USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -98:sc= 0.0165 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.5!) USER MOD Set 2.1: A 30 THR OG1 : rot 80:sc= 0.847 USER MOD Set 2.2: A 109 GLN : amide:sc= -1.55 K(o=-0.71,f=-4.4!) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -1.91! K(o=-2.4!,f=-3) USER MOD Set 3.2: A 13 MET CE :methyl -178:sc= -0.49 (180deg=-0.525) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 1.07 USER MOD Single : A 3 SER OG : rot 8:sc= 0.17 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -15:sc= -0.757 USER MOD Single : A 12 HIS : no HD1:sc= -1.35! C(o=-1.3!,f=-1.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.9!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.21! C(o=-2.2!,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.013 (180deg=-0.152) USER MOD Single : A 36 SER OG : rot 170:sc= -0.351 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 49 SER OG : rot 120:sc= -0.79 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 69:sc= 1.4 USER MOD Single : A 63 THR OG1 : rot -139:sc= 1.16 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -174:sc= -1.69! (180deg=-1.8) USER MOD Single : A 69 CYS SG : rot 27:sc= 0.323 USER MOD Single : A 74 TYR OH : rot -33:sc= 1.48 USER MOD Single : A 75 THR OG1 : rot -158:sc= 0.43 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0869 USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.0102 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.567 F(o=-1.5,f=-0.57) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 0.388 (180deg=0.199) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -110:sc= 0.457 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 71:sc= 0.33 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.986 K(o=-0.99,f=-6.2!) USER MOD Single : B 9 SER OG : rot -138:sc= 0.00123 USER MOD Single : B 12 ASN :FLIP amide:sc= -1.45! C(o=-3.7!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.092 -7.134 -13.006 1.00 0.00 N ATOM 2 CA GLY A 1 19.830 -7.821 -13.205 1.00 0.00 C ATOM 3 C GLY A 1 19.050 -7.272 -14.384 1.00 0.00 C ATOM 4 O GLY A 1 18.847 -6.063 -14.492 1.00 0.00 O ATOM 0 H1 GLY A 1 21.587 -7.546 -12.189 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.682 -7.238 -13.856 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.914 -6.125 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.019 -8.883 -13.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.226 -7.734 -12.302 1.00 0.00 H new ATOM 8 N SER A 2 18.615 -8.162 -15.270 1.00 0.00 N ATOM 9 CA SER A 2 17.858 -7.758 -16.449 1.00 0.00 C ATOM 10 C SER A 2 16.449 -8.345 -16.418 1.00 0.00 C ATOM 11 O SER A 2 16.267 -9.555 -16.549 1.00 0.00 O ATOM 12 CB SER A 2 18.580 -8.204 -17.721 1.00 0.00 C ATOM 13 OG SER A 2 18.548 -9.614 -17.859 1.00 0.00 O ATOM 0 H SER A 2 18.774 -9.167 -15.194 1.00 0.00 H new ATOM 0 HA SER A 2 17.780 -6.671 -16.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.113 -7.740 -18.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.614 -7.862 -17.695 1.00 0.00 H new ATOM 0 HG SER A 2 17.800 -9.977 -17.340 1.00 0.00 H new ATOM 19 N SER A 3 15.457 -7.478 -16.243 1.00 0.00 N ATOM 20 CA SER A 3 14.065 -7.909 -16.191 1.00 0.00 C ATOM 21 C SER A 3 13.144 -6.842 -16.773 1.00 0.00 C ATOM 22 O SER A 3 13.501 -5.666 -16.839 1.00 0.00 O ATOM 23 CB SER A 3 13.659 -8.218 -14.748 1.00 0.00 C ATOM 24 OG SER A 3 14.199 -9.456 -14.321 1.00 0.00 O ATOM 0 H SER A 3 15.591 -6.473 -16.135 1.00 0.00 H new ATOM 0 HA SER A 3 13.968 -8.814 -16.790 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.005 -7.420 -14.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.572 -8.246 -14.671 1.00 0.00 H new ATOM 0 HG SER A 3 14.827 -9.789 -14.996 1.00 0.00 H new ATOM 30 N GLY A 4 11.955 -7.261 -17.196 1.00 0.00 N ATOM 31 CA GLY A 4 11.000 -6.331 -17.767 1.00 0.00 C ATOM 32 C GLY A 4 10.097 -5.711 -16.720 1.00 0.00 C ATOM 33 O GLY A 4 10.559 -5.309 -15.652 1.00 0.00 O ATOM 0 H GLY A 4 11.637 -8.229 -17.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.537 -5.541 -18.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.390 -6.850 -18.507 1.00 0.00 H new ATOM 37 N SER A 5 8.806 -5.629 -17.027 1.00 0.00 N ATOM 38 CA SER A 5 7.837 -5.048 -16.106 1.00 0.00 C ATOM 39 C SER A 5 7.007 -6.135 -15.431 1.00 0.00 C ATOM 40 O SER A 5 6.080 -6.684 -16.027 1.00 0.00 O ATOM 41 CB SER A 5 6.917 -4.075 -16.847 1.00 0.00 C ATOM 42 OG SER A 5 7.660 -3.032 -17.453 1.00 0.00 O ATOM 0 H SER A 5 8.407 -5.958 -17.906 1.00 0.00 H new ATOM 0 HA SER A 5 8.386 -4.505 -15.337 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.351 -4.613 -17.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.193 -3.653 -16.151 1.00 0.00 H new ATOM 0 HG SER A 5 7.050 -2.425 -17.921 1.00 0.00 H new ATOM 48 N SER A 6 7.349 -6.444 -14.184 1.00 0.00 N ATOM 49 CA SER A 6 6.639 -7.469 -13.428 1.00 0.00 C ATOM 50 C SER A 6 5.273 -6.963 -12.976 1.00 0.00 C ATOM 51 O SER A 6 4.276 -7.680 -13.054 1.00 0.00 O ATOM 52 CB SER A 6 7.464 -7.899 -12.214 1.00 0.00 C ATOM 53 OG SER A 6 8.384 -8.921 -12.556 1.00 0.00 O ATOM 0 H SER A 6 8.113 -5.999 -13.676 1.00 0.00 H new ATOM 0 HA SER A 6 6.490 -8.329 -14.081 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.003 -7.040 -11.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.799 -8.253 -11.426 1.00 0.00 H new ATOM 0 HG SER A 6 8.900 -9.176 -11.763 1.00 0.00 H new ATOM 59 N GLY A 7 5.235 -5.721 -12.503 1.00 0.00 N ATOM 60 CA GLY A 7 3.988 -5.139 -12.045 1.00 0.00 C ATOM 61 C GLY A 7 4.191 -4.139 -10.924 1.00 0.00 C ATOM 62 O GLY A 7 4.968 -3.194 -11.061 1.00 0.00 O ATOM 0 H GLY A 7 6.047 -5.108 -12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.492 -4.647 -12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.324 -5.933 -11.703 1.00 0.00 H new ATOM 66 N TRP A 8 3.491 -4.346 -9.815 1.00 0.00 N ATOM 67 CA TRP A 8 3.597 -3.452 -8.667 1.00 0.00 C ATOM 68 C TRP A 8 4.171 -4.186 -7.459 1.00 0.00 C ATOM 69 O TRP A 8 3.926 -3.802 -6.315 1.00 0.00 O ATOM 70 CB TRP A 8 2.227 -2.868 -8.321 1.00 0.00 C ATOM 71 CG TRP A 8 1.086 -3.758 -8.709 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.062 -3.454 -9.559 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.852 -5.098 -8.261 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.795 -4.523 -9.666 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.331 -5.544 -8.881 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.530 -5.965 -7.399 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.850 -6.818 -8.662 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.013 -7.227 -7.183 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.167 -7.645 -7.813 1.00 0.00 C ATOM 0 H TRP A 8 2.844 -5.124 -9.686 1.00 0.00 H new ATOM 0 HA TRP A 8 4.273 -2.639 -8.931 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.182 -2.678 -7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.114 -1.906 -8.820 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.057 -2.511 -10.072 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.639 -4.551 -10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.442 -5.653 -6.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.760 -7.142 -9.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.527 -7.904 -6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.544 -8.639 -7.625 1.00 0.00 H new ATOM 90 N TYR A 9 4.935 -5.240 -7.720 1.00 0.00 N ATOM 91 CA TYR A 9 5.543 -6.027 -6.654 1.00 0.00 C ATOM 92 C TYR A 9 6.985 -5.594 -6.410 1.00 0.00 C ATOM 93 O TYR A 9 7.819 -5.632 -7.315 1.00 0.00 O ATOM 94 CB TYR A 9 5.497 -7.515 -7.002 1.00 0.00 C ATOM 95 CG TYR A 9 5.518 -8.422 -5.791 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.427 -8.492 -4.933 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.628 -9.205 -5.504 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.440 -9.317 -3.825 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.650 -10.035 -4.399 1.00 0.00 C ATOM 100 CZ TYR A 9 5.554 -10.088 -3.564 1.00 0.00 C ATOM 101 OH TYR A 9 5.572 -10.911 -2.461 1.00 0.00 O ATOM 0 H TYR A 9 5.148 -5.570 -8.661 1.00 0.00 H new ATOM 0 HA TYR A 9 4.973 -5.856 -5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.595 -7.716 -7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.346 -7.756 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.553 -7.891 -5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.489 -9.165 -6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.584 -9.358 -3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.521 -10.639 -4.191 1.00 0.00 H new ATOM 0 HH TYR A 9 4.846 -10.659 -1.853 1.00 0.00 H new ATOM 111 N HIS A 10 7.271 -5.181 -5.179 1.00 0.00 N ATOM 112 CA HIS A 10 8.613 -4.740 -4.813 1.00 0.00 C ATOM 113 C HIS A 10 9.390 -5.867 -4.139 1.00 0.00 C ATOM 114 O HIS A 10 10.501 -6.201 -4.549 1.00 0.00 O ATOM 115 CB HIS A 10 8.539 -3.529 -3.883 1.00 0.00 C ATOM 116 CG HIS A 10 8.158 -2.260 -4.582 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.074 -1.292 -4.935 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.952 -1.804 -4.994 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.446 -0.294 -5.533 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.158 -0.581 -5.582 1.00 0.00 N ATOM 0 H HIS A 10 6.592 -5.142 -4.419 1.00 0.00 H new ATOM 0 HA HIS A 10 9.137 -4.456 -5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.815 -3.731 -3.094 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.507 -3.392 -3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.004 -2.309 -4.881 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.908 0.604 -5.916 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.434 0.010 -5.990 1.00 0.00 H new ATOM 129 N GLY A 11 8.797 -6.450 -3.102 1.00 0.00 N ATOM 130 CA GLY A 11 9.448 -7.534 -2.387 1.00 0.00 C ATOM 131 C GLY A 11 10.186 -7.052 -1.154 1.00 0.00 C ATOM 132 O GLY A 11 9.567 -6.705 -0.147 1.00 0.00 O ATOM 0 H GLY A 11 7.878 -6.192 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.702 -8.273 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.149 -8.036 -3.054 1.00 0.00 H new ATOM 136 N HIS A 12 11.513 -7.033 -1.230 1.00 0.00 N ATOM 137 CA HIS A 12 12.336 -6.591 -0.110 1.00 0.00 C ATOM 138 C HIS A 12 12.186 -5.090 0.117 1.00 0.00 C ATOM 139 O HIS A 12 12.688 -4.282 -0.662 1.00 0.00 O ATOM 140 CB HIS A 12 13.805 -6.936 -0.362 1.00 0.00 C ATOM 141 CG HIS A 12 14.461 -6.053 -1.378 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.671 -5.428 -1.162 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.070 -5.693 -2.623 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.995 -4.721 -2.230 1.00 0.00 C ATOM 145 NE2 HIS A 12 15.040 -4.864 -3.131 1.00 0.00 N ATOM 0 H HIS A 12 12.041 -7.318 -2.055 1.00 0.00 H new ATOM 0 HA HIS A 12 11.996 -7.111 0.785 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.353 -6.864 0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.875 -7.972 -0.694 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.164 -6.000 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 12 16.889 -4.127 -2.347 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.025 -4.430 -4.054 1.00 0.00 H new ATOM 154 N MET A 13 11.491 -4.727 1.190 1.00 0.00 N ATOM 155 CA MET A 13 11.275 -3.323 1.520 1.00 0.00 C ATOM 156 C MET A 13 10.554 -3.182 2.857 1.00 0.00 C ATOM 157 O MET A 13 9.547 -3.846 3.103 1.00 0.00 O ATOM 158 CB MET A 13 10.465 -2.636 0.417 1.00 0.00 C ATOM 159 CG MET A 13 10.320 -1.137 0.614 1.00 0.00 C ATOM 160 SD MET A 13 10.183 -0.241 -0.945 1.00 0.00 S ATOM 161 CE MET A 13 8.430 -0.400 -1.274 1.00 0.00 C ATOM 0 H MET A 13 11.068 -5.385 1.845 1.00 0.00 H new ATOM 0 HA MET A 13 12.250 -2.842 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.944 -2.823 -0.544 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.473 -3.086 0.372 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.437 -0.938 1.222 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.180 -0.763 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.194 0.074 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.162 -1.456 -1.318 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.865 0.084 -0.478 1.00 0.00 H new ATOM 171 N SER A 14 11.078 -2.316 3.718 1.00 0.00 N ATOM 172 CA SER A 14 10.487 -2.093 5.033 1.00 0.00 C ATOM 173 C SER A 14 9.361 -1.065 4.954 1.00 0.00 C ATOM 174 O SER A 14 9.040 -0.561 3.879 1.00 0.00 O ATOM 175 CB SER A 14 11.555 -1.621 6.022 1.00 0.00 C ATOM 176 OG SER A 14 12.380 -2.697 6.432 1.00 0.00 O ATOM 0 H SER A 14 11.910 -1.757 3.529 1.00 0.00 H new ATOM 0 HA SER A 14 10.070 -3.038 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.166 -0.846 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.076 -1.173 6.893 1.00 0.00 H new ATOM 0 HG SER A 14 13.055 -2.370 7.062 1.00 0.00 H new ATOM 182 N GLY A 15 8.766 -0.760 6.103 1.00 0.00 N ATOM 183 CA GLY A 15 7.682 0.204 6.144 1.00 0.00 C ATOM 184 C GLY A 15 8.157 1.620 5.888 1.00 0.00 C ATOM 185 O GLY A 15 7.910 2.181 4.820 1.00 0.00 O ATOM 0 H GLY A 15 9.015 -1.163 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.932 -0.065 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.195 0.158 7.118 1.00 0.00 H new ATOM 189 N GLY A 16 8.839 2.201 6.870 1.00 0.00 N ATOM 190 CA GLY A 16 9.337 3.557 6.725 1.00 0.00 C ATOM 191 C GLY A 16 9.869 3.835 5.333 1.00 0.00 C ATOM 192 O GLY A 16 9.876 4.979 4.883 1.00 0.00 O ATOM 0 H GLY A 16 9.056 1.758 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.536 4.261 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.129 3.730 7.454 1.00 0.00 H new ATOM 196 N GLN A 17 10.316 2.785 4.652 1.00 0.00 N ATOM 197 CA GLN A 17 10.853 2.922 3.304 1.00 0.00 C ATOM 198 C GLN A 17 9.760 3.328 2.320 1.00 0.00 C ATOM 199 O GLN A 17 9.789 4.426 1.763 1.00 0.00 O ATOM 200 CB GLN A 17 11.499 1.611 2.853 1.00 0.00 C ATOM 201 CG GLN A 17 12.666 1.804 1.897 1.00 0.00 C ATOM 202 CD GLN A 17 13.411 0.514 1.619 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.111 -0.529 2.200 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.390 0.577 0.723 1.00 0.00 N ATOM 0 H GLN A 17 10.317 1.831 5.012 1.00 0.00 H new ATOM 0 HA GLN A 17 11.611 3.705 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.846 1.066 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.744 0.991 2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.297 2.216 0.958 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.357 2.535 2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.606 1.462 0.265 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.926 -0.260 0.493 1.00 0.00 H new ATOM 213 N ALA A 18 8.799 2.435 2.110 1.00 0.00 N ATOM 214 CA ALA A 18 7.696 2.701 1.195 1.00 0.00 C ATOM 215 C ALA A 18 7.247 4.157 1.284 1.00 0.00 C ATOM 216 O ALA A 18 6.935 4.782 0.272 1.00 0.00 O ATOM 217 CB ALA A 18 6.529 1.769 1.490 1.00 0.00 C ATOM 0 H ALA A 18 8.762 1.521 2.561 1.00 0.00 H new ATOM 0 HA ALA A 18 8.047 2.517 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.712 1.979 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.850 0.734 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.188 1.926 2.513 1.00 0.00 H new ATOM 223 N GLU A 19 7.217 4.688 2.503 1.00 0.00 N ATOM 224 CA GLU A 19 6.805 6.070 2.722 1.00 0.00 C ATOM 225 C GLU A 19 7.690 7.033 1.937 1.00 0.00 C ATOM 226 O GLU A 19 7.203 7.982 1.322 1.00 0.00 O ATOM 227 CB GLU A 19 6.859 6.411 4.214 1.00 0.00 C ATOM 228 CG GLU A 19 5.549 6.163 4.943 1.00 0.00 C ATOM 229 CD GLU A 19 5.443 6.949 6.235 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.111 7.996 6.349 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.691 6.514 7.133 1.00 0.00 O ATOM 0 H GLU A 19 7.472 4.183 3.352 1.00 0.00 H new ATOM 0 HA GLU A 19 5.779 6.177 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.645 5.820 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.136 7.459 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.718 6.430 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.454 5.099 5.160 1.00 0.00 H new ATOM 238 N THR A 20 8.995 6.783 1.962 1.00 0.00 N ATOM 239 CA THR A 20 9.950 7.627 1.255 1.00 0.00 C ATOM 240 C THR A 20 9.794 7.487 -0.255 1.00 0.00 C ATOM 241 O THR A 20 9.790 8.479 -0.985 1.00 0.00 O ATOM 242 CB THR A 20 11.400 7.285 1.644 1.00 0.00 C ATOM 243 OG1 THR A 20 11.568 7.405 3.061 1.00 0.00 O ATOM 244 CG2 THR A 20 12.382 8.201 0.932 1.00 0.00 C ATOM 0 H THR A 20 9.415 6.002 2.465 1.00 0.00 H new ATOM 0 HA THR A 20 9.738 8.656 1.546 1.00 0.00 H new ATOM 0 HB THR A 20 11.602 6.258 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.492 7.184 3.301 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.400 7.940 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.272 8.085 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.180 9.236 1.208 1.00 0.00 H new ATOM 252 N LEU A 21 9.667 6.248 -0.719 1.00 0.00 N ATOM 253 CA LEU A 21 9.510 5.978 -2.144 1.00 0.00 C ATOM 254 C LEU A 21 8.199 6.556 -2.667 1.00 0.00 C ATOM 255 O LEU A 21 8.137 7.069 -3.785 1.00 0.00 O ATOM 256 CB LEU A 21 9.557 4.472 -2.406 1.00 0.00 C ATOM 257 CG LEU A 21 10.850 3.761 -2.004 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.761 3.258 -0.571 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.144 2.611 -2.957 1.00 0.00 C ATOM 0 H LEU A 21 9.670 5.416 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 21 10.334 6.458 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.728 4.005 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.388 4.303 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 21 11.669 4.477 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.690 2.755 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.598 4.101 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.931 2.557 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.067 2.116 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.323 1.895 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.253 2.997 -3.971 1.00 0.00 H new ATOM 271 N LEU A 22 7.154 6.470 -1.851 1.00 0.00 N ATOM 272 CA LEU A 22 5.844 6.987 -2.231 1.00 0.00 C ATOM 273 C LEU A 22 5.803 8.507 -2.115 1.00 0.00 C ATOM 274 O LEU A 22 5.511 9.205 -3.085 1.00 0.00 O ATOM 275 CB LEU A 22 4.755 6.368 -1.352 1.00 0.00 C ATOM 276 CG LEU A 22 4.396 4.912 -1.655 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.526 4.336 -0.548 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.691 4.806 -2.999 1.00 0.00 C ATOM 0 H LEU A 22 7.188 6.048 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 22 5.662 6.716 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.074 6.434 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.852 6.971 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 22 5.318 4.332 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.280 3.300 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.066 4.378 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.607 4.917 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.443 3.764 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.777 5.399 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.348 5.179 -3.785 1.00 0.00 H new ATOM 290 N GLN A 23 6.100 9.012 -0.922 1.00 0.00 N ATOM 291 CA GLN A 23 6.099 10.450 -0.679 1.00 0.00 C ATOM 292 C GLN A 23 6.984 11.173 -1.689 1.00 0.00 C ATOM 293 O GLN A 23 6.604 12.210 -2.233 1.00 0.00 O ATOM 294 CB GLN A 23 6.577 10.750 0.742 1.00 0.00 C ATOM 295 CG GLN A 23 5.564 10.383 1.814 1.00 0.00 C ATOM 296 CD GLN A 23 6.023 10.770 3.207 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.221 10.846 3.480 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.068 11.018 4.097 1.00 0.00 N ATOM 0 H GLN A 23 6.344 8.447 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 23 5.077 10.811 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.503 10.206 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.810 11.812 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.616 10.876 1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.379 9.309 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.087 10.943 3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.316 11.284 5.050 1.00 0.00 H new ATOM 307 N ALA A 24 8.167 10.619 -1.936 1.00 0.00 N ATOM 308 CA ALA A 24 9.106 11.209 -2.881 1.00 0.00 C ATOM 309 C ALA A 24 8.464 11.389 -4.253 1.00 0.00 C ATOM 310 O ALA A 24 8.690 12.391 -4.929 1.00 0.00 O ATOM 311 CB ALA A 24 10.357 10.350 -2.990 1.00 0.00 C ATOM 0 H ALA A 24 8.497 9.761 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 24 9.387 12.194 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.049 10.803 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.835 10.277 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.085 9.353 -3.336 1.00 0.00 H new ATOM 317 N LYS A 25 7.662 10.409 -4.658 1.00 0.00 N ATOM 318 CA LYS A 25 6.987 10.458 -5.949 1.00 0.00 C ATOM 319 C LYS A 25 6.044 11.654 -6.025 1.00 0.00 C ATOM 320 O LYS A 25 5.965 12.331 -7.050 1.00 0.00 O ATOM 321 CB LYS A 25 6.206 9.163 -6.188 1.00 0.00 C ATOM 322 CG LYS A 25 5.531 9.102 -7.547 1.00 0.00 C ATOM 323 CD LYS A 25 6.506 8.687 -8.636 1.00 0.00 C ATOM 324 CE LYS A 25 6.095 9.240 -9.993 1.00 0.00 C ATOM 325 NZ LYS A 25 6.326 10.708 -10.086 1.00 0.00 N ATOM 0 H LYS A 25 7.464 9.572 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 25 7.746 10.566 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.885 8.316 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.449 9.056 -5.411 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.702 8.395 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.108 10.077 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.506 9.042 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.557 7.599 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.657 8.733 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.041 9.026 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.330 10.996 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.567 11.211 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.242 10.943 -9.654 1.00 0.00 H new ATOM 339 N GLY A 26 5.330 11.910 -4.932 1.00 0.00 N ATOM 340 CA GLY A 26 4.403 13.026 -4.896 1.00 0.00 C ATOM 341 C GLY A 26 3.191 12.802 -5.778 1.00 0.00 C ATOM 342 O GLY A 26 2.550 13.756 -6.216 1.00 0.00 O ATOM 0 H GLY A 26 5.377 11.364 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.076 13.190 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.918 13.932 -5.215 1.00 0.00 H new ATOM 346 N GLU A 27 2.877 11.537 -6.039 1.00 0.00 N ATOM 347 CA GLU A 27 1.735 11.191 -6.876 1.00 0.00 C ATOM 348 C GLU A 27 0.608 10.591 -6.038 1.00 0.00 C ATOM 349 O GLU A 27 0.782 9.587 -5.347 1.00 0.00 O ATOM 350 CB GLU A 27 2.154 10.204 -7.967 1.00 0.00 C ATOM 351 CG GLU A 27 2.664 10.877 -9.232 1.00 0.00 C ATOM 352 CD GLU A 27 1.542 11.305 -10.157 1.00 0.00 C ATOM 353 OE1 GLU A 27 1.059 12.448 -10.017 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.147 10.496 -11.024 1.00 0.00 O ATOM 0 H GLU A 27 3.397 10.735 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 27 1.370 12.105 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.932 9.550 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.303 9.571 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.259 11.749 -8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.326 10.192 -9.762 1.00 0.00 H new ATOM 361 N PRO A 28 -0.574 11.220 -6.101 1.00 0.00 N ATOM 362 CA PRO A 28 -1.752 10.767 -5.355 1.00 0.00 C ATOM 363 C PRO A 28 -2.311 9.454 -5.895 1.00 0.00 C ATOM 364 O PRO A 28 -2.297 9.214 -7.103 1.00 0.00 O ATOM 365 CB PRO A 28 -2.760 11.901 -5.560 1.00 0.00 C ATOM 366 CG PRO A 28 -2.350 12.545 -6.839 1.00 0.00 C ATOM 367 CD PRO A 28 -0.853 12.422 -6.905 1.00 0.00 C ATOM 0 HA PRO A 28 -1.520 10.568 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.779 11.519 -5.618 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.732 12.610 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.820 12.054 -7.691 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.657 13.591 -6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.504 12.309 -7.931 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.359 13.303 -6.495 1.00 0.00 H new ATOM 375 N TRP A 29 -2.802 8.611 -4.995 1.00 0.00 N ATOM 376 CA TRP A 29 -3.366 7.323 -5.383 1.00 0.00 C ATOM 377 C TRP A 29 -2.286 6.400 -5.933 1.00 0.00 C ATOM 378 O TRP A 29 -2.527 5.631 -6.866 1.00 0.00 O ATOM 379 CB TRP A 29 -4.468 7.518 -6.425 1.00 0.00 C ATOM 380 CG TRP A 29 -5.342 8.705 -6.151 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.727 9.663 -7.045 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.935 9.061 -4.898 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.525 10.592 -6.424 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.669 10.246 -5.106 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.921 8.493 -3.622 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.379 10.871 -4.085 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.626 9.115 -2.608 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.348 10.293 -2.844 1.00 0.00 C ATOM 0 H TRP A 29 -2.821 8.795 -3.992 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.795 6.860 -4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.012 7.631 -7.409 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.086 6.621 -6.461 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.445 9.686 -8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.943 11.408 -6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.369 7.584 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.935 11.779 -4.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.620 8.686 -1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.890 10.754 -2.031 1.00 0.00 H new ATOM 399 N THR A 30 -1.093 6.478 -5.353 1.00 0.00 N ATOM 400 CA THR A 30 0.025 5.650 -5.786 1.00 0.00 C ATOM 401 C THR A 30 0.209 4.449 -4.866 1.00 0.00 C ATOM 402 O THR A 30 0.840 4.552 -3.814 1.00 0.00 O ATOM 403 CB THR A 30 1.337 6.455 -5.830 1.00 0.00 C ATOM 404 OG1 THR A 30 1.223 7.528 -6.772 1.00 0.00 O ATOM 405 CG2 THR A 30 2.508 5.561 -6.210 1.00 0.00 C ATOM 0 H THR A 30 -0.876 7.108 -4.580 1.00 0.00 H new ATOM 0 HA THR A 30 -0.212 5.301 -6.791 1.00 0.00 H new ATOM 0 HB THR A 30 1.520 6.864 -4.836 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.733 8.272 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.424 6.152 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.610 4.763 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.330 5.127 -7.194 1.00 0.00 H new ATOM 413 N PHE A 31 -0.345 3.310 -5.268 1.00 0.00 N ATOM 414 CA PHE A 31 -0.243 2.089 -4.478 1.00 0.00 C ATOM 415 C PHE A 31 0.969 1.265 -4.906 1.00 0.00 C ATOM 416 O PHE A 31 1.547 1.495 -5.969 1.00 0.00 O ATOM 417 CB PHE A 31 -1.517 1.254 -4.622 1.00 0.00 C ATOM 418 CG PHE A 31 -1.559 0.436 -5.880 1.00 0.00 C ATOM 419 CD1 PHE A 31 -2.056 0.973 -7.056 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.102 -0.873 -5.886 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.097 0.222 -8.215 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.139 -1.629 -7.042 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.638 -1.081 -8.209 1.00 0.00 C ATOM 0 H PHE A 31 -0.869 3.207 -6.137 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.119 2.372 -3.433 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.605 0.589 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.381 1.918 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.416 1.991 -7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.713 -1.307 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.488 0.653 -9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.778 -2.647 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.669 -1.670 -9.114 1.00 0.00 H new ATOM 433 N LEU A 32 1.349 0.304 -4.071 1.00 0.00 N ATOM 434 CA LEU A 32 2.491 -0.555 -4.361 1.00 0.00 C ATOM 435 C LEU A 32 2.517 -1.761 -3.428 1.00 0.00 C ATOM 436 O LEU A 32 2.269 -1.637 -2.229 1.00 0.00 O ATOM 437 CB LEU A 32 3.795 0.235 -4.228 1.00 0.00 C ATOM 438 CG LEU A 32 4.316 0.434 -2.804 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.116 -0.779 -2.355 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.164 1.694 -2.718 1.00 0.00 C ATOM 0 H LEU A 32 0.882 0.100 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 32 2.393 -0.914 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.565 -0.273 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.650 1.216 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 32 3.461 0.548 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.479 -0.620 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.480 -1.664 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.964 -0.924 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.526 1.820 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.013 1.608 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.561 2.558 -2.998 1.00 0.00 H new ATOM 452 N VAL A 33 2.820 -2.928 -3.987 1.00 0.00 N ATOM 453 CA VAL A 33 2.881 -4.157 -3.204 1.00 0.00 C ATOM 454 C VAL A 33 4.302 -4.432 -2.724 1.00 0.00 C ATOM 455 O VAL A 33 5.270 -4.191 -3.445 1.00 0.00 O ATOM 456 CB VAL A 33 2.384 -5.366 -4.018 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.432 -6.633 -3.177 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.976 -5.115 -4.538 1.00 0.00 C ATOM 0 H VAL A 33 3.027 -3.049 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 33 2.229 -4.016 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 33 3.045 -5.502 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.077 -7.476 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.458 -6.819 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.796 -6.512 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.640 -5.979 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.301 -4.953 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.977 -4.233 -5.179 1.00 0.00 H new ATOM 468 N ARG A 34 4.419 -4.938 -1.500 1.00 0.00 N ATOM 469 CA ARG A 34 5.721 -5.245 -0.921 1.00 0.00 C ATOM 470 C ARG A 34 5.587 -6.257 0.212 1.00 0.00 C ATOM 471 O ARG A 34 4.586 -6.273 0.927 1.00 0.00 O ATOM 472 CB ARG A 34 6.388 -3.969 -0.405 1.00 0.00 C ATOM 473 CG ARG A 34 5.595 -3.267 0.686 1.00 0.00 C ATOM 474 CD ARG A 34 6.422 -2.189 1.369 1.00 0.00 C ATOM 475 NE ARG A 34 7.179 -2.715 2.501 1.00 0.00 N ATOM 476 CZ ARG A 34 6.619 -3.124 3.634 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.303 -3.068 3.785 1.00 0.00 N ATOM 478 NH2 ARG A 34 7.375 -3.590 4.620 1.00 0.00 N ATOM 0 H ARG A 34 3.627 -5.144 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 34 6.344 -5.681 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.378 -4.216 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.531 -3.281 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.698 -2.821 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.265 -3.997 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.109 -1.748 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.764 -1.391 1.712 1.00 0.00 H new ATOM 0 HE ARG A 34 8.194 -2.772 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.718 -2.710 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.876 -3.383 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.388 -3.635 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.943 -3.904 5.489 1.00 0.00 H new ATOM 492 N GLU A 35 6.603 -7.101 0.369 1.00 0.00 N ATOM 493 CA GLU A 35 6.597 -8.117 1.415 1.00 0.00 C ATOM 494 C GLU A 35 6.990 -7.513 2.762 1.00 0.00 C ATOM 495 O GLU A 35 7.625 -6.460 2.821 1.00 0.00 O ATOM 496 CB GLU A 35 7.553 -9.256 1.056 1.00 0.00 C ATOM 497 CG GLU A 35 6.967 -10.254 0.071 1.00 0.00 C ATOM 498 CD GLU A 35 5.943 -11.170 0.710 1.00 0.00 C ATOM 499 OE1 GLU A 35 5.275 -10.736 1.672 1.00 0.00 O ATOM 500 OE2 GLU A 35 5.808 -12.324 0.249 1.00 0.00 O ATOM 0 H GLU A 35 7.440 -7.101 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 35 5.585 -8.514 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.465 -8.834 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.837 -9.782 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.502 -9.714 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.771 -10.855 -0.354 1.00 0.00 H new ATOM 507 N SER A 36 6.606 -8.188 3.840 1.00 0.00 N ATOM 508 CA SER A 36 6.914 -7.718 5.186 1.00 0.00 C ATOM 509 C SER A 36 8.139 -8.436 5.745 1.00 0.00 C ATOM 510 O SER A 36 8.566 -9.463 5.217 1.00 0.00 O ATOM 511 CB SER A 36 5.715 -7.934 6.111 1.00 0.00 C ATOM 512 OG SER A 36 6.091 -7.804 7.471 1.00 0.00 O ATOM 0 H SER A 36 6.081 -9.062 3.808 1.00 0.00 H new ATOM 0 HA SER A 36 7.133 -6.652 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.935 -7.210 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.293 -8.924 5.940 1.00 0.00 H new ATOM 0 HG SER A 36 5.288 -7.785 8.032 1.00 0.00 H new ATOM 518 N LEU A 37 8.699 -7.886 6.817 1.00 0.00 N ATOM 519 CA LEU A 37 9.876 -8.473 7.450 1.00 0.00 C ATOM 520 C LEU A 37 9.520 -9.080 8.804 1.00 0.00 C ATOM 521 O LEU A 37 9.899 -10.211 9.107 1.00 0.00 O ATOM 522 CB LEU A 37 10.967 -7.415 7.624 1.00 0.00 C ATOM 523 CG LEU A 37 11.399 -6.682 6.353 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.464 -5.519 6.063 1.00 0.00 C ATOM 525 CD2 LEU A 37 12.835 -6.195 6.482 1.00 0.00 C ATOM 0 H LEU A 37 8.358 -7.036 7.266 1.00 0.00 H new ATOM 0 HA LEU A 37 10.248 -9.267 6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.617 -6.676 8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.844 -7.894 8.059 1.00 0.00 H new ATOM 0 HG LEU A 37 11.346 -7.380 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.787 -5.010 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.449 -5.893 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.484 -4.819 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.126 -5.676 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.913 -5.513 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.495 -7.047 6.641 1.00 0.00 H new ATOM 537 N SER A 38 8.788 -8.321 9.612 1.00 0.00 N ATOM 538 CA SER A 38 8.382 -8.784 10.935 1.00 0.00 C ATOM 539 C SER A 38 7.393 -9.940 10.826 1.00 0.00 C ATOM 540 O SER A 38 7.671 -11.053 11.270 1.00 0.00 O ATOM 541 CB SER A 38 7.757 -7.636 11.730 1.00 0.00 C ATOM 542 OG SER A 38 7.302 -8.081 12.996 1.00 0.00 O ATOM 0 H SER A 38 8.464 -7.383 9.375 1.00 0.00 H new ATOM 0 HA SER A 38 9.271 -9.137 11.458 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.490 -6.840 11.863 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.924 -7.212 11.169 1.00 0.00 H new ATOM 0 HG SER A 38 6.908 -7.329 13.485 1.00 0.00 H new ATOM 548 N GLN A 39 6.236 -9.666 10.231 1.00 0.00 N ATOM 549 CA GLN A 39 5.204 -10.683 10.064 1.00 0.00 C ATOM 550 C GLN A 39 5.652 -11.756 9.078 1.00 0.00 C ATOM 551 O GLN A 39 5.975 -11.477 7.923 1.00 0.00 O ATOM 552 CB GLN A 39 3.901 -10.043 9.582 1.00 0.00 C ATOM 553 CG GLN A 39 3.286 -9.084 10.589 1.00 0.00 C ATOM 554 CD GLN A 39 1.852 -8.722 10.249 1.00 0.00 C ATOM 555 OE1 GLN A 39 0.944 -8.920 11.055 1.00 0.00 O ATOM 556 NE2 GLN A 39 1.644 -8.188 9.053 1.00 0.00 N ATOM 0 H GLN A 39 5.990 -8.749 9.857 1.00 0.00 H new ATOM 0 HA GLN A 39 5.033 -11.154 11.032 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.091 -9.507 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.181 -10.830 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.318 -9.535 11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.886 -8.175 10.633 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.428 -8.042 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.701 -7.923 8.770 1.00 0.00 H new ATOM 565 N PRO A 40 5.673 -13.015 9.541 1.00 0.00 N ATOM 566 CA PRO A 40 6.079 -14.155 8.716 1.00 0.00 C ATOM 567 C PRO A 40 5.065 -14.471 7.622 1.00 0.00 C ATOM 568 O PRO A 40 3.940 -14.881 7.906 1.00 0.00 O ATOM 569 CB PRO A 40 6.160 -15.309 9.720 1.00 0.00 C ATOM 570 CG PRO A 40 5.232 -14.920 10.818 1.00 0.00 C ATOM 571 CD PRO A 40 5.301 -13.421 10.907 1.00 0.00 C ATOM 0 HA PRO A 40 7.014 -13.963 8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.860 -16.253 9.264 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.177 -15.442 10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.216 -15.252 10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.528 -15.381 11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.345 -12.992 11.208 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.041 -13.095 11.638 1.00 0.00 H new ATOM 579 N GLY A 41 5.469 -14.277 6.371 1.00 0.00 N ATOM 580 CA GLY A 41 4.584 -14.547 5.254 1.00 0.00 C ATOM 581 C GLY A 41 3.354 -13.660 5.263 1.00 0.00 C ATOM 582 O GLY A 41 2.226 -14.151 5.222 1.00 0.00 O ATOM 0 H GLY A 41 6.395 -13.937 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.127 -14.401 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.275 -15.592 5.283 1.00 0.00 H new ATOM 586 N ASP A 42 3.571 -12.350 5.317 1.00 0.00 N ATOM 587 CA ASP A 42 2.472 -11.393 5.332 1.00 0.00 C ATOM 588 C ASP A 42 2.712 -10.273 4.325 1.00 0.00 C ATOM 589 O ASP A 42 3.770 -9.643 4.323 1.00 0.00 O ATOM 590 CB ASP A 42 2.297 -10.806 6.734 1.00 0.00 C ATOM 591 CG ASP A 42 1.659 -11.788 7.697 1.00 0.00 C ATOM 592 OD1 ASP A 42 2.254 -12.861 7.933 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.564 -11.484 8.215 1.00 0.00 O ATOM 0 H ASP A 42 4.499 -11.927 5.351 1.00 0.00 H new ATOM 0 HA ASP A 42 1.561 -11.921 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.269 -10.501 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.682 -9.908 6.675 1.00 0.00 H new ATOM 598 N PHE A 43 1.726 -10.031 3.469 1.00 0.00 N ATOM 599 CA PHE A 43 1.830 -8.988 2.455 1.00 0.00 C ATOM 600 C PHE A 43 1.288 -7.663 2.979 1.00 0.00 C ATOM 601 O PHE A 43 0.464 -7.635 3.894 1.00 0.00 O ATOM 602 CB PHE A 43 1.073 -9.398 1.190 1.00 0.00 C ATOM 603 CG PHE A 43 1.519 -10.716 0.625 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.090 -11.908 1.188 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.367 -10.764 -0.469 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.498 -13.122 0.670 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.779 -11.976 -0.992 1.00 0.00 C ATOM 608 CZ PHE A 43 2.344 -13.156 -0.421 1.00 0.00 C ATOM 0 H PHE A 43 0.844 -10.544 3.457 1.00 0.00 H new ATOM 0 HA PHE A 43 2.885 -8.858 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.008 -9.450 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.202 -8.625 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.429 -11.887 2.042 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.710 -9.844 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.156 -14.043 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.440 -12.000 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.665 -14.104 -0.827 1.00 0.00 H new ATOM 618 N VAL A 44 1.756 -6.565 2.394 1.00 0.00 N ATOM 619 CA VAL A 44 1.318 -5.235 2.801 1.00 0.00 C ATOM 620 C VAL A 44 0.980 -4.373 1.590 1.00 0.00 C ATOM 621 O VAL A 44 1.622 -4.475 0.543 1.00 0.00 O ATOM 622 CB VAL A 44 2.395 -4.523 3.641 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.845 -3.231 4.228 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.908 -5.441 4.739 1.00 0.00 C ATOM 0 H VAL A 44 2.439 -6.570 1.636 1.00 0.00 H new ATOM 0 HA VAL A 44 0.423 -5.368 3.409 1.00 0.00 H new ATOM 0 HB VAL A 44 3.232 -4.272 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.619 -2.741 4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.531 -2.569 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.990 -3.456 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.668 -4.921 5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.082 -5.725 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.342 -6.335 4.292 1.00 0.00 H new ATOM 634 N LEU A 45 -0.030 -3.523 1.739 1.00 0.00 N ATOM 635 CA LEU A 45 -0.454 -2.641 0.657 1.00 0.00 C ATOM 636 C LEU A 45 -0.313 -1.177 1.061 1.00 0.00 C ATOM 637 O LEU A 45 -1.079 -0.674 1.883 1.00 0.00 O ATOM 638 CB LEU A 45 -1.903 -2.938 0.268 1.00 0.00 C ATOM 639 CG LEU A 45 -2.538 -1.978 -0.739 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.937 -2.181 -2.122 1.00 0.00 C ATOM 641 CD2 LEU A 45 -4.047 -2.169 -0.778 1.00 0.00 C ATOM 0 H LEU A 45 -0.571 -3.426 2.598 1.00 0.00 H new ATOM 0 HA LEU A 45 0.191 -2.825 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.948 -3.946 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.509 -2.936 1.174 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.329 -0.957 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.401 -1.489 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.864 -1.994 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.115 -3.205 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.483 -1.478 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.277 -3.193 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.464 -1.973 0.210 1.00 0.00 H new ATOM 653 N SER A 46 0.668 -0.498 0.475 1.00 0.00 N ATOM 654 CA SER A 46 0.910 0.908 0.776 1.00 0.00 C ATOM 655 C SER A 46 0.383 1.800 -0.343 1.00 0.00 C ATOM 656 O SER A 46 0.604 1.533 -1.524 1.00 0.00 O ATOM 657 CB SER A 46 2.405 1.158 0.981 1.00 0.00 C ATOM 658 OG SER A 46 2.930 0.315 1.993 1.00 0.00 O ATOM 0 H SER A 46 1.308 -0.899 -0.211 1.00 0.00 H new ATOM 0 HA SER A 46 0.379 1.154 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.937 0.984 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.569 2.201 1.251 1.00 0.00 H new ATOM 0 HG SER A 46 2.976 0.809 2.838 1.00 0.00 H new ATOM 664 N VAL A 47 -0.318 2.865 0.038 1.00 0.00 N ATOM 665 CA VAL A 47 -0.876 3.799 -0.932 1.00 0.00 C ATOM 666 C VAL A 47 -0.664 5.243 -0.490 1.00 0.00 C ATOM 667 O VAL A 47 -0.731 5.556 0.700 1.00 0.00 O ATOM 668 CB VAL A 47 -2.383 3.555 -1.143 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.972 4.615 -2.061 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.622 2.161 -1.700 1.00 0.00 C ATOM 0 H VAL A 47 -0.512 3.101 1.011 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.352 3.629 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.885 3.627 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.037 4.426 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.832 5.600 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.470 4.579 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.691 2.005 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.109 2.058 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.237 1.419 -1.001 1.00 0.00 H new ATOM 680 N LEU A 48 -0.409 6.120 -1.454 1.00 0.00 N ATOM 681 CA LEU A 48 -0.187 7.532 -1.165 1.00 0.00 C ATOM 682 C LEU A 48 -1.455 8.345 -1.415 1.00 0.00 C ATOM 683 O LEU A 48 -1.760 8.702 -2.552 1.00 0.00 O ATOM 684 CB LEU A 48 0.958 8.075 -2.022 1.00 0.00 C ATOM 685 CG LEU A 48 1.563 9.404 -1.570 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.229 9.252 -0.211 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.559 9.915 -2.600 1.00 0.00 C ATOM 0 H LEU A 48 -0.351 5.878 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 48 0.080 7.624 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.751 7.328 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.597 8.192 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 48 0.759 10.135 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.654 10.208 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.489 8.932 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.022 8.507 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.979 10.862 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.360 9.186 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.052 10.064 -3.554 1.00 0.00 H new ATOM 699 N SER A 49 -2.186 8.635 -0.344 1.00 0.00 N ATOM 700 CA SER A 49 -3.420 9.404 -0.446 1.00 0.00 C ATOM 701 C SER A 49 -3.152 10.786 -1.033 1.00 0.00 C ATOM 702 O SER A 49 -2.041 11.308 -0.938 1.00 0.00 O ATOM 703 CB SER A 49 -4.078 9.540 0.928 1.00 0.00 C ATOM 704 OG SER A 49 -3.157 10.027 1.888 1.00 0.00 O ATOM 0 H SER A 49 -1.945 8.349 0.605 1.00 0.00 H new ATOM 0 HA SER A 49 -4.097 8.870 -1.113 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.930 10.216 0.861 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.464 8.572 1.248 1.00 0.00 H new ATOM 0 HG SER A 49 -3.485 10.874 2.256 1.00 0.00 H new ATOM 710 N ASP A 50 -4.177 11.373 -1.641 1.00 0.00 N ATOM 711 CA ASP A 50 -4.054 12.696 -2.243 1.00 0.00 C ATOM 712 C ASP A 50 -4.053 13.782 -1.173 1.00 0.00 C ATOM 713 O ASP A 50 -3.950 14.969 -1.481 1.00 0.00 O ATOM 714 CB ASP A 50 -5.196 12.937 -3.232 1.00 0.00 C ATOM 715 CG ASP A 50 -5.457 14.413 -3.465 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.791 15.002 -4.342 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.326 14.978 -2.769 1.00 0.00 O ATOM 0 H ASP A 50 -5.103 10.954 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.105 12.738 -2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.957 12.459 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.104 12.465 -2.857 1.00 0.00 H new ATOM 722 N GLN A 51 -4.170 13.368 0.084 1.00 0.00 N ATOM 723 CA GLN A 51 -4.184 14.306 1.200 1.00 0.00 C ATOM 724 C GLN A 51 -2.772 14.554 1.722 1.00 0.00 C ATOM 725 O GLN A 51 -2.107 13.653 2.233 1.00 0.00 O ATOM 726 CB GLN A 51 -5.072 13.777 2.328 1.00 0.00 C ATOM 727 CG GLN A 51 -6.559 13.875 2.029 1.00 0.00 C ATOM 728 CD GLN A 51 -7.416 13.299 3.139 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.425 13.807 4.260 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.145 12.232 2.831 1.00 0.00 N ATOM 0 H GLN A 51 -4.257 12.389 0.355 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.590 15.252 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.817 12.735 2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.856 14.333 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.826 14.920 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.774 13.349 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.107 11.843 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.742 11.802 3.537 1.00 0.00 H new ATOM 739 N PRO A 52 -2.304 15.803 1.590 1.00 0.00 N ATOM 740 CA PRO A 52 -0.966 16.199 2.043 1.00 0.00 C ATOM 741 C PRO A 52 -0.848 16.210 3.563 1.00 0.00 C ATOM 742 O PRO A 52 -1.829 16.440 4.271 1.00 0.00 O ATOM 743 CB PRO A 52 -0.807 17.615 1.484 1.00 0.00 C ATOM 744 CG PRO A 52 -2.200 18.124 1.337 1.00 0.00 C ATOM 745 CD PRO A 52 -3.043 16.928 0.991 1.00 0.00 C ATOM 0 HA PRO A 52 -0.199 15.503 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.225 18.244 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.286 17.606 0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.545 18.591 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.258 18.882 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.049 17.013 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.149 16.810 -0.087 1.00 0.00 H new ATOM 753 N LYS A 53 0.358 15.959 4.060 1.00 0.00 N ATOM 754 CA LYS A 53 0.606 15.941 5.496 1.00 0.00 C ATOM 755 C LYS A 53 0.217 17.271 6.132 1.00 0.00 C ATOM 756 O LYS A 53 -0.516 17.306 7.121 1.00 0.00 O ATOM 757 CB LYS A 53 2.082 15.643 5.776 1.00 0.00 C ATOM 758 CG LYS A 53 2.389 14.160 5.902 1.00 0.00 C ATOM 759 CD LYS A 53 3.655 13.920 6.708 1.00 0.00 C ATOM 760 CE LYS A 53 3.354 13.787 8.193 1.00 0.00 C ATOM 761 NZ LYS A 53 4.595 13.798 9.014 1.00 0.00 N ATOM 0 H LYS A 53 1.180 15.765 3.488 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.008 15.154 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.688 16.064 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.378 16.146 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.551 13.653 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.501 13.725 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.147 13.015 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.350 14.744 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.704 14.604 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.809 12.860 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.347 13.705 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.204 13.003 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.103 14.693 8.864 1.00 0.00 H new ATOM 775 N ALA A 54 0.710 18.364 5.557 1.00 0.00 N ATOM 776 CA ALA A 54 0.409 19.696 6.067 1.00 0.00 C ATOM 777 C ALA A 54 -0.330 20.528 5.024 1.00 0.00 C ATOM 778 O ALA A 54 -1.324 21.185 5.331 1.00 0.00 O ATOM 779 CB ALA A 54 1.690 20.399 6.494 1.00 0.00 C ATOM 0 H ALA A 54 1.319 18.353 4.739 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.241 19.588 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.451 21.393 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.179 19.820 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.359 20.488 5.638 1.00 0.00 H new ATOM 785 N GLY A 55 0.163 20.496 3.789 1.00 0.00 N ATOM 786 CA GLY A 55 -0.463 21.252 2.721 1.00 0.00 C ATOM 787 C GLY A 55 0.308 21.163 1.419 1.00 0.00 C ATOM 788 O GLY A 55 0.911 20.139 1.099 1.00 0.00 O ATOM 0 H GLY A 55 0.985 19.960 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.477 20.884 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.546 22.297 3.020 1.00 0.00 H new ATOM 792 N PRO A 56 0.293 22.257 0.642 1.00 0.00 N ATOM 793 CA PRO A 56 0.991 22.322 -0.646 1.00 0.00 C ATOM 794 C PRO A 56 2.507 22.338 -0.483 1.00 0.00 C ATOM 795 O PRO A 56 3.112 23.397 -0.317 1.00 0.00 O ATOM 796 CB PRO A 56 0.503 23.644 -1.246 1.00 0.00 C ATOM 797 CG PRO A 56 0.117 24.474 -0.071 1.00 0.00 C ATOM 798 CD PRO A 56 -0.405 23.513 0.961 1.00 0.00 C ATOM 0 HA PRO A 56 0.782 21.452 -1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.286 24.126 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.343 23.487 -1.915 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.972 25.031 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.644 25.206 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.182 23.850 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.487 23.400 0.894 1.00 0.00 H new ATOM 806 N GLY A 57 3.115 21.158 -0.533 1.00 0.00 N ATOM 807 CA GLY A 57 4.557 21.058 -0.390 1.00 0.00 C ATOM 808 C GLY A 57 4.977 19.853 0.429 1.00 0.00 C ATOM 809 O GLY A 57 6.041 19.280 0.200 1.00 0.00 O ATOM 0 H GLY A 57 2.636 20.268 -0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.014 20.999 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.936 21.964 0.082 1.00 0.00 H new ATOM 813 N SER A 58 4.139 19.470 1.386 1.00 0.00 N ATOM 814 CA SER A 58 4.432 18.328 2.246 1.00 0.00 C ATOM 815 C SER A 58 4.203 17.016 1.503 1.00 0.00 C ATOM 816 O SER A 58 3.411 16.934 0.564 1.00 0.00 O ATOM 817 CB SER A 58 3.562 18.374 3.504 1.00 0.00 C ATOM 818 OG SER A 58 2.184 18.385 3.172 1.00 0.00 O ATOM 0 H SER A 58 3.252 19.933 1.586 1.00 0.00 H new ATOM 0 HA SER A 58 5.481 18.382 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.781 17.511 4.133 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.806 19.263 4.086 1.00 0.00 H new ATOM 0 HG SER A 58 1.931 17.516 2.795 1.00 0.00 H new ATOM 824 N PRO A 59 4.914 15.962 1.931 1.00 0.00 N ATOM 825 CA PRO A 59 4.806 14.634 1.322 1.00 0.00 C ATOM 826 C PRO A 59 3.464 13.970 1.611 1.00 0.00 C ATOM 827 O PRO A 59 3.142 13.672 2.762 1.00 0.00 O ATOM 828 CB PRO A 59 5.943 13.848 1.980 1.00 0.00 C ATOM 829 CG PRO A 59 6.171 14.531 3.283 1.00 0.00 C ATOM 830 CD PRO A 59 5.877 15.987 3.045 1.00 0.00 C ATOM 0 HA PRO A 59 4.873 14.678 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.670 12.803 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.842 13.861 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.520 14.123 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.197 14.391 3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.455 16.462 3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.778 16.542 2.785 1.00 0.00 H new ATOM 838 N LEU A 60 2.684 13.741 0.560 1.00 0.00 N ATOM 839 CA LEU A 60 1.375 13.112 0.701 1.00 0.00 C ATOM 840 C LEU A 60 1.394 12.057 1.803 1.00 0.00 C ATOM 841 O LEU A 60 2.437 11.474 2.099 1.00 0.00 O ATOM 842 CB LEU A 60 0.948 12.474 -0.623 1.00 0.00 C ATOM 843 CG LEU A 60 0.495 13.441 -1.717 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.113 12.680 -2.978 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.670 14.289 -1.230 1.00 0.00 C ATOM 0 H LEU A 60 2.935 13.981 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 60 0.656 13.884 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.783 11.888 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.134 11.777 -0.422 1.00 0.00 H new ATOM 0 HG LEU A 60 1.326 14.104 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.207 13.385 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.974 12.117 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.702 11.992 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.979 14.971 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.505 13.641 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.362 14.863 -0.356 1.00 0.00 H new ATOM 857 N ARG A 61 0.234 11.818 2.405 1.00 0.00 N ATOM 858 CA ARG A 61 0.117 10.833 3.474 1.00 0.00 C ATOM 859 C ARG A 61 0.157 9.414 2.912 1.00 0.00 C ATOM 860 O ARG A 61 -0.337 9.155 1.816 1.00 0.00 O ATOM 861 CB ARG A 61 -1.182 11.047 4.253 1.00 0.00 C ATOM 862 CG ARG A 61 -1.090 10.633 5.713 1.00 0.00 C ATOM 863 CD ARG A 61 -0.587 11.773 6.585 1.00 0.00 C ATOM 864 NE ARG A 61 -0.535 11.402 7.996 1.00 0.00 N ATOM 865 CZ ARG A 61 0.430 10.658 8.525 1.00 0.00 C ATOM 866 NH1 ARG A 61 1.419 10.210 7.764 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.408 10.362 9.819 1.00 0.00 N ATOM 0 H ARG A 61 -0.638 12.293 2.171 1.00 0.00 H new ATOM 0 HA ARG A 61 0.963 10.963 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.459 12.100 4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.981 10.482 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.071 10.311 6.063 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.421 9.778 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.407 12.072 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.238 12.638 6.462 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.280 11.732 8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.440 10.436 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.159 9.639 8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.350 10.706 10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.149 9.791 10.224 1.00 0.00 H new ATOM 881 N VAL A 62 0.751 8.499 3.672 1.00 0.00 N ATOM 882 CA VAL A 62 0.856 7.108 3.251 1.00 0.00 C ATOM 883 C VAL A 62 0.000 6.202 4.130 1.00 0.00 C ATOM 884 O VAL A 62 -0.009 6.333 5.355 1.00 0.00 O ATOM 885 CB VAL A 62 2.315 6.617 3.295 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.434 5.238 2.663 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.232 7.611 2.601 1.00 0.00 C ATOM 0 H VAL A 62 1.167 8.697 4.582 1.00 0.00 H new ATOM 0 HA VAL A 62 0.495 7.060 2.224 1.00 0.00 H new ATOM 0 HB VAL A 62 2.623 6.540 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.472 4.908 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.807 4.532 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.108 5.285 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.259 7.248 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.927 7.722 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.168 8.577 3.103 1.00 0.00 H new ATOM 897 N THR A 63 -0.719 5.280 3.497 1.00 0.00 N ATOM 898 CA THR A 63 -1.580 4.351 4.220 1.00 0.00 C ATOM 899 C THR A 63 -1.037 2.929 4.147 1.00 0.00 C ATOM 900 O THR A 63 -1.088 2.287 3.097 1.00 0.00 O ATOM 901 CB THR A 63 -3.017 4.370 3.666 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.543 5.701 3.716 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.914 3.433 4.460 1.00 0.00 C ATOM 0 H THR A 63 -0.722 5.156 2.485 1.00 0.00 H new ATOM 0 HA THR A 63 -1.596 4.678 5.260 1.00 0.00 H new ATOM 0 HB THR A 63 -2.990 4.030 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.479 5.672 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.924 3.463 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.526 2.416 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.936 3.747 5.503 1.00 0.00 H new ATOM 911 N HIS A 64 -0.519 2.440 5.269 1.00 0.00 N ATOM 912 CA HIS A 64 0.032 1.091 5.333 1.00 0.00 C ATOM 913 C HIS A 64 -1.031 0.090 5.775 1.00 0.00 C ATOM 914 O HIS A 64 -1.588 0.204 6.867 1.00 0.00 O ATOM 915 CB HIS A 64 1.220 1.047 6.293 1.00 0.00 C ATOM 916 CG HIS A 64 2.234 2.120 6.041 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.050 2.139 4.930 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.560 3.217 6.764 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.835 3.200 4.980 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.558 3.871 6.084 1.00 0.00 N ATOM 0 H HIS A 64 -0.469 2.958 6.146 1.00 0.00 H new ATOM 0 HA HIS A 64 0.371 0.817 4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.854 1.138 7.316 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.705 0.074 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.118 3.521 7.701 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.577 3.473 4.244 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.012 4.734 6.383 1.00 0.00 H new ATOM 929 N ILE A 65 -1.309 -0.888 4.919 1.00 0.00 N ATOM 930 CA ILE A 65 -2.305 -1.908 5.222 1.00 0.00 C ATOM 931 C ILE A 65 -1.675 -3.296 5.265 1.00 0.00 C ATOM 932 O ILE A 65 -0.970 -3.700 4.340 1.00 0.00 O ATOM 933 CB ILE A 65 -3.446 -1.906 4.187 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.187 -0.568 4.216 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.405 -3.056 4.454 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.873 -0.229 2.911 1.00 0.00 C ATOM 0 H ILE A 65 -0.858 -0.995 4.010 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.715 -1.667 6.203 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.017 -2.040 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.930 -0.591 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.480 0.224 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.206 -3.041 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.867 -4.002 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.831 -2.951 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.378 0.732 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.132 -0.174 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.604 -1.001 2.673 1.00 0.00 H new ATOM 948 N LYS A 66 -1.934 -4.025 6.346 1.00 0.00 N ATOM 949 CA LYS A 66 -1.396 -5.369 6.510 1.00 0.00 C ATOM 950 C LYS A 66 -2.292 -6.400 5.832 1.00 0.00 C ATOM 951 O LYS A 66 -3.355 -6.748 6.347 1.00 0.00 O ATOM 952 CB LYS A 66 -1.249 -5.704 7.996 1.00 0.00 C ATOM 953 CG LYS A 66 -0.501 -4.645 8.787 1.00 0.00 C ATOM 954 CD LYS A 66 -0.438 -4.992 10.265 1.00 0.00 C ATOM 955 CE LYS A 66 -1.682 -4.521 11.002 1.00 0.00 C ATOM 956 NZ LYS A 66 -1.771 -5.103 12.369 1.00 0.00 N ATOM 0 H LYS A 66 -2.514 -3.706 7.122 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.414 -5.400 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.240 -5.837 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.727 -6.656 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.510 -4.542 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.992 -3.680 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.331 -6.070 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.445 -4.534 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.673 -3.433 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.569 -4.797 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.633 -4.757 12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.805 -6.140 12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.938 -4.818 12.922 1.00 0.00 H new ATOM 970 N VAL A 67 -1.856 -6.888 4.675 1.00 0.00 N ATOM 971 CA VAL A 67 -2.618 -7.881 3.928 1.00 0.00 C ATOM 972 C VAL A 67 -2.433 -9.274 4.519 1.00 0.00 C ATOM 973 O VAL A 67 -1.334 -9.826 4.501 1.00 0.00 O ATOM 974 CB VAL A 67 -2.205 -7.907 2.444 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.000 -8.959 1.686 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.389 -6.533 1.817 1.00 0.00 C ATOM 0 H VAL A 67 -0.978 -6.611 4.235 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.667 -7.594 4.001 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.149 -8.171 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.694 -8.962 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.813 -9.940 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.063 -8.729 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.093 -6.569 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.436 -6.238 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.770 -5.807 2.344 1.00 0.00 H new ATOM 986 N MET A 68 -3.517 -9.838 5.043 1.00 0.00 N ATOM 987 CA MET A 68 -3.474 -11.167 5.638 1.00 0.00 C ATOM 988 C MET A 68 -3.684 -12.245 4.579 1.00 0.00 C ATOM 989 O MET A 68 -4.376 -12.023 3.584 1.00 0.00 O ATOM 990 CB MET A 68 -4.539 -11.295 6.730 1.00 0.00 C ATOM 991 CG MET A 68 -4.191 -10.549 8.008 1.00 0.00 C ATOM 992 SD MET A 68 -5.651 -10.073 8.954 1.00 0.00 S ATOM 993 CE MET A 68 -6.211 -8.652 8.019 1.00 0.00 C ATOM 0 H MET A 68 -4.435 -9.394 5.067 1.00 0.00 H new ATOM 0 HA MET A 68 -2.489 -11.306 6.082 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.488 -10.920 6.347 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.684 -12.350 6.963 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.550 -11.177 8.627 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.618 -9.656 7.758 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.045 -8.180 8.539 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.394 -7.937 7.920 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.535 -8.973 7.029 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.084 -13.410 4.798 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.204 -14.521 3.862 1.00 0.00 C ATOM 1005 C CYS A 69 -4.019 -15.659 4.469 1.00 0.00 C ATOM 1006 O CYS A 69 -3.651 -16.213 5.503 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.819 -15.028 3.458 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.849 -16.406 2.288 1.00 0.00 S ATOM 0 H CYS A 69 -2.509 -13.609 5.617 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.723 -14.160 2.974 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.257 -14.204 3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.282 -15.338 4.354 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.941 -16.354 1.584 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.128 -15.999 3.819 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.995 -17.069 4.298 1.00 0.00 C ATOM 1016 C GLU A 70 -5.899 -18.293 3.391 1.00 0.00 C ATOM 1017 O GLU A 70 -6.709 -18.469 2.482 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.445 -16.585 4.370 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.260 -17.268 5.455 1.00 0.00 C ATOM 1020 CD GLU A 70 -7.594 -17.201 6.815 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -6.963 -16.166 7.117 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -7.703 -18.183 7.579 1.00 0.00 O ATOM 0 H GLU A 70 -5.447 -15.550 2.961 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.664 -17.352 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.452 -15.509 4.545 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.924 -16.755 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.244 -16.802 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.418 -18.312 5.183 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.903 -19.135 3.647 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.719 -20.332 2.846 1.00 0.00 C ATOM 1031 C GLY A 71 -4.431 -20.017 1.391 1.00 0.00 C ATOM 1032 O GLY A 71 -5.118 -20.506 0.496 1.00 0.00 O ATOM 0 H GLY A 71 -4.220 -19.010 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.897 -20.918 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.615 -20.950 2.910 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.414 -19.194 1.156 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.057 -18.828 -0.202 1.00 0.00 C ATOM 1038 C GLY A 72 -3.749 -17.559 -0.662 1.00 0.00 C ATOM 1039 O GLY A 72 -3.168 -16.756 -1.391 1.00 0.00 O ATOM 0 H GLY A 72 -2.832 -18.775 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.977 -18.693 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.317 -19.645 -0.875 1.00 0.00 H new ATOM 1043 N ARG A 73 -4.995 -17.380 -0.235 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.767 -16.201 -0.609 1.00 0.00 C ATOM 1045 C ARG A 73 -5.386 -15.004 0.255 1.00 0.00 C ATOM 1046 O ARG A 73 -4.718 -15.151 1.279 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.265 -16.484 -0.476 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.807 -17.412 -1.550 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.010 -18.198 -1.051 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.833 -18.697 -2.151 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.795 -19.599 -1.997 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.056 -20.098 -0.797 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.500 -20.003 -3.046 1.00 0.00 N ATOM 0 H ARG A 73 -5.491 -18.035 0.369 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.539 -15.963 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.458 -16.923 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.809 -15.540 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.090 -16.830 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.025 -18.103 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.669 -19.037 -0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.615 -17.563 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.659 -18.333 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.517 -19.789 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.796 -20.791 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.303 -19.621 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.239 -20.696 -2.928 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.813 -13.818 -0.164 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.515 -12.593 0.570 1.00 0.00 C ATOM 1069 C TYR A 74 -6.797 -11.877 0.981 1.00 0.00 C ATOM 1070 O TYR A 74 -7.760 -11.813 0.216 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.648 -11.663 -0.281 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.362 -12.301 -0.757 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.531 -12.978 0.127 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.977 -12.224 -2.089 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.354 -13.561 -0.303 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.804 -12.805 -2.529 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.996 -13.473 -1.632 1.00 0.00 C ATOM 1078 OH TYR A 74 0.175 -14.052 -2.066 1.00 0.00 O ATOM 0 H TYR A 74 -6.367 -13.678 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.968 -12.865 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.223 -11.335 -1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.409 -10.772 0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.810 -13.050 1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.606 -11.700 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.718 -14.082 0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.521 -12.737 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 74 0.848 -14.002 -1.355 1.00 0.00 H new ATOM 1088 N THR A 75 -6.803 -11.339 2.196 1.00 0.00 N ATOM 1089 CA THR A 75 -7.966 -10.628 2.712 1.00 0.00 C ATOM 1090 C THR A 75 -7.550 -9.387 3.494 1.00 0.00 C ATOM 1091 O THR A 75 -6.493 -9.365 4.125 1.00 0.00 O ATOM 1092 CB THR A 75 -8.821 -11.531 3.621 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.090 -10.917 3.869 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.112 -11.796 4.941 1.00 0.00 C ATOM 0 H THR A 75 -6.015 -11.382 2.842 1.00 0.00 H new ATOM 0 HA THR A 75 -8.560 -10.328 1.849 1.00 0.00 H new ATOM 0 HB THR A 75 -8.973 -12.482 3.111 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.476 -11.284 4.691 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.735 -12.436 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.160 -12.291 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.933 -10.851 5.454 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.388 -8.357 3.449 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.107 -7.112 4.156 1.00 0.00 C ATOM 1104 C VAL A 76 -9.094 -6.893 5.297 1.00 0.00 C ATOM 1105 O VAL A 76 -10.131 -6.254 5.121 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.162 -5.902 3.204 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.055 -5.989 2.165 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.526 -5.811 2.537 1.00 0.00 C ATOM 0 H VAL A 76 -9.267 -8.359 2.931 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.100 -7.199 4.563 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.008 -4.995 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.110 -5.126 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.087 -6.001 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.174 -6.903 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.547 -4.951 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.713 -6.720 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.297 -5.697 3.299 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.765 -7.429 6.468 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.633 -7.281 7.622 1.00 0.00 C ATOM 1120 C GLY A 77 -11.084 -7.577 7.297 1.00 0.00 C ATOM 1121 O GLY A 77 -11.992 -7.036 7.928 1.00 0.00 O ATOM 0 H GLY A 77 -7.913 -7.963 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.297 -7.951 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.550 -6.265 8.007 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.304 -8.438 6.308 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.657 -8.788 5.917 1.00 0.00 C ATOM 1127 C GLY A 78 -12.841 -10.282 5.741 1.00 0.00 C ATOM 1128 O GLY A 78 -11.869 -11.020 5.574 1.00 0.00 O ATOM 0 H GLY A 78 -10.570 -8.899 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.355 -8.425 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.905 -8.282 4.984 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.091 -10.730 5.778 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.400 -12.148 5.622 1.00 0.00 C ATOM 1134 C LEU A 79 -14.169 -12.601 4.185 1.00 0.00 C ATOM 1135 O LEU A 79 -14.027 -13.793 3.915 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.849 -12.422 6.029 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.077 -12.787 7.496 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -15.219 -13.979 7.889 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -15.781 -11.595 8.395 1.00 0.00 C ATOM 0 H LEU A 79 -14.907 -10.133 5.914 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.733 -12.714 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.443 -11.538 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.232 -13.233 5.410 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.124 -13.061 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.395 -14.224 8.936 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.479 -14.836 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.167 -13.733 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -15.949 -11.873 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.743 -11.289 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -16.439 -10.767 8.130 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.132 -11.641 3.265 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.918 -11.943 1.855 1.00 0.00 C ATOM 1153 C GLU A 80 -12.476 -12.379 1.606 1.00 0.00 C ATOM 1154 O GLU A 80 -11.654 -12.399 2.523 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.249 -10.723 0.994 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.699 -10.673 0.543 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.928 -11.397 -0.770 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.756 -12.633 -0.802 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.278 -10.727 -1.763 1.00 0.00 O ATOM 0 H GLU A 80 -14.247 -10.649 3.471 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.581 -12.763 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.021 -9.818 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.604 -10.723 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.330 -11.117 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.007 -9.633 0.438 1.00 0.00 H new ATOM 1166 N THR A 81 -12.177 -12.728 0.359 1.00 0.00 N ATOM 1167 CA THR A 81 -10.837 -13.165 -0.012 1.00 0.00 C ATOM 1168 C THR A 81 -10.534 -12.832 -1.469 1.00 0.00 C ATOM 1169 O THR A 81 -11.416 -12.410 -2.217 1.00 0.00 O ATOM 1170 CB THR A 81 -10.661 -14.680 0.203 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.421 -15.405 -0.771 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.104 -15.084 1.601 1.00 0.00 C ATOM 0 H THR A 81 -12.845 -12.717 -0.412 1.00 0.00 H new ATOM 0 HA THR A 81 -10.140 -12.630 0.633 1.00 0.00 H new ATOM 0 HB THR A 81 -9.604 -14.919 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.433 -16.356 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.970 -16.158 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.504 -14.553 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.155 -14.831 1.737 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.280 -13.023 -1.865 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.860 -12.742 -3.233 1.00 0.00 C ATOM 1182 C PHE A 82 -7.742 -13.687 -3.664 1.00 0.00 C ATOM 1183 O PHE A 82 -6.729 -13.823 -2.976 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.391 -11.290 -3.357 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.448 -10.286 -2.996 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.620 -9.885 -1.681 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.268 -9.743 -3.970 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.593 -8.961 -1.346 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.243 -8.820 -3.642 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.404 -8.428 -2.328 1.00 0.00 C ATOM 0 H PHE A 82 -8.537 -13.371 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.717 -12.898 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.524 -11.140 -2.713 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.063 -11.109 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.988 -10.298 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.144 -10.045 -5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.718 -8.657 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.878 -8.406 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.163 -7.705 -2.069 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.933 -14.339 -4.806 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.943 -15.271 -5.330 1.00 0.00 C ATOM 1202 C ASP A 83 -5.528 -14.803 -5.002 1.00 0.00 C ATOM 1203 O ASP A 83 -4.747 -15.535 -4.396 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.105 -15.424 -6.842 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.177 -16.431 -7.211 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -7.878 -17.644 -7.210 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -9.314 -16.006 -7.500 1.00 0.00 O ATOM 0 H ASP A 83 -8.766 -14.239 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.105 -16.239 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.354 -14.456 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.155 -15.734 -7.277 1.00 0.00 H new ATOM 1212 N SER A 84 -5.207 -13.578 -5.407 1.00 0.00 N ATOM 1213 CA SER A 84 -3.886 -13.013 -5.161 1.00 0.00 C ATOM 1214 C SER A 84 -3.947 -11.490 -5.107 1.00 0.00 C ATOM 1215 O SER A 84 -5.026 -10.898 -5.174 1.00 0.00 O ATOM 1216 CB SER A 84 -2.907 -13.457 -6.251 1.00 0.00 C ATOM 1217 OG SER A 84 -1.565 -13.258 -5.842 1.00 0.00 O ATOM 0 H SER A 84 -5.844 -12.958 -5.907 1.00 0.00 H new ATOM 0 HA SER A 84 -3.536 -13.379 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.068 -14.510 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.098 -12.897 -7.166 1.00 0.00 H new ATOM 0 HG SER A 84 -0.959 -13.551 -6.554 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.784 -10.861 -4.984 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.703 -9.406 -4.921 1.00 0.00 C ATOM 1225 C LEU A 85 -3.398 -8.769 -6.120 1.00 0.00 C ATOM 1226 O LEU A 85 -3.986 -7.692 -6.013 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.242 -8.958 -4.866 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.630 -8.831 -3.471 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.366 -7.774 -2.661 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.657 -10.171 -2.752 1.00 0.00 C ATOM 0 H LEU A 85 -1.883 -11.336 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.211 -9.078 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.644 -9.666 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.160 -7.993 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 85 0.409 -8.520 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.917 -7.697 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.294 -6.812 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.415 -8.055 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.217 -10.061 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.688 -10.512 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.085 -10.902 -3.323 1.00 0.00 H new ATOM 1242 N THR A 86 -3.327 -9.443 -7.264 1.00 0.00 N ATOM 1243 CA THR A 86 -3.950 -8.944 -8.484 1.00 0.00 C ATOM 1244 C THR A 86 -5.458 -8.802 -8.313 1.00 0.00 C ATOM 1245 O THR A 86 -6.014 -7.719 -8.502 1.00 0.00 O ATOM 1246 CB THR A 86 -3.667 -9.873 -9.680 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.255 -9.987 -9.889 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.331 -9.347 -10.943 1.00 0.00 C ATOM 0 H THR A 86 -2.845 -10.335 -7.371 1.00 0.00 H new ATOM 0 HA THR A 86 -3.515 -7.964 -8.683 1.00 0.00 H new ATOM 0 HB THR A 86 -4.081 -10.856 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.814 -9.162 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.117 -10.020 -11.774 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.409 -9.290 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.944 -8.354 -11.171 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.115 -9.898 -7.954 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.559 -9.894 -7.755 1.00 0.00 C ATOM 1258 C ASP A 87 -7.954 -8.913 -6.655 1.00 0.00 C ATOM 1259 O ASP A 87 -8.914 -8.155 -6.799 1.00 0.00 O ATOM 1260 CB ASP A 87 -8.052 -11.299 -7.404 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.503 -11.516 -7.784 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.781 -11.689 -8.990 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.361 -11.514 -6.876 1.00 0.00 O ATOM 0 H ASP A 87 -5.670 -10.802 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.028 -9.576 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.432 -12.036 -7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.931 -11.466 -6.334 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.208 -8.933 -5.556 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.480 -8.047 -4.430 1.00 0.00 C ATOM 1270 C LEU A 88 -7.301 -6.586 -4.832 1.00 0.00 C ATOM 1271 O LEU A 88 -8.259 -5.813 -4.846 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.557 -8.382 -3.257 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.928 -7.757 -1.911 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.476 -8.649 -0.766 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.317 -6.369 -1.782 1.00 0.00 C ATOM 0 H LEU A 88 -6.410 -9.553 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.515 -8.196 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.533 -9.465 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.546 -8.067 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.013 -7.661 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.748 -8.188 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.961 -9.622 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.394 -8.777 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.591 -5.939 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.232 -6.441 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.690 -5.731 -2.583 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.067 -6.215 -5.160 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.764 -4.848 -5.566 1.00 0.00 C ATOM 1289 C VAL A 89 -6.713 -4.375 -6.661 1.00 0.00 C ATOM 1290 O VAL A 89 -7.422 -3.384 -6.495 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.313 -4.723 -6.069 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.026 -3.298 -6.520 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.334 -5.155 -4.988 1.00 0.00 C ATOM 0 H VAL A 89 -5.262 -6.841 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.892 -4.220 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.186 -5.384 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.997 -3.228 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.705 -3.029 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.170 -2.615 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.314 -5.060 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.459 -4.522 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.526 -6.193 -4.717 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.720 -5.093 -7.781 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.583 -4.746 -8.903 1.00 0.00 C ATOM 1305 C GLU A 90 -8.996 -4.428 -8.425 1.00 0.00 C ATOM 1306 O GLU A 90 -9.525 -3.347 -8.688 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.621 -5.890 -9.919 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.327 -6.057 -10.697 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.204 -5.070 -11.842 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.243 -4.736 -12.451 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.071 -4.632 -12.131 1.00 0.00 O ATOM 0 H GLU A 90 -6.138 -5.917 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.172 -3.857 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.844 -6.821 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.437 -5.715 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.482 -5.930 -10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.272 -7.072 -11.090 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.604 -5.378 -7.722 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.958 -5.200 -7.207 1.00 0.00 C ATOM 1320 C HIS A 91 -11.047 -3.951 -6.335 1.00 0.00 C ATOM 1321 O HIS A 91 -12.131 -3.403 -6.126 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.386 -6.429 -6.403 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.663 -6.234 -5.646 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.923 -5.548 -4.509 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.864 -6.782 -6.044 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.262 -5.692 -4.243 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.808 -6.440 -5.185 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.182 -6.278 -7.496 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.631 -5.078 -8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.501 -7.275 -7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.593 -6.688 -5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.010 -7.395 -6.921 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.784 -5.263 -3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.791 -6.708 -5.240 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.902 -3.506 -5.828 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.852 -2.323 -4.978 1.00 0.00 C ATOM 1338 C PHE A 92 -9.549 -1.073 -5.800 1.00 0.00 C ATOM 1339 O PHE A 92 -9.884 0.042 -5.403 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.794 -2.497 -3.886 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.335 -3.085 -2.615 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.410 -2.496 -1.967 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.771 -4.225 -2.067 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.910 -3.034 -0.796 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.266 -4.769 -0.897 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.338 -4.173 -0.261 1.00 0.00 C ATOM 0 H PHE A 92 -8.997 -3.947 -5.991 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.830 -2.201 -4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.997 -3.138 -4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.347 -1.527 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.862 -1.607 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.933 -4.695 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.747 -2.565 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.816 -5.658 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.728 -4.596 0.653 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.911 -1.270 -6.950 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.562 -0.162 -7.830 1.00 0.00 C ATOM 1358 C LYS A 93 -9.813 0.479 -8.421 1.00 0.00 C ATOM 1359 O LYS A 93 -9.785 1.627 -8.868 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.646 -0.647 -8.956 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.326 -1.216 -8.463 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.220 -1.029 -9.489 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.329 -2.044 -10.616 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.204 -1.921 -11.584 1.00 0.00 N ATOM 0 H LYS A 93 -8.626 -2.187 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.036 0.587 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.168 -1.410 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.444 0.184 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.044 -0.728 -7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.445 -2.277 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.270 -0.021 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.250 -1.127 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.340 -3.051 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.275 -1.905 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.092 -2.816 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.408 -1.155 -12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.326 -1.706 -11.070 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.912 -0.268 -8.420 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.176 0.227 -8.953 1.00 0.00 C ATOM 1380 C LYS A 94 -13.138 0.587 -7.824 1.00 0.00 C ATOM 1381 O LYS A 94 -13.833 1.602 -7.888 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.814 -0.822 -9.866 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.949 -2.190 -9.219 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.440 -3.230 -10.212 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.167 -4.369 -9.513 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.617 -4.078 -9.340 1.00 0.00 N ATOM 0 H LYS A 94 -10.953 -1.220 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.970 1.127 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.801 -0.474 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.215 -0.915 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.985 -2.499 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.643 -2.130 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.108 -2.759 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.594 -3.627 -10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.047 -5.285 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.713 -4.545 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.077 -4.878 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.732 -3.218 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.056 -3.935 -10.272 1.00 0.00 H new ATOM 1400 N THR A 95 -13.172 -0.250 -6.792 1.00 0.00 N ATOM 1401 CA THR A 95 -14.049 -0.018 -5.650 1.00 0.00 C ATOM 1402 C THR A 95 -13.427 0.970 -4.670 1.00 0.00 C ATOM 1403 O THR A 95 -14.031 1.985 -4.330 1.00 0.00 O ATOM 1404 CB THR A 95 -14.363 -1.332 -4.908 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.164 -1.871 -4.340 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.986 -2.350 -5.852 1.00 0.00 C ATOM 0 H THR A 95 -12.603 -1.094 -6.723 1.00 0.00 H new ATOM 0 HA THR A 95 -14.976 0.400 -6.043 1.00 0.00 H new ATOM 0 HB THR A 95 -15.076 -1.114 -4.112 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.907 -2.682 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.199 -3.269 -5.307 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.913 -1.948 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.293 -2.563 -6.666 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.213 0.664 -4.221 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.528 1.537 -3.284 1.00 0.00 C ATOM 1416 C GLY A 96 -11.475 0.957 -1.885 1.00 0.00 C ATOM 1417 O GLY A 96 -12.228 0.039 -1.557 1.00 0.00 O ATOM 0 H GLY A 96 -11.692 -0.171 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.513 1.719 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.034 2.502 -3.255 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.582 1.491 -1.058 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.434 1.020 0.314 1.00 0.00 C ATOM 1423 C ILE A 97 -10.785 2.117 1.312 1.00 0.00 C ATOM 1424 O ILE A 97 -10.336 3.255 1.182 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.000 0.531 0.588 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.673 -0.678 -0.292 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.832 0.183 2.059 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.191 -0.872 -0.525 1.00 0.00 C ATOM 0 H ILE A 97 -9.950 2.250 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.124 0.185 0.438 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.305 1.334 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.080 -1.576 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.172 -0.562 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.813 -0.161 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.028 1.066 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.534 -0.606 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.033 -1.746 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.782 0.010 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.689 -1.019 0.431 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.589 1.766 2.311 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.999 2.722 3.333 1.00 0.00 C ATOM 1442 C GLU A 98 -11.253 2.473 4.641 1.00 0.00 C ATOM 1443 O GLU A 98 -11.143 1.335 5.097 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.508 2.633 3.569 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.978 3.397 4.796 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.445 3.774 4.721 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.264 2.901 4.368 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.774 4.942 5.016 1.00 0.00 O ATOM 0 H GLU A 98 -11.969 0.827 2.434 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.752 3.723 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.028 3.017 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.790 1.585 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.808 2.790 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.379 4.301 4.908 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.743 3.546 5.238 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.007 3.443 6.491 1.00 0.00 C ATOM 1457 C GLU A 99 -10.923 3.701 7.684 1.00 0.00 C ATOM 1458 O GLU A 99 -11.817 4.545 7.621 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.841 4.435 6.507 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.773 4.135 5.469 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.582 5.068 5.569 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.031 5.208 6.680 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.203 5.660 4.537 1.00 0.00 O ATOM 0 H GLU A 99 -10.826 4.495 4.874 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.614 2.429 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.228 5.440 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.385 4.431 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.434 3.106 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.208 4.213 4.473 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.694 2.969 8.769 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.498 3.118 9.976 1.00 0.00 C ATOM 1472 C ALA A 100 -11.853 4.581 10.221 1.00 0.00 C ATOM 1473 O ALA A 100 -13.021 4.964 10.166 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.760 2.543 11.175 1.00 0.00 C ATOM 0 H ALA A 100 -9.958 2.266 8.837 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.427 2.565 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.372 2.661 12.069 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.563 1.484 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.816 3.071 11.309 1.00 0.00 H new ATOM 1480 N SER A 101 -10.836 5.394 10.492 1.00 0.00 N ATOM 1481 CA SER A 101 -11.041 6.814 10.750 1.00 0.00 C ATOM 1482 C SER A 101 -12.068 7.399 9.786 1.00 0.00 C ATOM 1483 O SER A 101 -12.869 8.254 10.158 1.00 0.00 O ATOM 1484 CB SER A 101 -9.719 7.573 10.628 1.00 0.00 C ATOM 1485 OG SER A 101 -9.382 7.794 9.269 1.00 0.00 O ATOM 0 H SER A 101 -9.863 5.093 10.538 1.00 0.00 H new ATOM 0 HA SER A 101 -11.420 6.922 11.766 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.795 8.528 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.925 7.008 11.116 1.00 0.00 H new ATOM 0 HG SER A 101 -8.534 8.282 9.218 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.036 6.930 8.541 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.968 7.417 7.541 1.00 0.00 C ATOM 1493 C GLY A 102 -12.301 7.670 6.203 1.00 0.00 C ATOM 1494 O GLY A 102 -12.920 7.505 5.153 1.00 0.00 O ATOM 0 H GLY A 102 -11.381 6.222 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.771 6.691 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.427 8.340 7.895 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.036 8.076 6.241 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.285 8.352 5.022 1.00 0.00 C ATOM 1500 C ALA A 103 -10.560 7.296 3.957 1.00 0.00 C ATOM 1501 O ALA A 103 -10.926 6.164 4.272 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.796 8.425 5.325 1.00 0.00 C ATOM 0 H ALA A 103 -10.510 8.221 7.103 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.613 9.316 4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.247 8.632 4.406 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.610 9.221 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.462 7.474 5.741 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.381 7.675 2.696 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.611 6.760 1.583 1.00 0.00 C ATOM 1510 C PHE A 104 -9.389 6.693 0.672 1.00 0.00 C ATOM 1511 O PHE A 104 -8.963 7.703 0.111 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.837 7.199 0.780 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.117 6.567 1.248 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.501 5.320 0.780 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.937 7.219 2.154 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.678 4.738 1.208 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.115 6.641 2.586 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.487 5.398 2.113 1.00 0.00 C ATOM 0 H PHE A 104 -10.078 8.609 2.419 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.791 5.766 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.933 8.283 0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.681 6.952 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.873 4.798 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.652 8.191 2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.966 3.766 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.745 7.161 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.407 4.943 2.449 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.829 5.497 0.530 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.655 5.297 -0.313 1.00 0.00 C ATOM 1530 C VAL A 105 -8.058 4.904 -1.729 1.00 0.00 C ATOM 1531 O VAL A 105 -8.924 4.050 -1.926 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.727 4.212 0.265 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.566 3.944 -0.680 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.222 4.621 1.640 1.00 0.00 C ATOM 0 H VAL A 105 -9.169 4.651 0.987 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.119 6.246 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.298 3.289 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.921 3.175 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.951 3.604 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.993 4.860 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.568 3.843 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.667 5.556 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.069 4.758 2.313 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.425 5.531 -2.714 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.718 5.248 -4.114 1.00 0.00 C ATOM 1546 C TYR A 106 -6.463 4.788 -4.851 1.00 0.00 C ATOM 1547 O TYR A 106 -5.382 5.353 -4.675 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.297 6.488 -4.796 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.531 7.034 -4.113 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.549 6.187 -3.694 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.677 8.398 -3.887 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.678 6.682 -3.070 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.803 8.901 -3.263 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.800 8.039 -2.856 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.922 8.536 -2.235 1.00 0.00 O ATOM 0 H TYR A 106 -6.705 6.239 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.454 4.445 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.534 7.266 -4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.542 6.243 -5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.456 5.124 -3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.898 9.075 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.461 6.010 -2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.902 9.963 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.850 9.511 -2.160 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.616 3.760 -5.679 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.496 3.222 -6.444 1.00 0.00 C ATOM 1567 C LEU A 107 -5.692 3.466 -7.937 1.00 0.00 C ATOM 1568 O LEU A 107 -6.424 2.736 -8.605 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.341 1.724 -6.177 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.447 1.290 -4.714 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.893 0.998 -4.347 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.572 0.071 -4.455 1.00 0.00 C ATOM 0 H LEU A 107 -7.503 3.283 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.589 3.736 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.101 1.192 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.372 1.405 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.093 2.107 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.948 0.691 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.494 1.895 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.275 0.198 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.659 -0.224 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.896 -0.752 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.533 0.315 -4.677 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.029 4.495 -8.456 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.129 4.834 -9.870 1.00 0.00 C ATOM 1586 C ARG A 108 -3.963 4.240 -10.655 1.00 0.00 C ATOM 1587 O ARG A 108 -4.153 3.665 -11.726 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.159 6.352 -10.052 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.289 7.033 -9.298 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.750 8.298 -10.006 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.326 8.013 -11.317 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.475 8.927 -12.269 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.092 10.178 -12.057 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.009 8.590 -13.436 1.00 0.00 N ATOM 0 H ARG A 108 -4.417 5.108 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.057 4.411 -10.254 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.208 6.768 -9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.252 6.580 -11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.128 6.344 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.958 7.280 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.489 8.810 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.905 8.977 -10.121 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.631 7.059 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.682 10.441 -11.161 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.208 10.878 -12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.305 7.628 -13.603 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.123 9.293 -14.167 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.757 4.385 -10.113 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.561 3.864 -10.764 1.00 0.00 C ATOM 1610 C GLN A 109 -0.568 3.333 -9.736 1.00 0.00 C ATOM 1611 O GLN A 109 -0.414 3.883 -8.645 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.902 4.952 -11.613 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.240 6.047 -10.791 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.212 7.135 -10.379 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.364 7.151 -10.812 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.751 8.052 -9.535 1.00 0.00 N ATOM 0 H GLN A 109 -2.583 4.858 -9.226 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.861 3.040 -11.411 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.155 4.493 -12.261 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.654 5.401 -12.262 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.207 5.607 -9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.572 6.490 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.211 8.000 -9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.360 8.808 -9.221 1.00 0.00 H new ATOM 1625 N PRO A 110 0.123 2.239 -10.088 1.00 0.00 N ATOM 1626 CA PRO A 110 1.112 1.610 -9.208 1.00 0.00 C ATOM 1627 C PRO A 110 2.364 2.465 -9.039 1.00 0.00 C ATOM 1628 O PRO A 110 2.361 3.655 -9.355 1.00 0.00 O ATOM 1629 CB PRO A 110 1.450 0.304 -9.930 1.00 0.00 C ATOM 1630 CG PRO A 110 1.152 0.576 -11.364 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.010 1.531 -11.371 1.00 0.00 C ATOM 0 HA PRO A 110 0.727 1.467 -8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.496 0.032 -9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.851 -0.524 -9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.016 1.009 -11.867 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.904 -0.344 -11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.039 2.218 -12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.962 1.005 -11.443 1.00 0.00 H new ATOM 1639 N TYR A 111 3.430 1.852 -8.541 1.00 0.00 N ATOM 1640 CA TYR A 111 4.688 2.557 -8.329 1.00 0.00 C ATOM 1641 C TYR A 111 5.878 1.665 -8.669 1.00 0.00 C ATOM 1642 O TYR A 111 6.171 0.704 -7.958 1.00 0.00 O ATOM 1643 CB TYR A 111 4.793 3.033 -6.879 1.00 0.00 C ATOM 1644 CG TYR A 111 6.113 3.695 -6.551 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.376 4.999 -6.949 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.097 3.014 -5.846 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.580 5.607 -6.653 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.304 3.614 -5.544 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.541 4.910 -5.950 1.00 0.00 C ATOM 1650 OH TYR A 111 9.742 5.512 -5.652 1.00 0.00 O ATOM 0 H TYR A 111 3.449 0.867 -8.276 1.00 0.00 H new ATOM 0 HA TYR A 111 4.704 3.422 -8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.984 3.735 -6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.649 2.181 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.626 5.547 -7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.915 1.998 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.768 6.622 -6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.058 3.071 -4.993 1.00 0.00 H new ATOM 0 HH TYR A 111 9.601 6.207 -4.976 1.00 0.00 H new ATOM 1660 N TYR A 112 6.561 1.991 -9.761 1.00 0.00 N ATOM 1661 CA TYR A 112 7.718 1.219 -10.198 1.00 0.00 C ATOM 1662 C TYR A 112 9.013 1.840 -9.686 1.00 0.00 C ATOM 1663 O TYR A 112 9.296 3.011 -9.940 1.00 0.00 O ATOM 1664 CB TYR A 112 7.751 1.131 -11.725 1.00 0.00 C ATOM 1665 CG TYR A 112 6.395 0.880 -12.347 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.657 -0.250 -12.017 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.854 1.770 -13.265 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.419 -0.484 -12.583 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.616 1.546 -13.835 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.902 0.417 -13.491 1.00 0.00 C ATOM 1671 OH TYR A 112 2.669 0.188 -14.057 1.00 0.00 O ATOM 0 H TYR A 112 6.333 2.785 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 112 7.630 0.215 -9.784 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.159 2.059 -12.125 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.430 0.331 -12.020 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.058 -0.957 -11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.411 2.654 -13.538 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.859 -1.368 -12.316 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.210 2.250 -14.546 1.00 0.00 H new ATOM 0 HH TYR A 112 2.451 0.918 -14.674 1.00 0.00 H new ATOM 1681 N SER A 113 9.796 1.048 -8.961 1.00 0.00 N ATOM 1682 CA SER A 113 11.060 1.519 -8.408 1.00 0.00 C ATOM 1683 C SER A 113 11.848 2.306 -9.451 1.00 0.00 C ATOM 1684 O SER A 113 11.527 2.281 -10.638 1.00 0.00 O ATOM 1685 CB SER A 113 11.893 0.339 -7.905 1.00 0.00 C ATOM 1686 OG SER A 113 12.258 -0.519 -8.973 1.00 0.00 O ATOM 0 H SER A 113 9.577 0.076 -8.743 1.00 0.00 H new ATOM 0 HA SER A 113 10.838 2.180 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.790 0.708 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.325 -0.221 -7.162 1.00 0.00 H new ATOM 0 HG SER A 113 12.791 -1.264 -8.626 1.00 0.00 H new ATOM 1692 N GLY A 114 12.884 3.006 -8.996 1.00 0.00 N ATOM 1693 CA GLY A 114 13.703 3.790 -9.901 1.00 0.00 C ATOM 1694 C GLY A 114 13.107 5.155 -10.187 1.00 0.00 C ATOM 1695 O GLY A 114 12.386 5.348 -11.166 1.00 0.00 O ATOM 0 H GLY A 114 13.170 3.044 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 114 14.697 3.914 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.826 3.247 -10.838 1.00 0.00 H new ATOM 1699 N PRO A 115 13.408 6.130 -9.317 1.00 0.00 N ATOM 1700 CA PRO A 115 12.906 7.500 -9.459 1.00 0.00 C ATOM 1701 C PRO A 115 13.535 8.228 -10.642 1.00 0.00 C ATOM 1702 O PRO A 115 12.856 8.952 -11.370 1.00 0.00 O ATOM 1703 CB PRO A 115 13.316 8.166 -8.143 1.00 0.00 C ATOM 1704 CG PRO A 115 14.496 7.385 -7.674 1.00 0.00 C ATOM 1705 CD PRO A 115 14.262 5.970 -8.128 1.00 0.00 C ATOM 0 HA PRO A 115 11.833 7.523 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 115 13.570 9.215 -8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.506 8.135 -7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.420 7.782 -8.095 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.592 7.436 -6.589 1.00 0.00 H new ATOM 0 HD2 PRO A 115 15.198 5.466 -8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.770 5.377 -7.357 1.00 0.00 H new ATOM 1713 N SER A 116 14.836 8.030 -10.830 1.00 0.00 N ATOM 1714 CA SER A 116 15.557 8.671 -11.924 1.00 0.00 C ATOM 1715 C SER A 116 16.498 7.683 -12.607 1.00 0.00 C ATOM 1716 O SER A 116 16.930 6.701 -12.002 1.00 0.00 O ATOM 1717 CB SER A 116 16.350 9.873 -11.406 1.00 0.00 C ATOM 1718 OG SER A 116 16.834 10.664 -12.477 1.00 0.00 O ATOM 0 H SER A 116 15.412 7.431 -10.239 1.00 0.00 H new ATOM 0 HA SER A 116 14.826 9.015 -12.655 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.716 10.480 -10.759 1.00 0.00 H new ATOM 0 HB3 SER A 116 17.186 9.527 -10.799 1.00 0.00 H new ATOM 0 HG SER A 116 17.336 11.426 -12.120 1.00 0.00 H new ATOM 1724 N SER A 117 16.811 7.951 -13.871 1.00 0.00 N ATOM 1725 CA SER A 117 17.698 7.084 -14.638 1.00 0.00 C ATOM 1726 C SER A 117 18.781 6.487 -13.746 1.00 0.00 C ATOM 1727 O SER A 117 19.766 7.149 -13.418 1.00 0.00 O ATOM 1728 CB SER A 117 18.339 7.865 -15.786 1.00 0.00 C ATOM 1729 OG SER A 117 18.668 7.006 -16.866 1.00 0.00 O ATOM 0 H SER A 117 16.464 8.761 -14.385 1.00 0.00 H new ATOM 0 HA SER A 117 17.103 6.269 -15.049 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.654 8.641 -16.129 1.00 0.00 H new ATOM 0 HB3 SER A 117 19.238 8.368 -15.430 1.00 0.00 H new ATOM 0 HG SER A 117 19.075 7.529 -17.588 1.00 0.00 H new ATOM 1735 N GLY A 118 18.591 5.231 -13.354 1.00 0.00 N ATOM 1736 CA GLY A 118 19.559 4.565 -12.502 1.00 0.00 C ATOM 1737 C GLY A 118 20.658 3.884 -13.295 1.00 0.00 C ATOM 1738 O GLY A 118 21.677 4.517 -13.571 1.00 0.00 O ATOM 0 H GLY A 118 17.784 4.663 -13.611 1.00 0.00 H new ATOM 0 HA2 GLY A 118 20.003 5.293 -11.823 1.00 0.00 H new ATOM 0 HA3 GLY A 118 19.048 3.825 -11.886 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 8.329 4.040 25.506 1.00 0.00 N ATOM 1744 CA MET B 1 7.587 4.876 24.568 1.00 0.00 C ATOM 1745 C MET B 1 8.534 5.733 23.737 1.00 0.00 C ATOM 1746 O MET B 1 9.208 6.620 24.263 1.00 0.00 O ATOM 1747 CB MET B 1 6.598 5.769 25.320 1.00 0.00 C ATOM 1748 CG MET B 1 5.837 6.727 24.418 1.00 0.00 C ATOM 1749 SD MET B 1 5.034 8.055 25.336 1.00 0.00 S ATOM 1750 CE MET B 1 5.359 9.453 24.263 1.00 0.00 C ATOM 0 H1 MET B 1 7.663 3.465 26.061 1.00 0.00 H new ATOM 0 H2 MET B 1 8.971 3.414 24.980 1.00 0.00 H new ATOM 0 H3 MET B 1 8.882 4.644 26.147 1.00 0.00 H new ATOM 0 HA MET B 1 7.034 4.221 23.895 1.00 0.00 H new ATOM 0 HB2 MET B 1 5.885 5.140 25.852 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.139 6.343 26.072 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.524 7.158 23.690 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.085 6.172 23.857 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.923 10.353 24.696 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.435 9.587 24.155 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.916 9.271 23.284 1.00 0.00 H new ATOM 1760 N ASP B 2 8.582 5.464 22.437 1.00 0.00 N ATOM 1761 CA ASP B 2 9.447 6.212 21.532 1.00 0.00 C ATOM 1762 C ASP B 2 9.166 5.841 20.079 1.00 0.00 C ATOM 1763 O ASP B 2 9.245 4.672 19.701 1.00 0.00 O ATOM 1764 CB ASP B 2 10.918 5.948 21.864 1.00 0.00 C ATOM 1765 CG ASP B 2 11.327 4.517 21.581 1.00 0.00 C ATOM 1766 OD1 ASP B 2 10.560 3.598 21.941 1.00 0.00 O ATOM 1767 OD2 ASP B 2 12.413 4.313 21.001 1.00 0.00 O ATOM 0 H ASP B 2 8.032 4.733 21.986 1.00 0.00 H new ATOM 0 HA ASP B 2 9.237 7.274 21.663 1.00 0.00 H new ATOM 0 HB2 ASP B 2 11.546 6.624 21.283 1.00 0.00 H new ATOM 0 HB3 ASP B 2 11.096 6.173 22.916 1.00 0.00 H new ATOM 1772 N ASN B 3 8.836 6.842 19.271 1.00 0.00 N ATOM 1773 CA ASN B 3 8.541 6.621 17.860 1.00 0.00 C ATOM 1774 C ASN B 3 9.748 6.030 17.139 1.00 0.00 C ATOM 1775 O ASN B 3 10.724 6.729 16.866 1.00 0.00 O ATOM 1776 CB ASN B 3 8.125 7.933 17.192 1.00 0.00 C ATOM 1777 CG ASN B 3 7.162 7.716 16.041 1.00 0.00 C ATOM 1778 OD1 ASN B 3 7.555 7.742 14.875 1.00 0.00 O ATOM 1779 ND2 ASN B 3 5.892 7.499 16.365 1.00 0.00 N ATOM 0 H ASN B 3 8.766 7.815 19.569 1.00 0.00 H new ATOM 0 HA ASN B 3 7.717 5.911 17.794 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.660 8.583 17.933 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.013 8.449 16.827 1.00 0.00 H new ATOM 0 HD21 ASN B 3 5.198 7.345 15.633 1.00 0.00 H new ATOM 0 HD22 ASN B 3 5.611 7.486 17.345 1.00 0.00 H new ATOM 1786 N GLN B 4 9.674 4.739 16.831 1.00 0.00 N ATOM 1787 CA GLN B 4 10.760 4.055 16.140 1.00 0.00 C ATOM 1788 C GLN B 4 10.296 3.520 14.789 1.00 0.00 C ATOM 1789 O GLN B 4 11.090 3.375 13.862 1.00 0.00 O ATOM 1790 CB GLN B 4 11.296 2.908 16.999 1.00 0.00 C ATOM 1791 CG GLN B 4 10.271 1.816 17.266 1.00 0.00 C ATOM 1792 CD GLN B 4 9.250 2.218 18.312 1.00 0.00 C ATOM 1793 OE1 GLN B 4 8.203 2.780 17.990 1.00 0.00 O ATOM 1794 NE2 GLN B 4 9.550 1.930 19.573 1.00 0.00 N ATOM 0 H GLN B 4 8.873 4.146 17.049 1.00 0.00 H new ATOM 0 HA GLN B 4 11.559 4.776 15.969 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.162 2.469 16.504 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.643 3.310 17.951 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.757 1.571 16.337 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.785 0.913 17.594 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.430 1.463 19.794 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.901 2.176 20.321 1.00 0.00 H new ATOM 1803 N GLY B 5 9.003 3.228 14.687 1.00 0.00 N ATOM 1804 CA GLY B 5 8.455 2.711 13.446 1.00 0.00 C ATOM 1805 C GLY B 5 7.275 3.524 12.951 1.00 0.00 C ATOM 1806 O GLY B 5 7.067 4.658 13.383 1.00 0.00 O ATOM 0 H GLY B 5 8.325 3.340 15.441 1.00 0.00 H new ATOM 0 HA2 GLY B 5 9.234 2.705 12.683 1.00 0.00 H new ATOM 0 HA3 GLY B 5 8.144 1.677 13.593 1.00 0.00 H new ATOM 1810 N VAL B 6 6.499 2.943 12.042 1.00 0.00 N ATOM 1811 CA VAL B 6 5.333 3.620 11.488 1.00 0.00 C ATOM 1812 C VAL B 6 4.054 2.843 11.782 1.00 0.00 C ATOM 1813 O VAL B 6 4.052 1.613 11.790 1.00 0.00 O ATOM 1814 CB VAL B 6 5.465 3.810 9.965 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.653 4.704 9.640 1.00 0.00 C ATOM 1816 CG2 VAL B 6 5.595 2.463 9.269 1.00 0.00 C ATOM 0 H VAL B 6 6.657 2.005 11.674 1.00 0.00 H new ATOM 0 HA VAL B 6 5.279 4.598 11.966 1.00 0.00 H new ATOM 0 HB VAL B 6 4.562 4.297 9.597 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.731 4.827 8.560 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.513 5.679 10.107 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.567 4.247 10.020 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.687 2.616 8.194 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.480 1.946 9.639 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.711 1.860 9.475 1.00 0.00 H new ATOM 1826 N ILE B 7 2.968 3.570 12.023 1.00 0.00 N ATOM 1827 CA ILE B 7 1.683 2.950 12.316 1.00 0.00 C ATOM 1828 C ILE B 7 1.041 2.392 11.050 1.00 0.00 C ATOM 1829 O ILE B 7 1.159 2.975 9.973 1.00 0.00 O ATOM 1830 CB ILE B 7 0.712 3.948 12.974 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.397 4.668 14.137 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.541 3.232 13.452 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.551 3.810 15.373 1.00 0.00 C ATOM 0 H ILE B 7 2.953 4.590 12.021 1.00 0.00 H new ATOM 0 HA ILE B 7 1.878 2.134 13.012 1.00 0.00 H new ATOM 0 HB ILE B 7 0.421 4.691 12.232 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.382 5.006 13.815 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.822 5.558 14.392 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.217 3.951 13.915 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.037 2.761 12.603 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.268 2.469 14.181 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.044 4.385 16.156 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.568 3.493 15.720 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.152 2.933 15.134 1.00 0.00 H new HETATM 1845 N PTR B 8 0.358 1.261 11.190 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.303 0.624 10.058 1.00 0.00 C HETATM 1847 C PTR B 8 -1.808 0.873 10.095 1.00 0.00 C HETATM 1848 O PTR B 8 -2.527 0.284 10.901 1.00 0.00 O HETATM 1849 CB PTR B 8 -0.025 -0.881 10.058 1.00 0.00 C HETATM 1850 CG PTR B 8 1.303 -1.251 9.437 1.00 0.00 C HETATM 1851 CD1 PTR B 8 2.493 -0.732 9.932 1.00 0.00 C HETATM 1852 CD2 PTR B 8 1.367 -2.119 8.353 1.00 0.00 C HETATM 1853 CE1 PTR B 8 3.708 -1.067 9.366 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.578 -2.460 7.782 1.00 0.00 C HETATM 1855 CZ PTR B 8 3.745 -1.931 8.292 1.00 0.00 C HETATM 1856 OH PTR B 8 4.953 -2.267 7.725 1.00 0.00 O HETATM 1857 P PTR B 8 6.072 -3.175 8.421 1.00 0.00 P HETATM 1858 O1P PTR B 8 5.666 -3.508 9.804 1.00 0.00 O HETATM 1859 O2P PTR B 8 6.252 -4.431 7.659 1.00 0.00 O HETATM 1860 O3P PTR B 8 7.362 -2.448 8.460 1.00 0.00 O HETATM 0 HE2 PTR B 8 2.611 -3.143 6.933 1.00 0.00 H new HETATM 0 HE1 PTR B 8 4.632 -0.651 9.766 1.00 0.00 H new HETATM 0 HD2 PTR B 8 0.446 -2.538 7.947 1.00 0.00 H new HETATM 0 HD1 PTR B 8 2.468 -0.049 10.781 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.051 -1.247 11.084 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -0.824 -1.390 9.518 1.00 0.00 H new HETATM 0 HA PTR B 8 0.098 1.061 9.144 1.00 0.00 H new ATOM 1869 N SER B 9 -2.277 1.751 9.214 1.00 0.00 N ATOM 1870 CA SER B 9 -3.696 2.083 9.147 1.00 0.00 C ATOM 1871 C SER B 9 -4.550 0.818 9.137 1.00 0.00 C ATOM 1872 O SER B 9 -4.034 -0.291 8.992 1.00 0.00 O ATOM 1873 CB SER B 9 -3.988 2.918 7.898 1.00 0.00 C ATOM 1874 OG SER B 9 -3.285 4.147 7.931 1.00 0.00 O ATOM 0 H SER B 9 -1.696 2.245 8.537 1.00 0.00 H new ATOM 0 HA SER B 9 -3.950 2.666 10.033 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.705 2.357 7.007 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.059 3.110 7.827 1.00 0.00 H new ATOM 0 HG SER B 9 -3.872 4.868 7.620 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.857 0.993 9.293 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.784 -0.132 9.301 1.00 0.00 C ATOM 1882 C ASP B 10 -8.018 0.173 8.458 1.00 0.00 C ATOM 1883 O ASP B 10 -8.096 1.216 7.808 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.200 -0.467 10.734 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.296 -1.503 11.373 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.152 -1.154 11.730 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.735 -2.664 11.517 1.00 0.00 O ATOM 0 H ASP B 10 -6.299 1.904 9.416 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.275 -0.993 8.868 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.187 0.442 11.335 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.226 -0.835 10.735 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.980 -0.743 8.474 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.211 -0.573 7.710 1.00 0.00 C ATOM 1894 C LEU B 11 -11.404 -0.368 8.638 1.00 0.00 C ATOM 1895 O LEU B 11 -11.248 -0.275 9.854 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.450 -1.788 6.813 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.405 -2.035 5.724 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.823 -3.196 4.836 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.192 -0.777 4.894 1.00 0.00 C ATOM 0 H LEU B 11 -8.931 -1.611 9.008 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.103 0.315 7.087 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.505 -2.675 7.444 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.423 -1.676 6.336 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.462 -2.294 6.205 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.067 -3.357 4.067 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.924 -4.098 5.440 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.778 -2.967 4.363 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.445 -0.971 4.124 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.132 -0.488 4.423 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.846 0.030 5.539 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.596 -0.302 8.054 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.816 -0.110 8.830 1.00 0.00 C ATOM 1913 C ASN B 12 -14.288 -1.428 9.437 1.00 0.00 C ATOM 1914 O ASN B 12 -14.628 -1.493 10.619 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.919 0.481 7.947 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.728 -0.590 7.240 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -15.141 -1.194 6.214 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.868 -0.868 7.612 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.743 -0.378 7.048 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.596 0.585 9.640 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.584 1.090 8.559 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.472 1.144 7.206 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.279 -0.377 8.406 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.401 -1.589 7.126 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.303 -2.477 8.621 1.00 0.00 N ATOM 1926 CA LEU B 13 -14.732 -3.795 9.078 1.00 0.00 C ATOM 1927 C LEU B 13 -14.070 -4.153 10.405 1.00 0.00 C ATOM 1928 O LEU B 13 -14.731 -4.517 11.377 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.397 -4.854 8.026 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.261 -4.352 6.588 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -12.819 -3.968 6.291 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.746 -5.409 5.605 1.00 0.00 C ATOM 0 H LEU B 13 -14.023 -2.441 7.641 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.811 -3.768 9.227 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.462 -5.337 8.311 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.172 -5.620 8.051 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.884 -3.465 6.473 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.741 -3.613 5.263 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.505 -3.177 6.973 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.176 -4.838 6.424 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.642 -5.034 4.587 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.150 -6.314 5.721 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.794 -5.636 5.802 1.00 0.00 H new ATOM 1944 N PRO B 14 -12.734 -4.045 10.448 1.00 0.00 N ATOM 1945 CA PRO B 14 -11.954 -4.350 11.652 1.00 0.00 C ATOM 1946 C PRO B 14 -12.171 -3.324 12.759 1.00 0.00 C ATOM 1947 O PRO B 14 -12.409 -2.143 12.506 1.00 0.00 O ATOM 1948 CB PRO B 14 -10.507 -4.305 11.157 1.00 0.00 C ATOM 1949 CG PRO B 14 -10.539 -3.404 9.970 1.00 0.00 C ATOM 1950 CD PRO B 14 -11.881 -3.616 9.327 1.00 0.00 C ATOM 0 HA PRO B 14 -12.239 -5.306 12.091 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -9.837 -3.922 11.927 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.149 -5.299 10.890 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.408 -2.363 10.266 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -9.732 -3.642 9.277 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.254 -2.702 8.865 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -11.836 -4.373 8.544 1.00 0.00 H new ATOM 1958 N PRO B 15 -12.087 -3.783 14.016 1.00 0.00 N ATOM 1959 CA PRO B 15 -12.270 -2.921 15.188 1.00 0.00 C ATOM 1960 C PRO B 15 -11.121 -1.934 15.366 1.00 0.00 C ATOM 1961 O PRO B 15 -10.823 -1.509 16.482 1.00 0.00 O ATOM 1962 CB PRO B 15 -12.311 -3.911 16.354 1.00 0.00 C ATOM 1963 CG PRO B 15 -11.549 -5.097 15.871 1.00 0.00 C ATOM 1964 CD PRO B 15 -11.805 -5.179 14.391 1.00 0.00 C ATOM 0 HA PRO B 15 -13.164 -2.304 15.105 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -11.857 -3.487 17.250 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -13.336 -4.177 16.612 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -10.484 -4.987 16.077 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -11.880 -6.005 16.375 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -10.941 -5.573 13.855 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -12.646 -5.834 14.164 1.00 0.00 H new TER 1972 PRO B 15