.00 C ATOM 104 C HIS A 8 -12.790 3.340 -2.372 1.00 0.00 C ATOM 105 O HIS A 8 -12.464 3.428 -3.556 1.00 0.00 O ATOM 106 CB HIS A 8 -13.595 1.211 -1.349 1.00 0.00 C ATOM 107 CG HIS A 8 -14.543 1.821 -0.351 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.401 2.857 -0.683 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.790 1.538 0.972 1.00 0.00 C ATOM 110 CE1 HIS A 8 -16.116 3.161 0.416 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.784 2.386 1.453 1.00 0.00 N ATOM 0 H HIS A 8 -12.365 2.156 0.557 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.606 1.583 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.104 1.057 -2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.267 0.232 -1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.290 0.775 1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.867 3.937 0.455 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -16.175 2.411 2.395 1.00 0.00 H new ATOM 120 N GLU A 9 -13.495 4.276 -1.746 1.00 0.00 N ATOM 121 CA GLU A 9 -13.928 5.479 -2.443 1.00 0.00 C ATOM 122 C GLU A 9 -12.765 6.091 -3.212 1.00 0.00 C ATOM 123 O GLU A 9 -12.898 6.451 -4.382 1.00 0.00 O ATOM 124 CB GLU A 9 -14.476 6.495 -1.440 1.00 0.00 C ATOM 125 CG GLU A 9 -15.287 7.561 -2.180 1.00 0.00 C ATOM 126 CD GLU A 9 -16.629 6.984 -2.614 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.328 6.455 -1.766 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.942 7.082 -3.790 1.00 0.00 O ATOM 0 H GLU A 9 -13.776 4.225 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.715 5.210 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.103 5.992 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.656 6.961 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.445 8.424 -1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.733 7.912 -3.051 1.00 0.00 H new ATOM 135 N LYS A 10 -11.621 6.201 -2.548 1.00 0.00 N ATOM 136 CA LYS A 10 -10.442 6.767 -3.183 1.00 0.00 C ATOM 137 C LYS A 10 -10.002 5.894 -4.349 1.00 0.00 C ATOM 138 O LYS A 10 -9.820 6.381 -5.460 1.00 0.00 O ATOM 139 CB LYS A 10 -9.300 6.880 -2.171 1.00 0.00 C ATOM 140 CG LYS A 10 -8.142 7.691 -2.777 1.00 0.00 C ATOM 141 CD LYS A 10 -8.522 9.175 -2.882 1.00 0.00 C ATOM 142 CE LYS A 10 -7.259 10.027 -2.827 1.00 0.00 C ATOM 143 NZ LYS A 10 -6.194 9.386 -3.648 1.00 0.00 N ATOM 0 H LYS A 10 -11.487 5.909 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.693 7.761 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.656 7.362 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.952 5.886 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.251 7.581 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.896 7.302 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.058 9.359 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.194 9.448 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.467 11.030 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.924 10.134 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.546 10.116 -4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.664 8.710 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.628 8.884 -4.449 1.00 0.00 H new ATOM 157 N LEU A 11 -9.832 4.604 -4.091 1.00 0.00 N ATOM 158 CA LEU A 11 -9.405 3.678 -5.139 1.00 0.00 C ATOM 159 C LEU A 11 -10.344 3.745 -6.334 1.00 0.00 C ATOM 160 O LEU A 11 -9.932 3.529 -7.473 1.00 0.00 O ATOM 161 CB LEU A 11 -9.367 2.252 -4.589 1.00 0.00 C ATOM 162 CG LEU A 11 -8.443 2.195 -3.367 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.424 0.773 -2.804 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.020 2.599 -3.770 1.00 0.00 C ATOM 0 H LEU A 11 -9.980 4.176 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.406 3.966 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.372 1.931 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.013 1.565 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.813 2.885 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.767 0.734 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.433 0.485 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.059 0.085 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.369 2.556 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.650 1.914 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.029 3.614 -4.167 1.00 0.00 H new ATOM 176 N LYS A 12 -11.604 4.044 -6.068 1.00 0.00 N ATOM 177 CA LYS A 12 -12.591 4.135 -7.133 1.00 0.00 C ATOM 178 C LYS A 12 -12.528 5.496 -7.815 1.00 0.00 C ATOM 179 O LYS A 12 -12.715 5.603 -9.027 1.00 0.00 O ATOM 180 CB LYS A 12 -13.992 3.910 -6.560 1.00 0.00 C ATOM 181 CG LYS A 12 -14.134 2.480 -6.043 1.00 0.00 C ATOM 182 CD LYS A 12 -15.154 2.449 -4.902 1.00 0.00 C ATOM 183 CE LYS A 12 -15.539 0.999 -4.611 1.00 0.00 C ATOM 184 NZ LYS A 12 -16.501 0.525 -5.643 1.00 0.00 N ATOM 0 H LYS A 12 -11.967 4.227 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.371 3.366 -7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.178 4.616 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.741 4.101 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.454 1.820 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.170 2.111 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.733 2.912 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.039 3.025 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.650 0.368 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.985 0.922 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.968 -0.342 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.217 1.260 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.991 0.326 -6.527 1.00 0.00 H new ATOM 198 N GLN A 13 -12.261 6.534 -7.033 1.00 0.00 N ATOM 199 CA GLN A 13 -12.174 7.885 -7.574 1.00 0.00 C ATOM 200 C GLN A 13 -10.840 8.099 -8.282 1.00 0.00 C ATOM 201 O GLN A 13 -10.749 8.874 -9.234 1.00 0.00 O ATOM 202 CB GLN A 13 -12.316 8.908 -6.445 1.00 0.00 C ATOM 203 CG GLN A 13 -12.415 10.316 -7.037 1.00 0.00 C ATOM 204 CD GLN A 13 -13.765 10.934 -6.687 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.018 11.266 -5.450 1.00 0.00 O flip ATOM 206 NE2 GLN A 13 -14.610 11.118 -7.562 1.00 0.00 N flip ATOM 0 H GLN A 13 -12.102 6.468 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 13 -12.981 8.017 -8.295 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.204 8.689 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.460 8.844 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.609 10.940 -6.651 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.294 10.274 -8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.409 10.858 -8.528 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.511 11.531 -7.322 1.00 0.00 H new ATOM 215 N ASP A 14 -9.805 7.413 -7.807 1.00 0.00 N ATOM 216 CA ASP A 14 -8.479 7.544 -8.399 1.00 0.00 C ATOM 217 C ASP A 14 -8.278 6.529 -9.520 1.00 0.00 C ATOM 218 O ASP A 14 -8.123 5.334 -9.271 1.00 0.00 O ATOM 219 CB ASP A 14 -7.408 7.335 -7.329 1.00 0.00 C ATOM 220 CG ASP A 14 -7.007 8.674 -6.722 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.096 9.293 -7.249 1.00 0.00 O ATOM 222 OD2 ASP A 14 -7.615 9.062 -5.738 1.00 0.00 O ATOM 0 H ASP A 14 -9.858 6.766 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.393 8.547 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.785 6.672 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.536 6.849 -7.766 1.00 0.00 H new ATOM 227 N LYS A 15 -8.273 7.017 -10.756 1.00 0.00 N ATOM 228 CA LYS A 15 -8.083 6.145 -11.910 1.00 0.00 C ATOM 229 C LYS A 15 -6.677 5.550 -11.899 1.00 0.00 C ATOM 230 O LYS A 15 -6.403 4.563 -12.580 1.00 0.00 O ATOM 231 CB LYS A 15 -8.300 6.935 -13.203 1.00 0.00 C ATOM 232 CG LYS A 15 -8.566 5.965 -14.355 1.00 0.00 C ATOM 233 CD LYS A 15 -7.984 6.537 -15.648 1.00 0.00 C ATOM 234 CE LYS A 15 -8.340 5.619 -16.819 1.00 0.00 C ATOM 235 NZ LYS A 15 -7.362 5.821 -17.925 1.00 0.00 N ATOM 0 H LYS A 15 -8.397 8.003 -10.984 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.810 5.334 -11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.141 7.618 -13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.423 7.544 -13.421 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.117 4.996 -14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.638 5.802 -14.467 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.377 7.538 -15.825 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.901 6.631 -15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.329 4.578 -16.495 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.350 5.833 -17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.604 5.197 -18.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.394 6.812 -18.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.405 5.596 -17.587 1.00 0.00 H new ATOM 249 N ARG A 16 -5.791 6.158 -11.117 1.00 0.00 N ATOM 250 CA ARG A 16 -4.415 5.680 -11.020 1.00 0.00 C ATOM 251 C ARG A 16 -4.378 4.285 -10.404 1.00 0.00 C ATOM 252 O ARG A 16 -3.506 3.478 -10.722 1.00 0.00 O ATOM 253 CB ARG A 16 -3.586 6.641 -10.168 1.00 0.00 C ATOM 254 CG ARG A 16 -3.837 8.079 -10.627 1.00 0.00 C ATOM 255 CD ARG A 16 -3.031 9.042 -9.755 1.00 0.00 C ATOM 256 NE ARG A 16 -2.736 10.263 -10.496 1.00 0.00 N ATOM 257 CZ ARG A 16 -1.854 10.268 -11.490 1.00 0.00 C ATOM 258 NH1 ARG A 16 -1.219 9.172 -11.803 1.00 0.00 N ATOM 259 NH2 ARG A 16 -1.630 11.365 -12.159 1.00 0.00 N ATOM 0 H ARG A 16 -5.998 6.977 -10.545 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.993 5.633 -12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.851 6.532 -9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.527 6.400 -10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.551 8.193 -11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.899 8.313 -10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.591 9.282 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.103 8.567 -9.437 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.215 11.128 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.400 8.312 -11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.542 9.175 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.132 12.220 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.953 11.368 -12.922 1.00 0.00 H new ATOM 273 N PHE A 17 -5.331 4.013 -9.519 1.00 0.00 N ATOM 274 CA PHE A 17 -5.404 2.712 -8.856 1.00 0.00 C ATOM 275 C PHE A 17 -6.528 1.865 -9.436 1.00 0.00 C ATOM 276 O PHE A 17 -6.990 0.913 -8.807 1.00 0.00 O ATOM 277 CB PHE A 17 -5.617 2.906 -7.351 1.00 0.00 C ATOM 278 CG PHE A 17 -4.760 4.055 -6.856 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.423 4.171 -7.264 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.306 5.005 -5.983 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.640 5.233 -6.799 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.521 6.066 -5.520 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.189 6.180 -5.927 1.00 0.00 C ATOM 0 H PHE A 17 -6.061 4.671 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.463 2.189 -9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.668 3.109 -7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.359 1.991 -6.817 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.998 3.441 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.335 4.918 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.611 5.322 -7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.944 6.797 -4.848 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.583 6.999 -5.569 1.00 0.00 H new ATOM 293 N SER A 18 -6.950 2.202 -10.646 1.00 0.00 N ATOM 294 CA SER A 18 -8.008 1.450 -11.304 1.00 0.00 C ATOM 295 C SER A 18 -7.607 -0.024 -11.426 1.00 0.00 C ATOM 296 O SER A 18 -8.409 -0.934 -11.179 1.00 0.00 O ATOM 297 CB SER A 18 -8.266 2.040 -12.695 1.00 0.00 C ATOM 298 OG SER A 18 -9.149 1.191 -13.412 1.00 0.00 O ATOM 0 H SER A 18 -6.580 2.983 -11.188 1.00 0.00 H new ATOM 0 HA SER A 18 -8.919 1.517 -10.710 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.696 3.037 -12.605 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.326 2.146 -13.237 1.00 0.00 H new ATOM 0 HG SER A 18 -9.316 1.568 -14.301 1.00 0.00 H new ATOM 304 N THR A 19 -6.355 -0.253 -11.805 1.00 0.00 N ATOM 305 CA THR A 19 -5.859 -1.615 -11.956 1.00 0.00 C ATOM 306 C THR A 19 -6.081 -2.393 -10.668 1.00 0.00 C ATOM 307 O THR A 19 -6.555 -3.533 -10.686 1.00 0.00 O ATOM 308 CB THR A 19 -4.369 -1.596 -12.303 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.149 -0.723 -13.403 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.914 -3.006 -12.673 1.00 0.00 C ATOM 0 H THR A 19 -5.673 0.477 -12.011 1.00 0.00 H new ATOM 0 HA THR A 19 -6.404 -2.102 -12.765 1.00 0.00 H new ATOM 0 HB THR A 19 -3.800 -1.245 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.194 -0.710 -13.624 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.853 -2.993 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.082 -3.676 -11.829 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.483 -3.358 -13.534 1.00 0.00 H new ATOM 318 N PHE A 20 -5.741 -1.765 -9.548 1.00 0.00 N ATOM 319 CA PHE A 20 -5.911 -2.401 -8.252 1.00 0.00 C ATOM 320 C PHE A 20 -7.355 -2.812 -8.052 1.00 0.00 C ATOM 321 O PHE A 20 -7.640 -3.917 -7.598 1.00 0.00 O ATOM 322 CB PHE A 20 -5.475 -1.449 -7.130 1.00 0.00 C ATOM 323 CG PHE A 20 -4.086 -1.828 -6.665 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.783 -1.834 -5.298 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.103 -2.174 -7.602 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.499 -2.192 -4.867 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.819 -2.532 -7.170 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.518 -2.539 -5.803 1.00 0.00 C ATOM 0 H PHE A 20 -5.349 -0.824 -9.513 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.285 -3.293 -8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.483 -0.419 -7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.177 -1.503 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.539 -1.563 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.335 -2.165 -8.657 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.266 -2.200 -3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.062 -2.802 -7.891 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.528 -2.812 -5.470 1.00 0.00 H new ATOM 338 N LEU A 21 -8.263 -1.922 -8.396 1.00 0.00 N ATOM 339 CA LEU A 21 -9.676 -2.209 -8.239 1.00 0.00 C ATOM 340 C LEU A 21 -10.038 -3.478 -8.983 1.00 0.00 C ATOM 341 O LEU A 21 -10.856 -4.263 -8.523 1.00 0.00 O ATOM 342 CB LEU A 21 -10.515 -1.039 -8.766 1.00 0.00 C ATOM 343 CG LEU A 21 -11.715 -0.783 -7.831 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.592 0.302 -8.419 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.535 -2.072 -7.673 1.00 0.00 C ATOM 0 H LEU A 21 -8.052 -1.002 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.887 -2.348 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.900 -0.142 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.869 -1.260 -9.773 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.348 -0.467 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.440 0.483 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.013 1.220 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.955 -0.014 -9.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.381 -1.886 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.900 -2.393 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.906 -2.853 -7.246 1.00 0.00 H new ATOM 357 N SER A 22 -9.421 -3.671 -10.138 1.00 0.00 N ATOM 358 CA SER A 22 -9.712 -4.856 -10.948 1.00 0.00 C ATOM 359 C SER A 22 -9.195 -6.142 -10.313 1.00 0.00 C ATOM 360 O SER A 22 -9.956 -7.072 -10.047 1.00 0.00 O ATOM 361 CB SER A 22 -9.087 -4.703 -12.329 1.00 0.00 C ATOM 362 OG SER A 22 -9.265 -5.909 -13.063 1.00 0.00 O ATOM 0 H SER A 22 -8.727 -3.038 -10.535 1.00 0.00 H new ATOM 0 HA SER A 22 -10.797 -4.932 -11.020 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.548 -3.870 -12.859 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.025 -4.473 -12.237 1.00 0.00 H new ATOM 0 HG SER A 22 -8.865 -5.813 -13.952 1.00 0.00 H new ATOM 368 N LEU A 23 -7.900 -6.192 -10.088 1.00 0.00 N ATOM 369 CA LEU A 23 -7.280 -7.374 -9.497 1.00 0.00 C ATOM 370 C LEU A 23 -7.782 -7.637 -8.077 1.00 0.00 C ATOM 371 O LEU A 23 -8.102 -8.776 -7.716 1.00 0.00 O ATOM 372 CB LEU A 23 -5.758 -7.199 -9.473 1.00 0.00 C ATOM 373 CG LEU A 23 -5.379 -5.845 -8.834 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.033 -6.022 -7.352 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.162 -5.245 -9.549 1.00 0.00 C ATOM 0 H LEU A 23 -7.252 -5.434 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.554 -8.231 -10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.301 -8.014 -8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.364 -7.252 -10.488 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.236 -5.179 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.769 -5.056 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.894 -6.431 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.189 -6.705 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.904 -4.291 -9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.317 -5.928 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.399 -5.089 -10.601 1.00 0.00 H new ATOM 387 N LEU A 24 -7.836 -6.590 -7.270 1.00 0.00 N ATOM 388 CA LEU A 24 -8.273 -6.739 -5.898 1.00 0.00 C ATOM 389 C LEU A 24 -9.735 -7.159 -5.858 1.00 0.00 C ATOM 390 O LEU A 24 -10.160 -7.863 -4.941 1.00 0.00 O ATOM 391 CB LEU A 24 -8.052 -5.424 -5.130 1.00 0.00 C ATOM 392 CG LEU A 24 -9.300 -4.534 -5.228 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.372 -4.978 -4.234 1.00 0.00 C ATOM 394 CD2 LEU A 24 -8.926 -3.096 -4.903 1.00 0.00 C ATOM 0 H LEU A 24 -7.585 -5.639 -7.540 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.684 -7.518 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.831 -5.638 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.189 -4.898 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.690 -4.616 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.244 -4.330 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.661 -6.007 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.977 -4.914 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.812 -2.465 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.523 -3.045 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.175 -2.746 -5.611 1.00 0.00 H new ATOM 406 N GLU A 25 -10.506 -6.746 -6.861 1.00 0.00 N ATOM 407 CA GLU A 25 -11.908 -7.105 -6.913 1.00 0.00 C ATOM 408 C GLU A 25 -12.066 -8.585 -7.240 1.00 0.00 C ATOM 409 O GLU A 25 -12.997 -9.238 -6.765 1.00 0.00 O ATOM 410 CB GLU A 25 -12.607 -6.262 -7.979 1.00 0.00 C ATOM 411 CG GLU A 25 -13.938 -6.893 -8.343 1.00 0.00 C ATOM 412 CD GLU A 25 -14.900 -5.828 -8.863 1.00 0.00 C ATOM 413 OE1 GLU A 25 -16.095 -6.054 -8.791 1.00 0.00 O ATOM 414 OE2 GLU A 25 -14.426 -4.800 -9.322 1.00 0.00 O ATOM 0 H GLU A 25 -10.182 -6.169 -7.637 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.360 -6.914 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.764 -5.249 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.977 -6.184 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.789 -7.661 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.366 -7.386 -7.470 1.00 0.00 H new ATOM 421 N ALA A 26 -11.155 -9.109 -8.043 1.00 0.00 N ATOM 422 CA ALA A 26 -11.206 -10.514 -8.417 1.00 0.00 C ATOM 423 C ALA A 26 -10.959 -11.395 -7.198 1.00 0.00 C ATOM 424 O ALA A 26 -11.597 -12.433 -7.031 1.00 0.00 O ATOM 425 CB ALA A 26 -10.154 -10.812 -9.486 1.00 0.00 C ATOM 0 H ALA A 26 -10.376 -8.588 -8.446 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.197 -10.730 -8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.201 -11.866 -9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.347 -10.200 -10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.163 -10.582 -9.095 1.00 0.00 H new ATOM 431 N ALA A 27 -10.026 -10.973 -6.348 1.00 0.00 N ATOM 432 CA ALA A 27 -9.707 -11.738 -5.144 1.00 0.00 C ATOM 433 C ALA A 27 -10.733 -11.472 -4.050 1.00 0.00 C ATOM 434 O ALA A 27 -10.676 -12.076 -2.980 1.00 0.00 O ATOM 435 CB ALA A 27 -8.320 -11.363 -4.630 1.00 0.00 C ATOM 0 H ALA A 27 -9.484 -10.117 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.726 -12.796 -5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.096 -11.940 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.577 -11.581 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.295 -10.300 -4.392 1.00 0.00 H new ATOM 441 N ASP A 28 -11.666 -10.562 -4.325 1.00 0.00 N ATOM 442 CA ASP A 28 -12.704 -10.219 -3.358 1.00 0.00 C ATOM 443 C ASP A 28 -12.132 -9.384 -2.219 1.00 0.00 C ATOM 444 O ASP A 28 -12.514 -9.554 -1.061 1.00 0.00 O ATOM 445 CB ASP A 28 -13.345 -11.494 -2.802 1.00 0.00 C ATOM 446 CG ASP A 28 -13.403 -12.565 -3.888 1.00 0.00 C ATOM 447 OD1 ASP A 28 -12.931 -13.661 -3.640 1.00 0.00 O ATOM 448 OD2 ASP A 28 -13.921 -12.269 -4.953 1.00 0.00 O ATOM 0 H ASP A 28 -11.724 -10.051 -5.206 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.464 -9.628 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.770 -11.858 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.350 -11.277 -2.439 1.00 0.00 H new ATOM 453 N LEU A 29 -11.208 -8.487 -2.555 1.00 0.00 N ATOM 454 CA LEU A 29 -10.577 -7.636 -1.546 1.00 0.00 C ATOM 455 C LEU A 29 -11.255 -6.277 -1.480 1.00 0.00 C ATOM 456 O LEU A 29 -10.679 -5.293 -1.019 1.00 0.00 O ATOM 457 CB LEU A 29 -9.082 -7.460 -1.866 1.00 0.00 C ATOM 458 CG LEU A 29 -8.247 -8.424 -1.016 1.00 0.00 C ATOM 459 CD1 LEU A 29 -8.246 -7.997 0.449 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.822 -9.840 -1.127 1.00 0.00 C ATOM 0 H LEU A 29 -10.881 -8.330 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.684 -8.121 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.904 -7.648 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.778 -6.432 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.222 -8.407 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.647 -8.697 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.822 -6.997 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.268 -7.992 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.226 -10.523 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.852 -9.843 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.797 -10.162 -2.168 1.00 0.00 H new ATOM 472 N LYS A 30 -12.480 -6.243 -1.949 1.00 0.00 N ATOM 473 CA LYS A 30 -13.256 -5.016 -1.969 1.00 0.00 C ATOM 474 C LYS A 30 -14.328 -5.039 -0.886 1.00 0.00 C ATOM 475 O LYS A 30 -14.800 -3.989 -0.448 1.00 0.00 O ATOM 476 CB LYS A 30 -13.922 -4.828 -3.342 1.00 0.00 C ATOM 477 CG LYS A 30 -14.475 -6.162 -3.883 1.00 0.00 C ATOM 478 CD LYS A 30 -15.944 -6.312 -3.501 1.00 0.00 C ATOM 479 CE LYS A 30 -16.287 -7.796 -3.372 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.674 -8.015 -3.852 1.00 0.00 N ATOM 0 H LYS A 30 -12.968 -7.056 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.577 -4.184 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.732 -4.103 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.198 -4.419 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.367 -6.197 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.899 -6.994 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.140 -5.799 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.577 -5.846 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.588 -8.396 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.193 -8.115 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.915 -9.023 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.333 -7.452 -3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.747 -7.724 -4.848 1.00 0.00 H new ATOM 494 N GLU A 31 -14.720 -6.240 -0.466 1.00 0.00 N ATOM 495 CA GLU A 31 -15.749 -6.373 0.557 1.00 0.00 C ATOM 496 C GLU A 31 -15.218 -5.893 1.903 1.00 0.00 C ATOM 497 O GLU A 31 -15.676 -4.899 2.439 1.00 0.00 O ATOM 498 CB GLU A 31 -16.176 -7.840 0.660 1.00 0.00 C ATOM 499 CG GLU A 31 -16.780 -8.096 2.035 1.00 0.00 C ATOM 500 CD GLU A 31 -17.617 -9.369 2.017 1.00 0.00 C ATOM 501 OE1 GLU A 31 -17.232 -10.313 2.687 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.631 -9.382 1.339 1.00 0.00 O ATOM 0 H GLU A 31 -14.345 -7.123 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.608 -5.762 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.903 -8.074 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.317 -8.492 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.987 -8.185 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.400 -7.249 2.331 1.00 0.00 H new ATOM 509 N LEU A 32 -14.238 -6.599 2.432 1.00 0.00 N ATOM 510 CA LEU A 32 -13.636 -6.225 3.704 1.00 0.00 C ATOM 511 C LEU A 32 -13.269 -4.746 3.704 1.00 0.00 C ATOM 512 O LEU A 32 -13.052 -4.146 4.756 1.00 0.00 O ATOM 513 CB LEU A 32 -12.381 -7.081 3.967 1.00 0.00 C ATOM 514 CG LEU A 32 -11.172 -6.578 3.145 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.876 -7.122 3.731 1.00 0.00 C ATOM 516 CD2 LEU A 32 -11.298 -7.052 1.700 1.00 0.00 C ATOM 0 H LEU A 32 -13.839 -7.435 2.004 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.361 -6.404 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.137 -7.055 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.588 -8.121 3.713 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.157 -5.489 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.032 -6.761 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.772 -6.783 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.895 -8.212 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.444 -6.695 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.323 -8.141 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.217 -6.658 1.267 1.00 0.00 H new ATOM 528 N LEU A 33 -13.155 -4.176 2.508 1.00 0.00 N ATOM 529 CA LEU A 33 -12.758 -2.781 2.373 1.00 0.00 C ATOM 530 C LEU A 33 -13.851 -1.849 2.864 1.00 0.00 C ATOM 531 O LEU A 33 -13.572 -0.775 3.394 1.00 0.00 O ATOM 532 CB LEU A 33 -12.439 -2.469 0.907 1.00 0.00 C ATOM 533 CG LEU A 33 -10.951 -2.149 0.735 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.611 -0.884 1.514 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.109 -3.316 1.248 1.00 0.00 C ATOM 0 H LEU A 33 -13.331 -4.656 1.625 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.870 -2.622 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.708 -3.320 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.039 -1.624 0.571 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.734 -1.992 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.552 -0.655 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.207 -0.053 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.830 -1.038 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.051 -3.084 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.322 -3.482 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.352 -4.216 0.683 1.00 0.00 H new ATOM 547 N THR A 34 -15.092 -2.267 2.688 1.00 0.00 N ATOM 548 CA THR A 34 -16.221 -1.461 3.118 1.00 0.00 C ATOM 549 C THR A 34 -16.509 -1.697 4.592 1.00 0.00 C ATOM 550 O THR A 34 -17.497 -1.194 5.131 1.00 0.00 O ATOM 551 CB THR A 34 -17.455 -1.816 2.284 1.00 0.00 C ATOM 552 OG1 THR A 34 -18.544 -0.998 2.681 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.828 -3.293 2.474 1.00 0.00 C ATOM 0 H THR A 34 -15.343 -3.155 2.253 1.00 0.00 H new ATOM 0 HA THR A 34 -15.977 -0.408 2.974 1.00 0.00 H new ATOM 0 HB THR A 34 -17.228 -1.645 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.485 -0.819 3.643 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.707 -3.526 1.874 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.996 -3.922 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.046 -3.481 3.525 1.00 0.00 H new ATOM 561 N GLN A 35 -15.650 -2.477 5.238 1.00 0.00 N ATOM 562 CA GLN A 35 -15.855 -2.775 6.642 1.00 0.00 C ATOM 563 C GLN A 35 -15.039 -1.821 7.523 1.00 0.00 C ATOM 564 O GLN A 35 -13.812 -1.881 7.531 1.00 0.00 O ATOM 565 CB GLN A 35 -15.461 -4.229 6.940 1.00 0.00 C ATOM 566 CG GLN A 35 -16.721 -5.097 7.142 1.00 0.00 C ATOM 567 CD GLN A 35 -16.558 -6.416 6.414 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.020 -7.373 6.972 1.00 0.00 O ATOM 569 NE2 GLN A 35 -16.999 -6.519 5.191 1.00 0.00 N ATOM 0 H GLN A 35 -14.824 -2.904 4.820 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.912 -2.639 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.865 -4.627 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.838 -4.268 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.884 -5.276 8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -17.600 -4.571 6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.443 -5.719 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.900 -7.399 4.686 1.00 0.00 H new ATOM 578 N PRO A 36 -15.685 -0.941 8.256 1.00 0.00 N ATOM 579 CA PRO A 36 -14.984 0.036 9.132 1.00 0.00 C ATOM 580 C PRO A 36 -13.784 -0.566 9.862 1.00 0.00 C ATOM 581 O PRO A 36 -13.925 -1.528 10.616 1.00 0.00 O ATOM 582 CB PRO A 36 -16.072 0.453 10.119 1.00 0.00 C ATOM 583 CG PRO A 36 -17.348 0.346 9.356 1.00 0.00 C ATOM 584 CD PRO A 36 -17.151 -0.773 8.346 1.00 0.00 C ATOM 0 HA PRO A 36 -14.560 0.863 8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.080 -0.196 10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.911 1.470 10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -18.182 0.125 10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.581 1.285 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.636 -1.693 8.674 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.580 -0.514 7.378 1.00 0.00 H new ATOM 592 N GLY A 37 -12.607 0.016 9.639 1.00 0.00 N ATOM 593 CA GLY A 37 -11.394 -0.464 10.292 1.00 0.00 C ATOM 594 C GLY A 37 -10.181 0.328 9.823 1.00 0.00 C ATOM 595 O GLY A 37 -9.879 0.371 8.630 1.00 0.00 O ATOM 0 H GLY A 37 -12.469 0.813 9.017 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.497 -0.374 11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.251 -1.522 10.072 1.00 0.00 H new ATOM 599 N ASP A 38 -9.492 0.959 10.769 1.00 0.00 N ATOM 600 CA ASP A 38 -8.317 1.754 10.431 1.00 0.00 C ATOM 601 C ASP A 38 -7.170 0.857 10.004 1.00 0.00 C ATOM 602 O ASP A 38 -6.606 0.141 10.825 1.00 0.00 O ATOM 603 CB ASP A 38 -7.887 2.576 11.646 1.00 0.00 C ATOM 604 CG ASP A 38 -8.688 2.156 12.873 1.00 0.00 C ATOM 605 OD1 ASP A 38 -9.574 2.901 13.260 1.00 0.00 O ATOM 606 OD2 ASP A 38 -8.407 1.096 13.409 1.00 0.00 O ATOM 0 H ASP A 38 -9.723 0.936 11.762 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.574 2.417 9.605 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.822 2.435 11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.039 3.637 11.449 1.00 0.00 H new ATOM 611 N TRP A 39 -6.818 0.927 8.720 1.00 0.00 N ATOM 612 CA TRP A 39 -5.728 0.123 8.178 1.00 0.00 C ATOM 613 C TRP A 39 -4.802 0.980 7.322 1.00 0.00 C ATOM 614 O TRP A 39 -5.129 2.120 6.992 1.00 0.00 O ATOM 615 CB TRP A 39 -6.290 -1.019 7.318 1.00 0.00 C ATOM 616 CG TRP A 39 -7.393 -1.725 8.046 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.360 -2.093 9.346 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.686 -2.170 7.536 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.549 -2.715 9.670 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.395 -2.797 8.588 1.00 0.00 C ATOM 621 CE3 TRP A 39 -9.304 -2.095 6.278 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -10.670 -3.325 8.399 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -10.590 -2.623 6.087 1.00 0.00 C ATOM 624 CH2 TRP A 39 -11.269 -3.241 7.145 1.00 0.00 C ATOM 0 H TRP A 39 -7.273 1.533 8.038 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.164 -0.290 9.014 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.664 -0.622 6.374 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.496 -1.725 7.075 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.535 -1.927 10.023 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.773 -3.071 10.599 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.787 -1.628 5.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -11.190 -3.796 9.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.060 -2.552 5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -12.256 -3.652 6.988 1.00 0.00 H new ATOM 635 N THR A 40 -3.651 0.418 6.957 1.00 0.00 N ATOM 636 CA THR A 40 -2.683 1.132 6.131 1.00 0.00 C ATOM 637 C THR A 40 -2.374 0.324 4.880 1.00 0.00 C ATOM 638 O THR A 40 -1.842 -0.783 4.961 1.00 0.00 O ATOM 639 CB THR A 40 -1.391 1.380 6.916 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.709 1.866 8.215 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.535 2.409 6.179 1.00 0.00 C ATOM 0 H THR A 40 -3.368 -0.526 7.220 1.00 0.00 H new ATOM 0 HA THR A 40 -3.112 2.092 5.845 1.00 0.00 H new ATOM 0 HB THR A 40 -0.836 0.446 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.813 1.111 8.831 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.384 2.585 6.738 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.289 2.033 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.088 3.344 6.087 1.00 0.00 H new ATOM 649 N LEU A 41 -2.720 0.885 3.725 1.00 0.00 N ATOM 650 CA LEU A 41 -2.482 0.209 2.454 1.00 0.00 C ATOM 651 C LEU A 41 -1.371 0.904 1.669 1.00 0.00 C ATOM 652 O LEU A 41 -1.294 2.137 1.629 1.00 0.00 O ATOM 653 CB LEU A 41 -3.770 0.209 1.628 1.00 0.00 C ATOM 654 CG LEU A 41 -4.002 1.611 1.050 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.295 1.779 -0.308 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.505 1.839 0.862 1.00 0.00 C ATOM 0 H LEU A 41 -3.163 1.800 3.643 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.172 -0.816 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.699 -0.522 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.615 -0.084 2.251 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.590 2.340 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.478 2.783 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.223 1.629 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.683 1.044 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.673 2.835 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.903 1.091 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.009 1.754 1.825 1.00 0.00 H new ATOM 668 N PHE A 42 -0.515 0.097 1.042 1.00 0.00 N ATOM 669 CA PHE A 42 0.592 0.622 0.249 1.00 0.00 C ATOM 670 C PHE A 42 0.316 0.404 -1.226 1.00 0.00 C ATOM 671 O PHE A 42 0.620 -0.655 -1.781 1.00 0.00 O ATOM 672 CB PHE A 42 1.898 -0.070 0.638 1.00 0.00 C ATOM 673 CG PHE A 42 2.625 0.767 1.666 1.00 0.00 C ATOM 674 CD1 PHE A 42 1.942 1.277 2.782 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.983 1.043 1.497 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.629 2.050 3.727 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.663 1.812 2.444 1.00 0.00 C ATOM 678 CZ PHE A 42 3.984 2.312 3.556 1.00 0.00 C ATOM 0 H PHE A 42 -0.568 -0.921 1.069 1.00 0.00 H new ATOM 0 HA PHE A 42 0.688 1.690 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.691 -1.061 1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.525 -0.209 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.889 1.074 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.508 0.662 0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.107 2.442 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.715 2.020 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.513 2.905 4.287 1.00 0.00 H new ATOM 688 N VAL A 43 -0.277 1.408 -1.852 1.00 0.00 N ATOM 689 CA VAL A 43 -0.613 1.303 -3.266 1.00 0.00 C ATOM 690 C VAL A 43 0.463 1.946 -4.156 1.00 0.00 C ATOM 691 O VAL A 43 0.669 3.155 -4.105 1.00 0.00 O ATOM 692 CB VAL A 43 -1.955 1.980 -3.547 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.949 3.425 -3.052 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.225 1.975 -5.057 1.00 0.00 C ATOM 0 H VAL A 43 -0.533 2.293 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.673 0.241 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.734 1.428 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.914 3.886 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.766 3.441 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.162 3.981 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.182 2.458 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.431 2.517 -5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.255 0.947 -5.418 1.00 0.00 H new ATOM 704 N PRO A 44 1.137 1.191 -4.986 1.00 0.00 N ATOM 705 CA PRO A 44 2.173 1.748 -5.894 1.00 0.00 C ATOM 706 C PRO A 44 1.552 2.404 -7.130 1.00 0.00 C ATOM 707 O PRO A 44 0.489 1.987 -7.594 1.00 0.00 O ATOM 708 CB PRO A 44 2.991 0.522 -6.279 1.00 0.00 C ATOM 709 CG PRO A 44 2.044 -0.619 -6.212 1.00 0.00 C ATOM 710 CD PRO A 44 1.015 -0.263 -5.153 1.00 0.00 C ATOM 0 HA PRO A 44 2.765 2.534 -5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.410 0.627 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.829 0.378 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.566 -0.784 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.565 -1.541 -5.953 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.010 -0.542 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.212 -0.787 -4.218 1.00 0.00 H new ATOM 718 N THR A 45 2.216 3.430 -7.660 1.00 0.00 N ATOM 719 CA THR A 45 1.707 4.129 -8.839 1.00 0.00 C ATOM 720 C THR A 45 2.228 3.484 -10.123 1.00 0.00 C ATOM 721 O THR A 45 3.023 2.548 -10.082 1.00 0.00 O ATOM 722 CB THR A 45 2.134 5.594 -8.796 1.00 0.00 C ATOM 723 OG1 THR A 45 3.421 5.693 -8.202 1.00 0.00 O ATOM 724 CG2 THR A 45 1.131 6.388 -7.966 1.00 0.00 C ATOM 0 H THR A 45 3.098 3.793 -7.297 1.00 0.00 H new ATOM 0 HA THR A 45 0.619 4.062 -8.833 1.00 0.00 H new ATOM 0 HB THR A 45 2.168 5.995 -9.809 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.008 6.224 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.433 7.435 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.142 6.310 -8.418 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.100 5.988 -6.953 1.00 0.00 H new ATOM 732 N ASN A 46 1.774 3.993 -11.263 1.00 0.00 N ATOM 733 CA ASN A 46 2.205 3.459 -12.548 1.00 0.00 C ATOM 734 C ASN A 46 3.729 3.479 -12.653 1.00 0.00 C ATOM 735 O ASN A 46 4.350 2.517 -13.125 1.00 0.00 O ATOM 736 CB ASN A 46 1.600 4.289 -13.684 1.00 0.00 C ATOM 737 CG ASN A 46 2.419 4.104 -14.957 1.00 0.00 C ATOM 738 OD1 ASN A 46 3.563 4.720 -15.080 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 2.006 3.380 -15.861 1.00 0.00 N flip ATOM 0 H ASN A 46 1.113 4.768 -11.323 1.00 0.00 H new ATOM 0 HA ASN A 46 1.862 2.428 -12.628 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.568 3.985 -13.858 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.579 5.342 -13.405 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.111 2.900 -15.762 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.558 3.259 -16.710 1.00 0.00 H new ATOM 746 N ASP A 47 4.328 4.582 -12.219 1.00 0.00 N ATOM 747 CA ASP A 47 5.777 4.720 -12.274 1.00 0.00 C ATOM 748 C ASP A 47 6.449 3.549 -11.565 1.00 0.00 C ATOM 749 O ASP A 47 7.643 3.308 -11.736 1.00 0.00 O ATOM 750 CB ASP A 47 6.206 6.032 -11.621 1.00 0.00 C ATOM 751 CG ASP A 47 6.481 5.807 -10.142 1.00 0.00 C ATOM 752 OD1 ASP A 47 7.514 5.236 -9.832 1.00 0.00 O ATOM 753 OD2 ASP A 47 5.653 6.205 -9.342 1.00 0.00 O ATOM 0 H ASP A 47 3.837 5.387 -11.829 1.00 0.00 H new ATOM 0 HA ASP A 47 6.084 4.724 -13.320 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.100 6.418 -12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.425 6.783 -11.745 1.00 0.00 H new ATOM 758 N ALA A 48 5.674 2.825 -10.771 1.00 0.00 N ATOM 759 CA ALA A 48 6.199 1.680 -10.043 1.00 0.00 C ATOM 760 C ALA A 48 6.223 0.444 -10.936 1.00 0.00 C ATOM 761 O ALA A 48 7.082 -0.425 -10.787 1.00 0.00 O ATOM 762 CB ALA A 48 5.310 1.396 -8.844 1.00 0.00 C ATOM 0 H ALA A 48 4.683 3.009 -10.615 1.00 0.00 H new ATOM 0 HA ALA A 48 7.214 1.910 -9.719 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.701 0.538 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.293 2.267 -8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.298 1.178 -9.185 1.00 0.00 H new ATOM 768 N PHE A 49 5.269 0.371 -11.860 1.00 0.00 N ATOM 769 CA PHE A 49 5.186 -0.770 -12.766 1.00 0.00 C ATOM 770 C PHE A 49 6.332 -0.720 -13.763 1.00 0.00 C ATOM 771 O PHE A 49 6.841 -1.757 -14.195 1.00 0.00 O ATOM 772 CB PHE A 49 3.854 -0.755 -13.520 1.00 0.00 C ATOM 773 CG PHE A 49 4.117 -0.745 -15.008 1.00 0.00 C ATOM 774 CD1 PHE A 49 4.047 0.457 -15.723 1.00 0.00 C ATOM 775 CD2 PHE A 49 4.435 -1.936 -15.672 1.00 0.00 C ATOM 776 CE1 PHE A 49 4.292 0.467 -17.101 1.00 0.00 C ATOM 777 CE2 PHE A 49 4.679 -1.926 -17.051 1.00 0.00 C ATOM 778 CZ PHE A 49 4.608 -0.724 -17.765 1.00 0.00 C ATOM 0 H PHE A 49 4.550 1.080 -12.000 1.00 0.00 H new ATOM 0 HA PHE A 49 5.252 -1.686 -12.179 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.262 -1.629 -13.251 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.273 0.123 -13.237 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.804 1.376 -15.211 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.492 -2.863 -15.120 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.237 1.394 -17.652 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.922 -2.845 -17.563 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.797 -0.716 -18.828 1.00 0.00 H new ATOM 834 N THR A 53 8.344 -6.690 -16.466 1.00 0.00 N ATOM 835 CA THR A 53 7.585 -7.058 -17.654 1.00 0.00 C ATOM 836 C THR A 53 6.331 -7.830 -17.267 1.00 0.00 C ATOM 837 O THR A 53 6.304 -8.521 -16.247 1.00 0.00 O ATOM 838 CB THR A 53 8.446 -7.911 -18.581 1.00 0.00 C ATOM 839 OG1 THR A 53 8.741 -9.149 -17.947 1.00 0.00 O ATOM 840 CG2 THR A 53 9.742 -7.167 -18.879 1.00 0.00 C ATOM 0 HA THR A 53 7.291 -6.145 -18.172 1.00 0.00 H new ATOM 0 HB THR A 53 7.911 -8.102 -19.511 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.293 -9.698 -18.542 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.364 -7.770 -19.541 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.513 -6.217 -19.361 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.277 -6.982 -17.948 1.00 0.00 H new ATOM 848 N SER A 54 5.294 -7.702 -18.088 1.00 0.00 N ATOM 849 CA SER A 54 4.033 -8.390 -17.828 1.00 0.00 C ATOM 850 C SER A 54 4.280 -9.867 -17.538 1.00 0.00 C ATOM 851 O SER A 54 3.574 -10.473 -16.736 1.00 0.00 O ATOM 852 CB SER A 54 3.098 -8.255 -19.033 1.00 0.00 C ATOM 853 OG SER A 54 3.179 -9.432 -19.825 1.00 0.00 O ATOM 0 H SER A 54 5.300 -7.132 -18.934 1.00 0.00 H new ATOM 0 HA SER A 54 3.566 -7.930 -16.957 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.073 -8.099 -18.697 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.375 -7.384 -19.627 1.00 0.00 H new ATOM 0 HG SER A 54 2.580 -9.349 -20.596 1.00 0.00 H new ATOM 859 N GLU A 55 5.286 -10.438 -18.194 1.00 0.00 N ATOM 860 CA GLU A 55 5.613 -11.843 -17.999 1.00 0.00 C ATOM 861 C GLU A 55 6.237 -12.065 -16.627 1.00 0.00 C ATOM 862 O GLU A 55 5.952 -13.058 -15.958 1.00 0.00 O ATOM 863 CB GLU A 55 6.585 -12.303 -19.086 1.00 0.00 C ATOM 864 CG GLU A 55 6.554 -13.830 -19.184 1.00 0.00 C ATOM 865 CD GLU A 55 7.778 -14.328 -19.944 1.00 0.00 C ATOM 866 OE1 GLU A 55 8.296 -15.369 -19.574 1.00 0.00 O ATOM 867 OE2 GLU A 55 8.180 -13.662 -20.883 1.00 0.00 O ATOM 0 H GLU A 55 5.885 -9.951 -18.861 1.00 0.00 H new ATOM 0 HA GLU A 55 4.693 -12.424 -18.061 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.312 -11.861 -20.044 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.594 -11.963 -18.854 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.533 -14.266 -18.185 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.645 -14.152 -19.692 1.00 0.00 H new ATOM 874 N GLU A 56 7.092 -11.134 -16.218 1.00 0.00 N ATOM 875 CA GLU A 56 7.757 -11.236 -14.924 1.00 0.00 C ATOM 876 C GLU A 56 6.731 -11.359 -13.803 1.00 0.00 C ATOM 877 O GLU A 56 6.828 -12.251 -12.960 1.00 0.00 O ATOM 878 CB GLU A 56 8.631 -10.002 -14.683 1.00 0.00 C ATOM 879 CG GLU A 56 10.067 -10.437 -14.382 1.00 0.00 C ATOM 880 CD GLU A 56 10.960 -9.213 -14.217 1.00 0.00 C ATOM 881 OE1 GLU A 56 12.131 -9.392 -13.929 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.459 -8.112 -14.382 1.00 0.00 O ATOM 0 H GLU A 56 7.340 -10.306 -16.759 1.00 0.00 H new ATOM 0 HA GLU A 56 8.383 -12.128 -14.930 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.613 -9.355 -15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.235 -9.421 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.090 -11.039 -13.474 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.442 -11.065 -15.190 1.00 0.00 H new ATOM 889 N LYS A 57 5.751 -10.460 -13.799 1.00 0.00 N ATOM 890 CA LYS A 57 4.717 -10.483 -12.775 1.00 0.00 C ATOM 891 C LYS A 57 3.778 -11.668 -12.987 1.00 0.00 C ATOM 892 O LYS A 57 3.297 -12.267 -12.027 1.00 0.00 O ATOM 893 CB LYS A 57 3.920 -9.179 -12.813 1.00 0.00 C ATOM 894 CG LYS A 57 3.324 -8.994 -14.207 1.00 0.00 C ATOM 895 CD LYS A 57 2.634 -7.632 -14.291 1.00 0.00 C ATOM 896 CE LYS A 57 1.346 -7.753 -15.107 1.00 0.00 C ATOM 897 NZ LYS A 57 0.243 -8.231 -14.224 1.00 0.00 N ATOM 0 H LYS A 57 5.653 -9.714 -14.487 1.00 0.00 H new ATOM 0 HA LYS A 57 5.195 -10.587 -11.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.127 -9.202 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.566 -8.337 -12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.108 -9.063 -14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.609 -9.789 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.408 -7.266 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.301 -6.904 -14.753 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.086 -6.788 -15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.491 -8.447 -15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.634 -8.314 -14.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.492 -9.160 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.100 -7.553 -13.449 1.00 0.00 H new ATOM 911 N GLU A 58 3.520 -12.003 -14.248 1.00 0.00 N ATOM 912 CA GLU A 58 2.640 -13.117 -14.565 1.00 0.00 C ATOM 913 C GLU A 58 3.113 -14.390 -13.870 1.00 0.00 C ATOM 914 O GLU A 58 2.329 -15.103 -13.253 1.00 0.00 O ATOM 915 CB GLU A 58 2.614 -13.335 -16.079 1.00 0.00 C ATOM 916 CG GLU A 58 1.631 -14.446 -16.411 1.00 0.00 C ATOM 917 CD GLU A 58 1.333 -14.455 -17.909 1.00 0.00 C ATOM 918 OE1 GLU A 58 0.165 -14.464 -18.260 1.00 0.00 O ATOM 919 OE2 GLU A 58 2.277 -14.453 -18.683 1.00 0.00 O ATOM 0 H GLU A 58 3.906 -11.521 -15.060 1.00 0.00 H new ATOM 0 HA GLU A 58 1.636 -12.881 -14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.324 -12.414 -16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.610 -13.596 -16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.043 -15.409 -16.109 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.707 -14.304 -15.850 1.00 0.00 H new ATOM 926 N ILE A 59 4.397 -14.677 -13.971 1.00 0.00 N ATOM 927 CA ILE A 59 4.944 -15.874 -13.340 1.00 0.00 C ATOM 928 C ILE A 59 4.598 -15.897 -11.856 1.00 0.00 C ATOM 929 O ILE A 59 4.604 -16.953 -11.222 1.00 0.00 O ATOM 930 CB ILE A 59 6.462 -15.886 -13.509 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.820 -15.858 -15.010 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.044 -17.149 -12.874 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.104 -15.044 -15.278 1.00 0.00 C ATOM 0 H ILE A 59 5.077 -14.109 -14.476 1.00 0.00 H new ATOM 0 HA ILE A 59 4.511 -16.754 -13.816 1.00 0.00 H new ATOM 0 HB ILE A 59 6.881 -15.007 -13.019 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.954 -16.878 -15.371 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.992 -15.427 -15.573 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.127 -17.152 -12.997 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.800 -17.168 -11.812 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.621 -18.028 -13.359 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.322 -15.049 -16.346 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.961 -14.017 -14.941 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.938 -15.490 -14.736 1.00 0.00 H new ATOM 945 N LEU A 60 4.304 -14.730 -11.302 1.00 0.00 N ATOM 946 CA LEU A 60 3.968 -14.642 -9.898 1.00 0.00 C ATOM 947 C LEU A 60 2.474 -14.862 -9.690 1.00 0.00 C ATOM 948 O LEU A 60 2.064 -15.713 -8.904 1.00 0.00 O ATOM 949 CB LEU A 60 4.361 -13.272 -9.349 1.00 0.00 C ATOM 950 CG LEU A 60 5.712 -12.861 -9.930 1.00 0.00 C ATOM 951 CD1 LEU A 60 6.158 -11.547 -9.296 1.00 0.00 C ATOM 952 CD2 LEU A 60 6.747 -13.947 -9.629 1.00 0.00 C ATOM 0 H LEU A 60 4.292 -13.841 -11.802 1.00 0.00 H new ATOM 0 HA LEU A 60 4.518 -15.418 -9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.602 -12.533 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.416 -13.306 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 60 5.621 -12.733 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.122 -11.252 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.421 -10.772 -9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.250 -11.676 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.712 -13.655 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.839 -14.073 -8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.429 -14.888 -10.079 1.00 0.00 H new ATOM 964 N ILE A 61 1.665 -14.081 -10.396 1.00 0.00 N ATOM 965 CA ILE A 61 0.220 -14.189 -10.266 1.00 0.00 C ATOM 966 C ILE A 61 -0.267 -15.586 -10.647 1.00 0.00 C ATOM 967 O ILE A 61 -1.414 -15.952 -10.385 1.00 0.00 O ATOM 968 CB ILE A 61 -0.469 -13.142 -11.148 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.495 -13.591 -12.609 1.00 0.00 C ATOM 970 CG2 ILE A 61 0.301 -11.822 -11.066 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.872 -14.105 -12.985 1.00 0.00 C ATOM 0 H ILE A 61 1.982 -13.373 -11.058 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.037 -14.010 -9.222 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.491 -13.017 -10.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.223 -12.757 -13.256 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.247 -14.373 -12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.188 -11.076 -11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.317 -11.474 -10.033 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.323 -11.975 -11.413 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.870 -14.420 -14.029 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.130 -14.953 -12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.607 -13.312 -12.846 1.00 0.00 H new ATOM 983 N ARG A 62 0.613 -16.356 -11.276 1.00 0.00 N ATOM 984 CA ARG A 62 0.262 -17.698 -11.712 1.00 0.00 C ATOM 985 C ARG A 62 -0.210 -18.536 -10.533 1.00 0.00 C ATOM 986 O ARG A 62 -1.124 -19.350 -10.661 1.00 0.00 O ATOM 987 CB ARG A 62 1.477 -18.364 -12.360 1.00 0.00 C ATOM 988 CG ARG A 62 1.092 -19.759 -12.855 1.00 0.00 C ATOM 989 CD ARG A 62 2.152 -20.265 -13.834 1.00 0.00 C ATOM 990 NE ARG A 62 1.687 -20.106 -15.208 1.00 0.00 N ATOM 991 CZ ARG A 62 0.698 -20.851 -15.689 1.00 0.00 C ATOM 992 NH1 ARG A 62 0.120 -21.740 -14.928 1.00 0.00 N ATOM 993 NH2 ARG A 62 0.306 -20.697 -16.924 1.00 0.00 N ATOM 0 H ARG A 62 1.569 -16.074 -11.494 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.548 -17.627 -12.438 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.836 -17.758 -13.192 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.293 -18.434 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.004 -20.444 -12.012 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.118 -19.727 -13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.082 -19.714 -13.691 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.369 -21.314 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 62 2.129 -19.411 -15.809 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.428 -21.863 -13.963 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.639 -22.312 -15.298 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.759 -20.004 -17.520 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.453 -21.269 -17.293 1.00 0.00 H new ATOM 1007 N ASP A 63 0.416 -18.323 -9.386 1.00 0.00 N ATOM 1008 CA ASP A 63 0.048 -19.058 -8.178 1.00 0.00 C ATOM 1009 C ASP A 63 -0.964 -18.274 -7.355 1.00 0.00 C ATOM 1010 O ASP A 63 -0.802 -17.074 -7.130 1.00 0.00 O ATOM 1011 CB ASP A 63 1.288 -19.336 -7.331 1.00 0.00 C ATOM 1012 CG ASP A 63 1.671 -20.808 -7.444 1.00 0.00 C ATOM 1013 OD1 ASP A 63 1.611 -21.495 -6.437 1.00 0.00 O ATOM 1014 OD2 ASP A 63 2.018 -21.227 -8.535 1.00 0.00 O ATOM 0 H ASP A 63 1.176 -17.654 -9.262 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.403 -20.003 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.115 -18.709 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.093 -19.080 -6.289 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.013 -18.957 -6.914 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.037 -18.302 -6.121 1.00 0.00 C ATOM 1021 C LYS A 64 -2.424 -17.704 -4.859 1.00 0.00 C ATOM 1022 O LYS A 64 -2.744 -16.596 -4.467 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.140 -19.308 -5.737 1.00 0.00 C ATOM 1024 CG LYS A 64 -4.947 -18.816 -4.517 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.597 -17.463 -4.839 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.054 -17.497 -4.401 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.130 -17.982 -2.997 1.00 0.00 N ATOM 0 H LYS A 64 -2.173 -19.949 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.477 -17.502 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.811 -19.457 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.691 -20.275 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.714 -19.546 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.293 -18.719 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.068 -16.660 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.530 -17.258 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.493 -16.503 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.628 -18.152 -5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.946 -17.545 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.240 -19.016 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.257 -17.725 -2.493 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.549 -18.455 -4.216 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.927 -17.980 -2.990 1.00 0.00 C ATOM 1043 C ASN A 65 0.007 -16.812 -3.284 1.00 0.00 C ATOM 1044 O ASN A 65 0.215 -15.931 -2.439 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.139 -19.120 -2.340 1.00 0.00 C ATOM 1046 CG ASN A 65 -0.926 -19.712 -1.173 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.370 -19.926 -0.096 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.189 -19.994 -1.327 1.00 0.00 N ATOM 0 H ASN A 65 -1.255 -19.385 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.707 -17.640 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.068 -19.895 -3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.824 -18.750 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.720 -20.394 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.646 -19.815 -2.221 1.00 0.00 H new ATOM 1055 N ALA A 66 0.571 -16.814 -4.485 1.00 0.00 N ATOM 1056 CA ALA A 66 1.498 -15.762 -4.879 1.00 0.00 C ATOM 1057 C ALA A 66 0.783 -14.430 -5.077 1.00 0.00 C ATOM 1058 O ALA A 66 1.080 -13.436 -4.397 1.00 0.00 O ATOM 1059 CB ALA A 66 2.188 -16.152 -6.185 1.00 0.00 C ATOM 0 H ALA A 66 0.405 -17.525 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 66 2.230 -15.646 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.882 -15.364 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.736 -17.084 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.439 -16.287 -6.966 1.00 0.00 H new ATOM 1065 N LEU A 67 -0.161 -14.408 -6.005 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.895 -13.190 -6.265 1.00 0.00 C ATOM 1067 C LEU A 67 -1.572 -12.723 -4.988 1.00 0.00 C ATOM 1068 O LEU A 67 -1.711 -11.528 -4.758 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.933 -13.414 -7.391 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.369 -13.432 -6.839 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.358 -13.287 -7.975 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.598 -14.754 -6.111 1.00 0.00 C ATOM 0 H LEU A 67 -0.430 -15.207 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.203 -12.417 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.839 -12.624 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.725 -14.357 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.511 -12.602 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.373 -13.300 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.183 -12.343 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.231 -14.113 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.613 -14.780 -5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.459 -15.581 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.886 -14.846 -5.291 1.00 0.00 H new ATOM 1084 N GLN A 68 -2.031 -13.670 -4.175 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.739 -13.318 -2.957 1.00 0.00 C ATOM 1086 C GLN A 68 -1.847 -12.483 -2.048 1.00 0.00 C ATOM 1087 O GLN A 68 -2.218 -11.386 -1.597 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.199 -14.578 -2.221 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.724 -14.773 -2.407 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.482 -13.845 -1.482 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.581 -12.586 -1.804 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.994 -14.275 -0.447 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.926 -14.672 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.616 -12.730 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.664 -15.448 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.961 -14.497 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.001 -14.573 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.995 -15.808 -2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.908 -15.263 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.504 -13.643 0.171 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.661 -13.010 -1.787 1.00 0.00 N ATOM 1102 CA ASN A 69 0.287 -12.314 -0.942 1.00 0.00 C ATOM 1103 C ASN A 69 0.532 -10.914 -1.482 1.00 0.00 C ATOM 1104 O ASN A 69 0.643 -9.955 -0.721 1.00 0.00 O ATOM 1105 CB ASN A 69 1.607 -13.082 -0.887 1.00 0.00 C ATOM 1106 CG ASN A 69 2.754 -12.134 -0.565 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.194 -11.322 -1.487 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 3.269 -12.135 0.553 1.00 0.00 N flip ATOM 0 H ASN A 69 -0.337 -13.908 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.126 -12.244 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.549 -13.865 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.790 -13.574 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.924 -12.770 1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.041 -11.501 0.760 1.00 0.00 H new ATOM 1115 N ILE A 70 0.616 -10.802 -2.804 1.00 0.00 N ATOM 1116 CA ILE A 70 0.849 -9.504 -3.427 1.00 0.00 C ATOM 1117 C ILE A 70 -0.440 -8.689 -3.462 1.00 0.00 C ATOM 1118 O ILE A 70 -0.420 -7.468 -3.315 1.00 0.00 O ATOM 1119 CB ILE A 70 1.364 -9.692 -4.852 1.00 0.00 C ATOM 1120 CG1 ILE A 70 2.707 -10.428 -4.812 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.553 -8.325 -5.522 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.145 -10.801 -6.234 1.00 0.00 C ATOM 0 H ILE A 70 0.528 -11.581 -3.456 1.00 0.00 H new ATOM 0 HA ILE A 70 1.594 -8.970 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 70 0.641 -10.275 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.463 -9.797 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.620 -11.327 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.921 -8.466 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.599 -7.799 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.274 -7.738 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.101 -11.324 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.395 -11.449 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.251 -9.895 -6.831 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.556 -9.369 -3.669 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.842 -8.694 -3.732 1.00 0.00 C ATOM 1136 C ILE A 71 -3.006 -7.774 -2.539 1.00 0.00 C ATOM 1137 O ILE A 71 -3.460 -6.644 -2.683 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.982 -9.716 -3.729 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.310 -10.142 -5.163 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -5.239 -9.140 -3.063 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.214 -9.113 -5.818 1.00 0.00 C ATOM 0 H ILE A 71 -1.598 -10.380 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.877 -8.113 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.654 -10.584 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.390 -10.249 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.798 -11.117 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.032 -9.888 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.012 -8.868 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.566 -8.255 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.442 -9.425 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.140 -9.028 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.710 -8.147 -5.838 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.653 -8.268 -1.355 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.793 -7.460 -0.155 1.00 0.00 C ATOM 1155 C LEU A 72 -1.832 -6.282 -0.164 1.00 0.00 C ATOM 1156 O LEU A 72 -1.783 -5.525 0.802 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.530 -8.317 1.070 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.558 -9.446 1.110 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.837 -10.741 1.451 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.626 -9.137 2.176 1.00 0.00 C ATOM 0 H LEU A 72 -2.276 -9.204 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.810 -7.070 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.521 -8.727 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.597 -7.713 1.975 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.051 -9.542 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.556 -11.560 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.084 -10.949 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.353 -10.643 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.358 -9.944 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.150 -9.047 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.127 -8.201 1.929 1.00 0.00 H new ATOM 1172 N TYR A 73 -1.077 -6.137 -1.255 1.00 0.00 N ATOM 1173 CA TYR A 73 -0.122 -5.045 -1.388 1.00 0.00 C ATOM 1174 C TYR A 73 0.482 -4.682 -0.044 1.00 0.00 C ATOM 1175 O TYR A 73 0.746 -3.514 0.226 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.808 -3.822 -2.000 1.00 0.00 C ATOM 1177 CG TYR A 73 -2.198 -3.683 -1.437 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -3.304 -4.049 -2.213 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.382 -3.207 -0.136 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -4.596 -3.936 -1.687 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -3.673 -3.094 0.390 1.00 0.00 C ATOM 1182 CZ TYR A 73 -4.779 -3.461 -0.384 1.00 0.00 C ATOM 1183 OH TYR A 73 -6.052 -3.350 0.138 1.00 0.00 O ATOM 0 H TYR A 73 -1.112 -6.765 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 73 0.683 -5.374 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.228 -2.924 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.853 -3.923 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.160 -4.419 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.528 -2.927 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.450 -4.215 -2.286 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.816 -2.723 1.394 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.001 -3.005 1.054 1.00 0.00 H new ATOM 1193 N HIS A 74 0.700 -5.691 0.797 1.00 0.00 N ATOM 1194 CA HIS A 74 1.280 -5.459 2.113 1.00 0.00 C ATOM 1195 C HIS A 74 0.282 -4.765 3.028 1.00 0.00 C ATOM 1196 O HIS A 74 0.622 -3.805 3.720 1.00 0.00 O ATOM 1197 CB HIS A 74 2.549 -4.616 1.988 1.00 0.00 C ATOM 1198 CG HIS A 74 3.316 -5.047 0.761 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.050 -4.537 -0.503 1.00 0.00 N ATOM 1200 CD2 HIS A 74 4.344 -5.939 0.593 1.00 0.00 C ATOM 1201 CE1 HIS A 74 3.908 -5.117 -1.367 1.00 0.00 C ATOM 1202 NE2 HIS A 74 4.716 -5.983 -0.748 1.00 0.00 N ATOM 0 H HIS A 74 0.485 -6.667 0.591 1.00 0.00 H new ATOM 0 HA HIS A 74 1.535 -6.425 2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.292 -3.559 1.917 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.167 -4.735 2.878 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.335 -3.848 -0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.797 -6.520 1.382 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.938 -4.908 -2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.449 -6.554 -1.168 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.957 -5.252 3.031 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.980 -4.656 3.875 1.00 0.00 C ATOM 1213 C LEU A 75 -1.588 -4.763 5.339 1.00 0.00 C ATOM 1214 O LEU A 75 -1.275 -5.854 5.818 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.321 -5.369 3.664 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.340 -4.926 4.721 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.501 -3.408 4.685 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.688 -5.587 4.426 1.00 0.00 C ATOM 0 H LEU A 75 -1.270 -6.043 2.468 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.077 -3.605 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.703 -5.148 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.178 -6.448 3.719 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.989 -5.224 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.226 -3.101 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.541 -2.935 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.851 -3.103 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.417 -5.276 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.032 -5.286 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.576 -6.671 4.457 1.00 0.00 H new ATOM 1230 N THR A 76 -1.628 -3.636 6.049 1.00 0.00 N ATOM 1231 CA THR A 76 -1.293 -3.638 7.463 1.00 0.00 C ATOM 1232 C THR A 76 -2.509 -3.245 8.309 1.00 0.00 C ATOM 1233 O THR A 76 -3.356 -2.479 7.852 1.00 0.00 O ATOM 1234 CB THR A 76 -0.148 -2.659 7.724 1.00 0.00 C ATOM 1235 OG1 THR A 76 0.995 -3.393 8.137 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.511 -1.645 8.828 1.00 0.00 C ATOM 0 H THR A 76 -1.886 -2.725 5.671 1.00 0.00 H new ATOM 0 HA THR A 76 -0.985 -4.645 7.744 1.00 0.00 H new ATOM 0 HB THR A 76 0.049 -2.109 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.844 -3.755 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.326 -0.965 8.987 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.389 -1.075 8.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.727 -2.177 9.754 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.617 -3.715 9.533 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.737 -3.362 10.439 1.00 0.00 C ATOM 1246 C PRO A 77 -3.388 -2.188 11.345 1.00 0.00 C ATOM 1247 O PRO A 77 -2.323 -2.162 11.968 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.930 -4.654 11.260 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.753 -5.538 10.934 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.736 -4.647 10.237 1.00 0.00 C ATOM 0 HA PRO A 77 -4.631 -3.045 9.902 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.969 -4.435 12.327 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.869 -5.144 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.332 -5.976 11.839 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.053 -6.365 10.290 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.079 -4.140 10.944 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.097 -5.207 9.554 1.00 0.00 H new ATOM 1258 N GLY A 78 -4.291 -1.217 11.414 1.00 0.00 N ATOM 1259 CA GLY A 78 -4.070 -0.042 12.242 1.00 0.00 C ATOM 1260 C GLY A 78 -3.309 1.024 11.466 1.00 0.00 C ATOM 1261 O GLY A 78 -2.209 0.782 10.973 1.00 0.00 O ATOM 0 H GLY A 78 -5.177 -1.221 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.027 0.358 12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.510 -0.320 13.135 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.908 2.201 11.359 1.00 0.00 N ATOM 1266 CA VAL A 79 -3.281 3.305 10.631 1.00 0.00 C ATOM 1267 C VAL A 79 -1.832 3.480 11.080 1.00 0.00 C ATOM 1268 O VAL A 79 -1.518 3.357 12.264 1.00 0.00 O ATOM 1269 CB VAL A 79 -4.050 4.605 10.881 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.453 4.491 10.287 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.157 4.855 12.388 1.00 0.00 C ATOM 0 H VAL A 79 -4.819 2.420 11.762 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.301 3.072 9.566 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.521 5.433 10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.000 5.417 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.381 4.313 9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.981 3.661 10.757 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.705 5.781 12.565 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.685 4.025 12.858 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.158 4.937 12.815 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.955 3.761 10.120 1.00 0.00 N ATOM 1282 CA PHE A 80 0.462 3.942 10.419 1.00 0.00 C ATOM 1283 C PHE A 80 0.771 5.402 10.730 1.00 0.00 C ATOM 1284 O PHE A 80 0.456 6.295 9.944 1.00 0.00 O ATOM 1285 CB PHE A 80 1.306 3.496 9.231 1.00 0.00 C ATOM 1286 CG PHE A 80 2.117 4.667 8.732 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.601 5.501 7.733 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.382 4.924 9.275 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.347 6.595 7.282 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.128 6.016 8.820 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.609 6.852 7.825 1.00 0.00 C ATOM 0 H PHE A 80 -1.198 3.868 9.135 1.00 0.00 H new ATOM 0 HA PHE A 80 0.702 3.336 11.293 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.966 2.680 9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.664 3.117 8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.628 5.300 7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.781 4.280 10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.948 7.241 6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.105 6.214 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.184 7.697 7.476 1.00 0.00 H new ATOM 1301 N ILE A 81 1.392 5.629 11.881 1.00 0.00 N ATOM 1302 CA ILE A 81 1.749 6.980 12.308 1.00 0.00 C ATOM 1303 C ILE A 81 3.248 7.111 12.433 1.00 0.00 C ATOM 1304 O ILE A 81 3.953 6.109 12.555 1.00 0.00 O ATOM 1305 CB ILE A 81 1.094 7.321 13.655 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.435 7.185 13.529 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.458 8.751 14.056 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -1.037 8.481 12.960 1.00 0.00 C ATOM 0 H ILE A 81 1.660 4.896 12.537 1.00 0.00 H new ATOM 0 HA ILE A 81 1.385 7.677 11.553 1.00 0.00 H new ATOM 0 HB ILE A 81 1.455 6.634 14.421 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.681 6.345 12.879 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.870 6.971 14.505 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.992 8.991 15.012 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.541 8.839 14.148 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.101 9.444 13.295 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.118 8.373 12.875 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.806 9.312 13.626 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.614 8.677 11.975 1.00 0.00 H new ATOM 1405 N GLY A 88 14.627 9.498 11.079 1.00 0.00 N ATOM 1406 CA GLY A 88 15.898 8.969 10.588 1.00 0.00 C ATOM 1407 C GLY A 88 16.047 7.491 10.936 1.00 0.00 C ATOM 1408 O GLY A 88 16.807 6.769 10.291 1.00 0.00 O ATOM 0 HA2 GLY A 88 15.957 9.099 9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.723 9.533 11.023 1.00 0.00 H new ATOM 1412 N VAL A 89 15.325 7.049 11.963 1.00 0.00 N ATOM 1413 CA VAL A 89 15.399 5.655 12.382 1.00 0.00 C ATOM 1414 C VAL A 89 14.398 4.804 11.612 1.00 0.00 C ATOM 1415 O VAL A 89 13.331 5.281 11.227 1.00 0.00 O ATOM 1416 CB VAL A 89 15.104 5.546 13.874 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.816 6.669 14.631 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.594 5.660 14.095 1.00 0.00 C ATOM 0 H VAL A 89 14.691 7.628 12.513 1.00 0.00 H new ATOM 0 HA VAL A 89 16.405 5.291 12.175 1.00 0.00 H new ATOM 0 HB VAL A 89 15.462 4.585 14.244 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.600 6.584 15.696 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.891 6.590 14.471 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.465 7.634 14.266 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.375 5.583 15.160 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.243 6.622 13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.086 4.856 13.561 1.00 0.00 H new ATOM 1428 N THR A 90 14.746 3.541 11.394 1.00 0.00 N ATOM 1429 CA THR A 90 13.863 2.636 10.671 1.00 0.00 C ATOM 1430 C THR A 90 13.074 1.768 11.647 1.00 0.00 C ATOM 1431 O THR A 90 13.648 1.169 12.556 1.00 0.00 O ATOM 1432 CB THR A 90 14.678 1.740 9.732 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.032 2.168 9.726 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.109 1.824 8.314 1.00 0.00 C ATOM 0 H THR A 90 15.624 3.124 11.704 1.00 0.00 H new ATOM 0 HA THR A 90 13.166 3.233 10.083 1.00 0.00 H new ATOM 0 HB THR A 90 14.623 0.709 10.081 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.554 1.594 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.691 1.185 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.071 1.492 8.318 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.159 2.855 7.962 1.00 0.00 H new ATOM 1442 N ASN A 91 11.761 1.698 11.448 1.00 0.00 N ATOM 1443 CA ASN A 91 10.904 0.892 12.315 1.00 0.00 C ATOM 1444 C ASN A 91 10.405 -0.344 11.572 1.00 0.00 C ATOM 1445 O ASN A 91 10.005 -0.260 10.411 1.00 0.00 O ATOM 1446 CB ASN A 91 9.712 1.723 12.791 1.00 0.00 C ATOM 1447 CG ASN A 91 9.939 3.196 12.461 1.00 0.00 C ATOM 1448 OD1 ASN A 91 9.689 3.623 11.335 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.401 4.007 13.380 1.00 0.00 N ATOM 0 H ASN A 91 11.269 2.186 10.700 1.00 0.00 H new ATOM 0 HA ASN A 91 11.488 0.572 13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.798 1.371 12.312 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.577 1.599 13.865 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.553 4.992 13.162 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.609 3.654 14.314 1.00 0.00 H new ATOM 1456 N ILE A 92 10.432 -1.488 12.248 1.00 0.00 N ATOM 1457 CA ILE A 92 9.982 -2.743 11.646 1.00 0.00 C ATOM 1458 C ILE A 92 8.505 -2.976 11.936 1.00 0.00 C ATOM 1459 O ILE A 92 8.133 -3.319 13.059 1.00 0.00 O ATOM 1460 CB ILE A 92 10.801 -3.909 12.198 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.270 -3.486 12.332 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.697 -5.100 11.243 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.773 -2.910 11.004 1.00 0.00 C ATOM 0 H ILE A 92 10.759 -1.575 13.210 1.00 0.00 H new ATOM 0 HA ILE A 92 10.123 -2.678 10.567 1.00 0.00 H new ATOM 0 HB ILE A 92 10.416 -4.193 13.177 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.372 -2.742 13.122 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.879 -4.343 12.620 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.281 -5.933 11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.654 -5.401 11.149 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.083 -4.816 10.264 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.816 -2.612 11.108 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.688 -3.666 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.173 -2.041 10.734 1.00 0.00 H new ATOM 1475 N LEU A 93 7.667 -2.781 10.921 1.00 0.00 N ATOM 1476 CA LEU A 93 6.235 -2.966 11.083 1.00 0.00 C ATOM 1477 C LEU A 93 5.800 -4.283 10.463 1.00 0.00 C ATOM 1478 O LEU A 93 6.415 -4.759 9.514 1.00 0.00 O ATOM 1479 CB LEU A 93 5.483 -1.806 10.415 1.00 0.00 C ATOM 1480 CG LEU A 93 5.056 -0.782 11.469 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.287 -0.049 12.010 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.099 0.232 10.837 1.00 0.00 C ATOM 0 H LEU A 93 7.956 -2.497 9.985 1.00 0.00 H new ATOM 0 HA LEU A 93 6.001 -2.984 12.148 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.121 -1.329 9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.607 -2.185 9.889 1.00 0.00 H new ATOM 0 HG LEU A 93 4.555 -1.298 12.288 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.977 0.679 12.760 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.969 -0.769 12.463 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.793 0.465 11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.795 0.962 11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.601 0.744 10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.219 -0.286 10.457 1.00 0.00 H new ATOM 1494 N LYS A 94 4.737 -4.862 11.011 1.00 0.00 N ATOM 1495 CA LYS A 94 4.224 -6.129 10.508 1.00 0.00 C ATOM 1496 C LYS A 94 2.931 -5.912 9.731 1.00 0.00 C ATOM 1497 O LYS A 94 2.090 -5.103 10.125 1.00 0.00 O ATOM 1498 CB LYS A 94 3.968 -7.086 11.674 1.00 0.00 C ATOM 1499 CG LYS A 94 5.301 -7.652 12.165 1.00 0.00 C ATOM 1500 CD LYS A 94 5.148 -8.142 13.606 1.00 0.00 C ATOM 1501 CE LYS A 94 6.373 -8.972 13.997 1.00 0.00 C ATOM 1502 NZ LYS A 94 7.606 -8.155 13.814 1.00 0.00 N ATOM 0 H LYS A 94 4.217 -4.476 11.799 1.00 0.00 H new ATOM 0 HA LYS A 94 4.967 -6.562 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.461 -6.562 12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.310 -7.896 11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.618 -8.473 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.075 -6.887 12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.041 -7.293 14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.243 -8.742 13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.290 -9.297 15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.426 -9.872 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.396 -8.601 14.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.835 -8.095 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.448 -7.199 14.191 1.00 0.00 H new ATOM 1516 N THR A 95 2.782 -6.640 8.626 1.00 0.00 N ATOM 1517 CA THR A 95 1.589 -6.522 7.797 1.00 0.00 C ATOM 1518 C THR A 95 0.817 -7.840 7.769 1.00 0.00 C ATOM 1519 O THR A 95 1.330 -8.888 8.164 1.00 0.00 O ATOM 1520 CB THR A 95 1.976 -6.118 6.373 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.307 -7.283 5.629 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.183 -5.182 6.421 1.00 0.00 C ATOM 0 H THR A 95 3.469 -7.313 8.287 1.00 0.00 H new ATOM 0 HA THR A 95 0.948 -5.753 8.228 1.00 0.00 H new ATOM 0 HB THR A 95 1.140 -5.606 5.896 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.120 -7.687 5.998 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.460 -4.893 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.930 -4.291 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.021 -5.693 6.894 1.00 0.00 H new ATOM 1530 N THR A 96 -0.419 -7.778 7.298 1.00 0.00 N ATOM 1531 CA THR A 96 -1.257 -8.969 7.224 1.00 0.00 C ATOM 1532 C THR A 96 -0.727 -9.934 6.164 1.00 0.00 C ATOM 1533 O THR A 96 -0.935 -11.145 6.253 1.00 0.00 O ATOM 1534 CB THR A 96 -2.705 -8.574 6.894 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.594 -9.446 7.578 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.957 -8.677 5.386 1.00 0.00 C ATOM 0 H THR A 96 -0.863 -6.923 6.963 1.00 0.00 H new ATOM 0 HA THR A 96 -1.234 -9.469 8.192 1.00 0.00 H new ATOM 0 HB THR A 96 -2.872 -7.544 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.519 -9.197 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.987 -8.394 5.169 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.278 -8.008 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.786 -9.702 5.058 1.00 0.00 H new ATOM 1544 N GLN A 97 -0.045 -9.389 5.161 1.00 0.00 N ATOM 1545 CA GLN A 97 0.500 -10.207 4.091 1.00 0.00 C ATOM 1546 C GLN A 97 1.375 -11.316 4.666 1.00 0.00 C ATOM 1547 O GLN A 97 1.604 -12.337 4.017 1.00 0.00 O ATOM 1548 CB GLN A 97 1.334 -9.335 3.146 1.00 0.00 C ATOM 1549 CG GLN A 97 1.953 -10.209 2.053 1.00 0.00 C ATOM 1550 CD GLN A 97 2.578 -9.333 0.975 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.787 -9.591 0.559 1.00 0.00 O flip ATOM 1552 NE2 GLN A 97 1.950 -8.387 0.500 1.00 0.00 N flip ATOM 0 H GLN A 97 0.141 -8.390 5.070 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.325 -10.657 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.707 -8.564 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.118 -8.823 3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.710 -10.864 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.189 -10.851 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.005 -8.187 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.375 -7.803 -0.220 1.00 0.00 H new ATOM 1561 N GLY A 98 1.858 -11.108 5.888 1.00 0.00 N ATOM 1562 CA GLY A 98 2.702 -12.101 6.540 1.00 0.00 C ATOM 1563 C GLY A 98 4.175 -11.734 6.411 1.00 0.00 C ATOM 1564 O GLY A 98 5.047 -12.601 6.448 1.00 0.00 O ATOM 0 H GLY A 98 1.681 -10.269 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.433 -12.177 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.527 -13.081 6.095 1.00 0.00 H new ATOM 1568 N SER A 99 4.444 -10.441 6.260 1.00 0.00 N ATOM 1569 CA SER A 99 5.815 -9.964 6.127 1.00 0.00 C ATOM 1570 C SER A 99 6.008 -8.671 6.911 1.00 0.00 C ATOM 1571 O SER A 99 5.045 -8.073 7.390 1.00 0.00 O ATOM 1572 CB SER A 99 6.144 -9.726 4.653 1.00 0.00 C ATOM 1573 OG SER A 99 4.976 -9.939 3.872 1.00 0.00 O ATOM 0 H SER A 99 3.735 -9.709 6.227 1.00 0.00 H new ATOM 0 HA SER A 99 6.486 -10.723 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.511 -8.710 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.938 -10.400 4.332 1.00 0.00 H new ATOM 0 HG SER A 99 5.149 -9.672 2.945 1.00 0.00 H new ATOM 1579 N LYS A 100 7.260 -8.254 7.039 1.00 0.00 N ATOM 1580 CA LYS A 100 7.588 -7.035 7.768 1.00 0.00 C ATOM 1581 C LYS A 100 7.961 -5.917 6.803 1.00 0.00 C ATOM 1582 O LYS A 100 8.418 -6.174 5.690 1.00 0.00 O ATOM 1583 CB LYS A 100 8.750 -7.294 8.737 1.00 0.00 C ATOM 1584 CG LYS A 100 9.606 -8.469 8.234 1.00 0.00 C ATOM 1585 CD LYS A 100 10.243 -8.111 6.887 1.00 0.00 C ATOM 1586 CE LYS A 100 11.631 -8.736 6.806 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.126 -8.660 5.404 1.00 0.00 N ATOM 0 H LYS A 100 8.066 -8.741 6.648 1.00 0.00 H new ATOM 0 HA LYS A 100 6.710 -6.729 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.365 -6.399 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.362 -7.516 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.382 -8.703 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.989 -9.361 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.620 -8.473 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.312 -7.028 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.316 -8.214 7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.594 -9.775 7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.131 -8.928 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.577 -9.311 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.016 -7.688 5.049 1.00 0.00 H new ATOM 1601 N ILE A 101 7.749 -4.680 7.234 1.00 0.00 N ATOM 1602 CA ILE A 101 8.059 -3.524 6.401 1.00 0.00 C ATOM 1603 C ILE A 101 8.841 -2.484 7.193 1.00 0.00 C ATOM 1604 O ILE A 101 8.584 -2.264 8.377 1.00 0.00 O ATOM 1605 CB ILE A 101 6.760 -2.916 5.871 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.089 -1.835 4.833 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.969 -2.299 7.026 1.00 0.00 C ATOM 1608 CD1 ILE A 101 5.808 -1.378 4.120 1.00 0.00 C ATOM 0 H ILE A 101 7.365 -4.451 8.151 1.00 0.00 H new ATOM 0 HA ILE A 101 8.677 -3.848 5.563 1.00 0.00 H new ATOM 0 HB ILE A 101 6.159 -3.696 5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.565 -0.985 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.800 -2.224 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.044 -1.867 6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.733 -3.071 7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.565 -1.519 7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.054 -0.611 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.349 -2.229 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.110 -0.970 4.851 1.00 0.00 H new ATOM 1620 N PHE A 102 9.810 -1.857 6.535 1.00 0.00 N ATOM 1621 CA PHE A 102 10.638 -0.848 7.191 1.00 0.00 C ATOM 1622 C PHE A 102 10.158 0.563 6.877 1.00 0.00 C ATOM 1623 O PHE A 102 10.131 0.974 5.717 1.00 0.00 O ATOM 1624 CB PHE A 102 12.085 -0.992 6.735 1.00 0.00 C ATOM 1625 CG PHE A 102 12.378 -2.442 6.432 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.088 -2.784 5.275 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.945 -3.442 7.308 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.362 -4.128 4.996 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.219 -4.784 7.030 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.930 -5.128 5.875 1.00 0.00 C ATOM 0 H PHE A 102 10.041 -2.027 5.556 1.00 0.00 H new ATOM 0 HA PHE A 102 10.562 -1.007 8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.260 -0.382 5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.759 -0.628 7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.424 -2.012 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.398 -3.177 8.201 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.907 -4.394 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.882 -5.555 7.707 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.145 -6.165 5.662 1.00 0.00 H new ATOM 1640 N LEU A 103 9.785 1.301 7.922 1.00 0.00 N ATOM 1641 CA LEU A 103 9.307 2.669 7.747 1.00 0.00 C ATOM 1642 C LEU A 103 10.286 3.659 8.342 1.00 0.00 C ATOM 1643 O LEU A 103 10.951 3.371 9.336 1.00 0.00 O ATOM 1644 CB LEU A 103 7.933 2.843 8.412 1.00 0.00 C ATOM 1645 CG LEU A 103 6.813 2.491 7.431 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.635 3.601 6.400 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.131 1.170 6.729 1.00 0.00 C ATOM 0 H LEU A 103 9.805 0.977 8.889 1.00 0.00 H new ATOM 0 HA LEU A 103 9.217 2.861 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.866 2.205 9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.815 3.872 8.753 1.00 0.00 H new ATOM 0 HG LEU A 103 5.883 2.385 7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.834 3.333 5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.381 4.532 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.563 3.733 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.329 0.926 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.070 1.265 6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.221 0.376 7.471 1.00 0.00 H new ATOM 1659 N LYS A 104 10.372 4.831 7.719 1.00 0.00 N ATOM 1660 CA LYS A 104 11.279 5.862 8.189 1.00 0.00 C ATOM 1661 C LYS A 104 10.806 7.241 7.741 1.00 0.00 C ATOM 1662 O LYS A 104 10.340 7.415 6.617 1.00 0.00 O ATOM 1663 CB LYS A 104 12.687 5.600 7.646 1.00 0.00 C ATOM 1664 CG LYS A 104 13.521 6.882 7.741 1.00 0.00 C ATOM 1665 CD LYS A 104 15.006 6.536 7.626 1.00 0.00 C ATOM 1666 CE LYS A 104 15.292 5.918 6.255 1.00 0.00 C ATOM 1667 NZ LYS A 104 15.351 4.435 6.384 1.00 0.00 N ATOM 0 H LYS A 104 9.828 5.085 6.895 1.00 0.00 H new ATOM 0 HA LYS A 104 11.297 5.836 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.164 4.801 8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.632 5.266 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.236 7.573 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.327 7.385 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.609 7.434 7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.288 5.839 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.514 6.202 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.235 6.298 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.015 4.052 5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.674 4.182 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.405 4.034 6.221 1.00 0.00 H new ATOM 1681 N GLU A 105 10.933 8.217 8.630 1.00 0.00 N ATOM 1682 CA GLU A 105 10.523 9.582 8.323 1.00 0.00 C ATOM 1683 C GLU A 105 11.692 10.542 8.505 1.00 0.00 C ATOM 1684 O GLU A 105 12.410 10.479 9.510 1.00 0.00 O ATOM 1685 CB GLU A 105 9.371 9.999 9.238 1.00 0.00 C ATOM 1686 CG GLU A 105 8.450 10.969 8.493 1.00 0.00 C ATOM 1687 CD GLU A 105 7.587 11.736 9.486 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.068 12.721 10.023 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.455 11.330 9.696 1.00 0.00 O ATOM 0 H GLU A 105 11.315 8.090 9.567 1.00 0.00 H new ATOM 0 HA GLU A 105 10.193 9.619 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.810 9.121 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.762 10.472 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.044 11.665 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.816 10.419 7.797 1.00 0.00 H new ATOM 1696 N VAL A 106 11.877 11.426 7.525 1.00 0.00 N ATOM 1697 CA VAL A 106 12.954 12.407 7.574 1.00 0.00 C ATOM 1698 C VAL A 106 12.557 13.683 6.838 1.00 0.00 C ATOM 1699 O VAL A 106 11.880 13.634 5.811 1.00 0.00 O ATOM 1700 CB VAL A 106 14.220 11.828 6.943 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.198 12.956 6.627 1.00 0.00 C ATOM 1702 CG2 VAL A 106 14.863 10.838 7.911 1.00 0.00 C ATOM 0 H VAL A 106 11.294 11.481 6.690 1.00 0.00 H new ATOM 0 HA VAL A 106 13.146 12.649 8.619 1.00 0.00 H new ATOM 0 HB VAL A 106 13.963 11.311 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.100 12.540 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.734 13.655 5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.459 13.479 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.766 10.424 7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.121 11.351 8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.162 10.031 8.125 1.00 0.00 H new ATOM 1712 N ASN A 107 12.984 14.822 7.370 1.00 0.00 N ATOM 1713 CA ASN A 107 12.671 16.107 6.757 1.00 0.00 C ATOM 1714 C ASN A 107 11.180 16.202 6.443 1.00 0.00 C ATOM 1715 O ASN A 107 10.786 16.774 5.428 1.00 0.00 O ATOM 1716 CB ASN A 107 13.477 16.283 5.470 1.00 0.00 C ATOM 1717 CG ASN A 107 14.966 16.125 5.763 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.403 16.293 6.980 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 15.750 15.841 4.858 1.00 0.00 N flip ATOM 0 H ASN A 107 13.545 14.882 8.220 1.00 0.00 H new ATOM 0 HA ASN A 107 12.934 16.897 7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.163 15.546 4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.284 17.267 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.405 15.710 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.745 15.736 5.059 1.00 0.00 H new ATOM 1726 N ASP A 108 10.358 15.637 7.321 1.00 0.00 N ATOM 1727 CA ASP A 108 8.913 15.665 7.127 1.00 0.00 C ATOM 1728 C ASP A 108 8.523 14.887 5.876 1.00 0.00 C ATOM 1729 O ASP A 108 7.471 15.134 5.285 1.00 0.00 O ATOM 1730 CB ASP A 108 8.430 17.112 6.999 1.00 0.00 C ATOM 1731 CG ASP A 108 7.274 17.362 7.959 1.00 0.00 C ATOM 1732 OD1 ASP A 108 6.221 17.768 7.494 1.00 0.00 O ATOM 1733 OD2 ASP A 108 7.457 17.146 9.146 1.00 0.00 O ATOM 0 H ASP A 108 10.664 15.158 8.168 1.00 0.00 H new ATOM 0 HA ASP A 108 8.442 15.199 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.249 17.798 7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.112 17.309 5.975 1.00 0.00 H new ATOM 1738 N THR A 109 9.381 13.949 5.476 1.00 0.00 N ATOM 1739 CA THR A 109 9.124 13.138 4.289 1.00 0.00 C ATOM 1740 C THR A 109 9.017 11.663 4.652 1.00 0.00 C ATOM 1741 O THR A 109 9.878 11.125 5.349 1.00 0.00 O ATOM 1742 CB THR A 109 10.252 13.326 3.273 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.659 14.688 3.264 1.00 0.00 O ATOM 1744 CG2 THR A 109 9.749 12.934 1.889 1.00 0.00 C ATOM 0 H THR A 109 10.256 13.733 5.955 1.00 0.00 H new ATOM 0 HA THR A 109 8.179 13.464 3.855 1.00 0.00 H new ATOM 0 HB THR A 109 11.101 12.698 3.545 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.236 14.862 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.549 13.066 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.435 11.890 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 109 8.903 13.565 1.617 1.00 0.00 H new ATOM 1752 N LEU A 110 7.962 11.010 4.172 1.00 0.00 N ATOM 1753 CA LEU A 110 7.772 9.605 4.455 1.00 0.00 C ATOM 1754 C LEU A 110 8.715 8.765 3.598 1.00 0.00 C ATOM 1755 O LEU A 110 8.541 8.674 2.383 1.00 0.00 O ATOM 1756 CB LEU A 110 6.327 9.210 4.156 1.00 0.00 C ATOM 1757 CG LEU A 110 5.925 8.030 5.039 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.566 7.503 4.601 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.932 6.892 4.893 1.00 0.00 C ATOM 0 H LEU A 110 7.237 11.432 3.592 1.00 0.00 H new ATOM 0 HA LEU A 110 7.989 9.425 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.663 10.055 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.223 8.943 3.104 1.00 0.00 H new ATOM 0 HG LEU A 110 5.893 8.373 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.281 6.661 5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.822 8.294 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.620 7.176 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.633 6.058 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.963 6.564 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.920 7.240 5.193 1.00 0.00 H new ATOM 1771 N LEU A 111 9.707 8.150 4.241 1.00 0.00 N ATOM 1772 CA LEU A 111 10.665 7.310 3.533 1.00 0.00 C ATOM 1773 C LEU A 111 10.555 5.871 4.027 1.00 0.00 C ATOM 1774 O LEU A 111 10.716 5.599 5.215 1.00 0.00 O ATOM 1775 CB LEU A 111 12.081 7.821 3.757 1.00 0.00 C ATOM 1776 CG LEU A 111 12.313 9.002 2.828 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.255 9.987 3.466 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.929 8.502 1.534 1.00 0.00 C ATOM 0 H LEU A 111 9.866 8.219 5.246 1.00 0.00 H new ATOM 0 HA LEU A 111 10.441 7.345 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.216 8.122 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.806 7.032 3.557 1.00 0.00 H new ATOM 0 HG LEU A 111 11.360 9.492 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.413 10.828 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.826 10.347 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.209 9.500 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.098 9.344 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.879 8.012 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.253 7.790 1.060 1.00 0.00 H new ATOM 1790 N VAL A 112 10.277 4.953 3.116 1.00 0.00 N ATOM 1791 CA VAL A 112 10.141 3.539 3.488 1.00 0.00 C ATOM 1792 C VAL A 112 11.211 2.706 2.801 1.00 0.00 C ATOM 1793 O VAL A 112 11.540 2.948 1.643 1.00 0.00 O ATOM 1794 CB VAL A 112 8.756 3.027 3.094 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.235 3.801 1.883 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.810 1.529 2.767 1.00 0.00 C ATOM 0 H VAL A 112 10.141 5.149 2.124 1.00 0.00 H new ATOM 0 HA VAL A 112 10.264 3.449 4.567 1.00 0.00 H new ATOM 0 HB VAL A 112 8.080 3.179 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.248 3.428 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.168 4.861 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.918 3.667 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.815 1.181 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.498 1.362 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.155 0.978 3.642 1.00 0.00 H new ATOM 1806 N ASN A 113 11.754 1.726 3.525 1.00 0.00 N ATOM 1807 CA ASN A 113 12.793 0.862 2.972 1.00 0.00 C ATOM 1808 C ASN A 113 13.992 1.698 2.536 1.00 0.00 C ATOM 1809 O ASN A 113 15.022 1.721 3.209 1.00 0.00 O ATOM 1810 CB ASN A 113 12.245 0.067 1.779 1.00 0.00 C ATOM 1811 CG ASN A 113 11.889 -1.349 2.216 1.00 0.00 C ATOM 1812 OD1 ASN A 113 11.389 -1.551 3.404 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 12.067 -2.299 1.452 1.00 0.00 N flip ATOM 0 H ASN A 113 11.493 1.513 4.488 1.00 0.00 H new ATOM 0 HA ASN A 113 13.112 0.161 3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.363 0.564 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.987 0.035 0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.458 -2.140 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.823 -3.244 1.748 1.00 0.00 H new ATOM 1820 N GLU A 114 13.844 2.389 1.412 1.00 0.00 N ATOM 1821 CA GLU A 114 14.913 3.232 0.895 1.00 0.00 C ATOM 1822 C GLU A 114 14.436 4.001 -0.334 1.00 0.00 C ATOM 1823 O GLU A 114 15.144 4.084 -1.338 1.00 0.00 O ATOM 1824 CB GLU A 114 16.125 2.376 0.526 1.00 0.00 C ATOM 1825 CG GLU A 114 15.695 1.246 -0.414 1.00 0.00 C ATOM 1826 CD GLU A 114 16.922 0.586 -1.029 1.00 0.00 C ATOM 1827 OE1 GLU A 114 16.967 0.480 -2.243 1.00 0.00 O ATOM 1828 OE2 GLU A 114 17.800 0.195 -0.276 1.00 0.00 O ATOM 0 H GLU A 114 12.997 2.382 0.844 1.00 0.00 H new ATOM 0 HA GLU A 114 15.198 3.944 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.884 2.993 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.576 1.960 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 114 15.111 0.507 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.051 1.641 -1.200 1.00 0.00 H new ATOM 1835 N LEU A 115 13.235 4.561 -0.249 1.00 0.00 N ATOM 1836 CA LEU A 115 12.679 5.315 -1.364 1.00 0.00 C ATOM 1837 C LEU A 115 11.661 6.327 -0.857 1.00 0.00 C ATOM 1838 O LEU A 115 10.985 6.094 0.153 1.00 0.00 O ATOM 1839 CB LEU A 115 12.019 4.357 -2.358 1.00 0.00 C ATOM 1840 CG LEU A 115 10.690 3.845 -1.768 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.540 4.838 -2.025 1.00 0.00 C ATOM 1842 CD2 LEU A 115 10.332 2.495 -2.396 1.00 0.00 C ATOM 0 H LEU A 115 12.633 4.508 0.573 1.00 0.00 H new ATOM 0 HA LEU A 115 13.483 5.852 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.838 4.866 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.683 3.519 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 115 10.822 3.738 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.618 4.446 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.777 5.796 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.411 4.975 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.392 2.136 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.227 2.612 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.122 1.774 -2.185 1.00 0.00 H new ATOM 1854 N LYS A 116 11.557 7.450 -1.561 1.00 0.00 N ATOM 1855 CA LYS A 116 10.623 8.504 -1.182 1.00 0.00 C ATOM 1856 C LYS A 116 9.218 8.186 -1.682 1.00 0.00 C ATOM 1857 O LYS A 116 9.027 7.830 -2.845 1.00 0.00 O ATOM 1858 CB LYS A 116 11.073 9.831 -1.782 1.00 0.00 C ATOM 1859 CG LYS A 116 10.815 10.953 -0.770 1.00 0.00 C ATOM 1860 CD LYS A 116 10.898 12.324 -1.448 1.00 0.00 C ATOM 1861 CE LYS A 116 12.356 12.788 -1.481 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.550 13.719 -2.628 1.00 0.00 N ATOM 0 H LYS A 116 12.107 7.653 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 116 10.607 8.571 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.132 9.789 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.532 10.028 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.831 10.824 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.545 10.896 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.501 12.265 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.287 13.047 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.613 13.286 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.021 11.930 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.540 14.037 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.321 13.228 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.925 14.543 -2.516 1.00 0.00 H new ATOM 1876 N SER A 117 8.236 8.326 -0.801 1.00 0.00 N ATOM 1877 CA SER A 117 6.847 8.054 -1.167 1.00 0.00 C ATOM 1878 C SER A 117 6.324 9.119 -2.126 1.00 0.00 C ATOM 1879 O SER A 117 6.894 10.205 -2.227 1.00 0.00 O ATOM 1880 CB SER A 117 5.973 8.024 0.086 1.00 0.00 C ATOM 1881 OG SER A 117 6.473 7.041 0.982 1.00 0.00 O ATOM 0 H SER A 117 8.371 8.624 0.165 1.00 0.00 H new ATOM 0 HA SER A 117 6.807 7.084 -1.663 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.971 9.003 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.941 7.798 -0.182 1.00 0.00 H new ATOM 0 HG SER A 117 5.784 6.363 1.141 1.00 0.00 H new ATOM 1887 N LYS A 118 5.235 8.804 -2.827 1.00 0.00 N ATOM 1888 CA LYS A 118 4.653 9.747 -3.770 1.00 0.00 C ATOM 1889 C LYS A 118 3.584 10.588 -3.086 1.00 0.00 C ATOM 1890 O LYS A 118 3.556 11.811 -3.233 1.00 0.00 O ATOM 1891 CB LYS A 118 4.035 8.992 -4.948 1.00 0.00 C ATOM 1892 CG LYS A 118 5.013 8.989 -6.123 1.00 0.00 C ATOM 1893 CD LYS A 118 5.072 10.384 -6.758 1.00 0.00 C ATOM 1894 CE LYS A 118 6.531 10.826 -6.884 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.606 12.038 -7.747 1.00 0.00 N ATOM 0 H LYS A 118 4.745 7.912 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 118 5.441 10.405 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.800 7.969 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.097 9.463 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.005 8.694 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.700 8.255 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.600 10.368 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.516 11.097 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.944 11.041 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.131 10.023 -7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.597 12.341 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.227 11.817 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.046 12.804 -7.320 1.00 0.00 H new ATOM 1909 N GLU A 119 2.704 9.930 -2.333 1.00 0.00 N ATOM 1910 CA GLU A 119 1.641 10.640 -1.630 1.00 0.00 C ATOM 1911 C GLU A 119 1.017 9.743 -0.564 1.00 0.00 C ATOM 1912 O GLU A 119 0.231 8.849 -0.867 1.00 0.00 O ATOM 1913 CB GLU A 119 0.565 11.087 -2.622 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.532 11.858 -1.882 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.144 12.911 -2.801 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.003 12.772 -4.005 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -1.743 13.839 -2.286 1.00 0.00 O ATOM 0 H GLU A 119 2.706 8.919 -2.196 1.00 0.00 H new ATOM 0 HA GLU A 119 2.071 11.517 -1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.008 11.716 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.137 10.219 -3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.304 11.169 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.116 12.336 -0.995 1.00 0.00 H new ATOM 1924 N SER A 120 1.371 9.985 0.686 1.00 0.00 N ATOM 1925 CA SER A 120 0.840 9.184 1.780 1.00 0.00 C ATOM 1926 C SER A 120 0.405 10.077 2.927 1.00 0.00 C ATOM 1927 O SER A 120 0.495 11.302 2.833 1.00 0.00 O ATOM 1928 CB SER A 120 1.919 8.227 2.275 1.00 0.00 C ATOM 1929 OG SER A 120 3.033 8.991 2.713 1.00 0.00 O ATOM 0 H SER A 120 2.017 10.722 0.969 1.00 0.00 H new ATOM 0 HA SER A 120 -0.022 8.623 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.536 7.614 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.217 7.546 1.477 1.00 0.00 H new ATOM 0 HG SER A 120 3.824 8.746 2.189 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.061 9.455 4.012 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.499 10.206 5.194 1.00 0.00 C ATOM 1937 C ASP A 121 -1.935 10.699 5.030 1.00 0.00 C ATOM 1938 O ASP A 121 -2.463 11.419 5.880 1.00 0.00 O ATOM 1939 CB ASP A 121 0.428 11.408 5.423 1.00 0.00 C ATOM 1940 CG ASP A 121 0.558 11.693 6.912 1.00 0.00 C ATOM 1941 OD1 ASP A 121 0.036 12.704 7.350 1.00 0.00 O ATOM 1942 OD2 ASP A 121 1.182 10.897 7.591 1.00 0.00 O ATOM 0 H ASP A 121 -0.145 8.442 4.098 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.456 9.537 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.411 11.206 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.032 12.285 4.910 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.557 10.304 3.935 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.928 10.710 3.651 1.00 0.00 C ATOM 1949 C ILE A 122 -4.878 10.023 4.620 1.00 0.00 C ATOM 1950 O ILE A 122 -5.003 8.798 4.624 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.304 10.346 2.211 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.038 10.174 1.343 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.216 11.409 1.599 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.233 11.488 1.300 1.00 0.00 C ATOM 0 H ILE A 122 -2.138 9.703 3.226 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.007 11.790 3.772 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.844 9.399 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.418 9.374 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.320 9.879 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.468 11.127 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.129 11.489 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.702 12.370 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.344 11.350 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.850 12.279 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.935 11.765 2.311 1.00 0.00 H new ATOM 1966 N MET A 123 -5.531 10.822 5.445 1.00 0.00 N ATOM 1967 CA MET A 123 -6.457 10.298 6.434 1.00 0.00 C ATOM 1968 C MET A 123 -7.828 10.054 5.818 1.00 0.00 C ATOM 1969 O MET A 123 -8.512 10.989 5.401 1.00 0.00 O ATOM 1970 CB MET A 123 -6.587 11.284 7.598 1.00 0.00 C ATOM 1971 CG MET A 123 -7.453 10.667 8.697 1.00 0.00 C ATOM 1972 SD MET A 123 -6.453 10.396 10.182 1.00 0.00 S ATOM 1973 CE MET A 123 -6.032 8.664 9.856 1.00 0.00 C ATOM 0 H MET A 123 -5.437 11.838 5.450 1.00 0.00 H new ATOM 0 HA MET A 123 -6.066 9.348 6.800 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.601 11.529 7.992 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.032 12.216 7.250 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.291 11.326 8.926 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.875 9.722 8.354 1.00 0.00 H new ATOM 0 HE1 MET A 123 -5.435 8.273 10.680 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.947 8.079 9.761 1.00 0.00 H new ATOM 0 HE3 MET A 123 -5.461 8.597 8.930 1.00 0.00 H new ATOM 1983 N THR A 124 -8.224 8.788 5.773 1.00 0.00 N ATOM 1984 CA THR A 124 -9.519 8.423 5.215 1.00 0.00 C ATOM 1985 C THR A 124 -10.542 8.248 6.328 1.00 0.00 C ATOM 1986 O THR A 124 -10.229 8.423 7.504 1.00 0.00 O ATOM 1987 CB THR A 124 -9.409 7.122 4.416 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.165 6.038 5.298 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.266 7.238 3.421 1.00 0.00 C ATOM 0 H THR A 124 -7.671 8.002 6.114 1.00 0.00 H new ATOM 0 HA THR A 124 -9.843 9.224 4.551 1.00 0.00 H new ATOM 0 HB THR A 124 -10.342 6.945 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.819 6.380 6.149 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.185 6.313 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.458 8.068 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.334 7.416 3.957 1.00 0.00 H new ATOM 1997 N THR A 125 -11.764 7.896 5.949 1.00 0.00 N ATOM 1998 CA THR A 125 -12.831 7.695 6.925 1.00 0.00 C ATOM 1999 C THR A 125 -12.795 6.271 7.473 1.00 0.00 C ATOM 2000 O THR A 125 -13.588 5.909 8.343 1.00 0.00 O ATOM 2001 CB THR A 125 -14.192 7.966 6.285 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.395 7.064 5.206 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.233 9.403 5.768 1.00 0.00 C ATOM 0 H THR A 125 -12.041 7.744 4.979 1.00 0.00 H new ATOM 0 HA THR A 125 -12.677 8.393 7.748 1.00 0.00 H new ATOM 0 HB THR A 125 -14.979 7.826 7.026 1.00 0.00 H new ATOM 0 HG1 THR A 125 -15.268 7.236 4.796 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.203 9.598 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.077 10.093 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.447 9.545 5.026 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.874 5.469 6.950 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.741 4.084 7.389 1.00 0.00 C ATOM 2013 C ASN A 126 -10.282 3.737 7.655 1.00 0.00 C ATOM 2014 O ASN A 126 -9.929 2.564 7.756 1.00 0.00 O ATOM 2015 CB ASN A 126 -12.311 3.143 6.328 1.00 0.00 C ATOM 2016 CG ASN A 126 -13.814 3.363 6.190 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -14.503 3.786 7.216 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -14.378 3.146 5.118 1.00 0.00 N flip ATOM 0 H ASN A 126 -11.213 5.751 6.227 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.300 3.964 8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.820 3.320 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.110 2.107 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.840 2.816 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -15.383 3.296 5.031 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.441 4.760 7.771 1.00 0.00 N ATOM 2026 CA GLY A 127 -8.022 4.543 8.034 1.00 0.00 C ATOM 2027 C GLY A 127 -7.165 5.546 7.272 1.00 0.00 C ATOM 2028 O GLY A 127 -7.618 6.645 6.956 1.00 0.00 O ATOM 0 H GLY A 127 -9.714 5.739 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.829 4.633 9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.746 3.529 7.744 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.926 5.159 6.986 1.00 0.00 N ATOM 2033 CA VAL A 128 -5.007 6.031 6.260 1.00 0.00 C ATOM 2034 C VAL A 128 -4.603 5.398 4.941 1.00 0.00 C ATOM 2035 O VAL A 128 -4.837 4.210 4.716 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.757 6.291 7.104 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.778 5.125 6.942 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.077 7.591 6.654 1.00 0.00 C ATOM 0 H VAL A 128 -5.536 4.252 7.244 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.514 6.975 6.059 1.00 0.00 H new ATOM 0 HB VAL A 128 -4.049 6.384 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.888 5.311 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.254 4.202 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.494 5.031 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.189 7.766 7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.789 7.507 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.769 8.424 6.775 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.991 6.201 4.076 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.553 5.715 2.776 1.00 0.00 C ATOM 2050 C ILE A 129 -2.066 5.991 2.564 1.00 0.00 C ATOM 2051 O ILE A 129 -1.507 6.951 3.115 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.357 6.401 1.665 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.734 5.746 1.537 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.619 6.281 0.325 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.642 6.636 0.682 1.00 0.00 C ATOM 0 H ILE A 129 -3.789 7.185 4.252 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.719 4.638 2.743 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.473 7.454 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.639 4.760 1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.173 5.601 2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.200 6.772 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.642 6.757 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.490 5.228 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.624 6.172 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.746 7.612 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.203 6.758 -0.308 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.432 5.150 1.752 1.00 0.00 N ATOM 2068 CA HIS A 130 -0.022 5.318 1.458 1.00 0.00 C ATOM 2069 C HIS A 130 0.257 4.993 -0.001 1.00 0.00 C ATOM 2070 O HIS A 130 0.127 3.846 -0.423 1.00 0.00 O ATOM 2071 CB HIS A 130 0.812 4.407 2.349 1.00 0.00 C ATOM 2072 CG HIS A 130 2.279 4.746 2.213 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.130 4.767 3.305 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.073 5.036 1.123 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.366 5.050 2.850 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.381 5.228 1.535 1.00 0.00 N ATOM 0 H HIS A 130 -1.872 4.353 1.292 1.00 0.00 H new ATOM 0 HA HIS A 130 0.248 6.356 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.500 4.517 3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.645 3.365 2.075 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.869 4.599 4.277 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.727 5.103 0.102 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.240 5.123 3.480 1.00 0.00 H new ATOM 2085 N VAL A 131 0.653 6.013 -0.758 1.00 0.00 N ATOM 2086 CA VAL A 131 0.962 5.831 -2.176 1.00 0.00 C ATOM 2087 C VAL A 131 2.469 5.840 -2.400 1.00 0.00 C ATOM 2088 O VAL A 131 3.134 6.857 -2.175 1.00 0.00 O ATOM 2089 CB VAL A 131 0.328 6.948 -3.009 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.465 6.621 -4.496 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.154 7.081 -2.644 1.00 0.00 C ATOM 0 H VAL A 131 0.767 6.968 -0.418 1.00 0.00 H new ATOM 0 HA VAL A 131 0.555 4.869 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 131 0.837 7.889 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.013 7.418 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.520 6.533 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.041 5.679 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.605 7.876 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.665 6.141 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.248 7.321 -1.585 1.00 0.00 H new ATOM 2101 N VAL A 132 2.997 4.704 -2.852 1.00 0.00 N ATOM 2102 CA VAL A 132 4.433 4.581 -3.108 1.00 0.00 C ATOM 2103 C VAL A 132 4.705 4.548 -4.609 1.00 0.00 C ATOM 2104 O VAL A 132 3.776 4.564 -5.414 1.00 0.00 O ATOM 2105 CB VAL A 132 4.981 3.305 -2.460 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.728 3.347 -0.954 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.282 2.086 -3.059 1.00 0.00 C ATOM 0 H VAL A 132 2.458 3.861 -3.048 1.00 0.00 H new ATOM 0 HA VAL A 132 4.933 5.447 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 132 6.053 3.237 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.118 2.439 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.229 4.215 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.656 3.417 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.673 1.179 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.210 2.154 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.464 2.054 -4.133 1.00 0.00 H new ATOM 2117 N ASP A 133 5.984 4.511 -4.977 1.00 0.00 N ATOM 2118 CA ASP A 133 6.369 4.484 -6.388 1.00 0.00 C ATOM 2119 C ASP A 133 7.307 3.310 -6.667 1.00 0.00 C ATOM 2120 O ASP A 133 8.213 3.392 -7.498 1.00 0.00 O ATOM 2121 CB ASP A 133 7.047 5.811 -6.757 1.00 0.00 C ATOM 2122 CG ASP A 133 7.733 6.404 -5.533 1.00 0.00 C ATOM 2123 OD1 ASP A 133 8.951 6.439 -5.520 1.00 0.00 O ATOM 2124 OD2 ASP A 133 7.028 6.816 -4.626 1.00 0.00 O ATOM 0 H ASP A 133 6.767 4.499 -4.324 1.00 0.00 H new ATOM 0 HA ASP A 133 5.476 4.355 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.777 5.648 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.307 6.511 -7.144 1.00 0.00 H new ATOM 2129 N LYS A 134 7.081 2.205 -5.971 1.00 0.00 N ATOM 2130 CA LYS A 134 7.912 1.026 -6.163 1.00 0.00 C ATOM 2131 C LYS A 134 7.341 -0.164 -5.404 1.00 0.00 C ATOM 2132 O LYS A 134 6.648 0.002 -4.402 1.00 0.00 O ATOM 2133 CB LYS A 134 9.328 1.305 -5.672 1.00 0.00 C ATOM 2134 CG LYS A 134 10.302 0.339 -6.348 1.00 0.00 C ATOM 2135 CD LYS A 134 11.613 0.294 -5.553 1.00 0.00 C ATOM 2136 CE LYS A 134 11.518 -0.740 -4.422 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.873 -0.964 -3.844 1.00 0.00 N ATOM 0 H LYS A 134 6.340 2.100 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 134 7.931 0.790 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.606 2.335 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.378 1.190 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.863 -0.657 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.496 0.659 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.440 0.041 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.828 1.278 -5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.834 -0.389 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.113 -1.677 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.812 -1.664 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.512 -1.316 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.242 -0.068 -3.466 1.00 0.00 H new ATOM 2151 N LEU A 135 7.634 -1.367 -5.885 1.00 0.00 N ATOM 2152 CA LEU A 135 7.135 -2.568 -5.239 1.00 0.00 C ATOM 2153 C LEU A 135 8.013 -2.945 -4.057 1.00 0.00 C ATOM 2154 O LEU A 135 9.232 -3.048 -4.185 1.00 0.00 O ATOM 2155 CB LEU A 135 7.101 -3.727 -6.237 1.00 0.00 C ATOM 2156 CG LEU A 135 5.737 -3.793 -6.928 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.651 -4.194 -5.938 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.408 -2.417 -7.519 1.00 0.00 C ATOM 0 H LEU A 135 8.209 -1.533 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 135 6.125 -2.367 -4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.887 -3.598 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.301 -4.666 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 135 5.777 -4.542 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.689 -4.235 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.882 -5.174 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.603 -3.460 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.437 -2.456 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.379 -1.676 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.173 -2.140 -8.244 1.00 0.00 H new ATOM 2170 N LEU A 136 7.383 -3.150 -2.906 1.00 0.00 N ATOM 2171 CA LEU A 136 8.125 -3.516 -1.701 1.00 0.00 C ATOM 2172 C LEU A 136 8.076 -5.018 -1.472 1.00 0.00 C ATOM 2173 O LEU A 136 7.249 -5.516 -0.705 1.00 0.00 O ATOM 2174 CB LEU A 136 7.548 -2.787 -0.487 1.00 0.00 C ATOM 2175 CG LEU A 136 7.389 -1.298 -0.811 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.980 -0.547 0.447 1.00 0.00 C ATOM 2177 CD2 LEU A 136 8.716 -0.736 -1.333 1.00 0.00 C ATOM 0 H LEU A 136 6.374 -3.071 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 136 9.165 -3.220 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.583 -3.216 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.205 -2.914 0.373 1.00 0.00 H new ATOM 0 HG LEU A 136 6.622 -1.176 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.867 0.513 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.033 -0.942 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.747 -0.673 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.598 0.323 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.487 -0.859 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 136 9.008 -1.272 -2.236 1.00 0.00 H new