USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 HIS : no HD1:sc= -2.63! C(o=-2.9!,f=-3.9!) USER MOD Set 1.2: A 92 TYR OH : rot 30:sc= -0.301 USER MOD Set 2.1: A 68 CYS SG : rot -127:sc= -0.24 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.261 USER MOD Set 3.1: A 17 MET CE :methyl -122:sc= -5.64! (180deg=-12!) USER MOD Set 3.2: A 49 SER OG : rot -103:sc= 0.819 USER MOD Set 3.3: A 64 HIS : no HE2:sc= -6.12! C(o=-11!,f=-22!) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -113:sc= 1.84 (180deg=-0.373) USER MOD Set 4.2: A 106 TYR OH : rot 165:sc= 0.382 USER MOD Set 5.1: A 21 GLN : amide:sc= -1.25 K(o=-4,f=-2.2) USER MOD Set 5.2: A 24 GLN : amide:sc= -2.72! C(o=-4!,f=-3.7!) USER MOD Set 6.1: A 6 SER OG : rot 180:sc= -0.686 USER MOD Set 6.2: A 9 MET CE :methyl 157:sc= -2.65 (180deg=-3.35) USER MOD Single : A 1 THR N :NH3+ 150:sc= 0.331 (180deg=0.0372) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -160:sc= -0.0893 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 0.73 (180deg=0.482) USER MOD Single : A 16 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-0.37) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= -1.09 (180deg=-1.31) USER MOD Single : A 28 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.037) USER MOD Single : A 40 SER OG : rot 110:sc= 0.336 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0281) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -68:sc= 0.525 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -130:sc= 0 USER MOD Single : A 69 SER OG : rot 92:sc= -6.19! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.86! USER MOD Single : A 72 GLN : amide:sc=-0.00134 X(o=-0.0013,f=-0.0013) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.69! C(o=-5.7!,f=-9.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -55:sc= -0.137! USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 93 HIS : no HD1:sc= -0.65 X(o=-0.65,f=-0.28) USER MOD Single : A 94 GLN : amide:sc= -0.0329 K(o=-0.033,f=-2.6!) USER MOD Single : A 95 HIS : no HE2:sc= -0.734 K(o=-0.73,f=-5.4!) USER MOD Single : A 96 ASN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 97 SER OG : rot 42:sc= 0.363 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -162:sc= -2.64! USER MOD Single : A 110 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.065) USER MOD Single : A 111 GLN : amide:sc= -1.26 K(o=-1.3,f=-5.5!) USER MOD Single : A 112 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.48) USER MOD Single : A 113 LYS NZ :NH3+ 172:sc= -0.205 (180deg=-0.304) USER MOD Single : A 114 ASN : amide:sc= -0.761 K(o=-0.76,f=-6.4!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 41:sc= 0.441 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 17.038 -9.258 -11.546 1.00 0.00 N ATOM 2 CA THR A 1 16.144 -8.440 -10.675 1.00 0.00 C ATOM 3 C THR A 1 15.106 -7.704 -11.525 1.00 0.00 C ATOM 4 O THR A 1 15.402 -7.213 -12.597 1.00 0.00 O ATOM 5 CB THR A 1 17.071 -7.443 -9.979 1.00 0.00 C ATOM 6 OG1 THR A 1 18.251 -8.110 -9.557 1.00 0.00 O ATOM 7 CG2 THR A 1 16.355 -6.847 -8.767 1.00 0.00 C ATOM 0 H1 THR A 1 17.978 -9.331 -11.107 1.00 0.00 H new ATOM 0 H2 THR A 1 16.635 -10.210 -11.661 1.00 0.00 H new ATOM 0 H3 THR A 1 17.125 -8.804 -12.478 1.00 0.00 H new ATOM 0 HA THR A 1 15.593 -9.051 -9.960 1.00 0.00 H new ATOM 0 HB THR A 1 17.337 -6.644 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 1 18.847 -7.471 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 1 17.014 -6.136 -8.269 1.00 0.00 H new ATOM 0 HG22 THR A 1 15.450 -6.336 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 1 16.090 -7.644 -8.072 1.00 0.00 H new ATOM 15 N GLU A 2 13.890 -7.620 -11.051 1.00 0.00 N ATOM 16 CA GLU A 2 12.831 -6.913 -11.828 1.00 0.00 C ATOM 17 C GLU A 2 12.977 -5.399 -11.661 1.00 0.00 C ATOM 18 O GLU A 2 13.282 -4.688 -12.598 1.00 0.00 O ATOM 19 CB GLU A 2 11.510 -7.396 -11.227 1.00 0.00 C ATOM 20 CG GLU A 2 10.998 -8.602 -12.017 1.00 0.00 C ATOM 21 CD GLU A 2 10.628 -8.164 -13.436 1.00 0.00 C ATOM 22 OE1 GLU A 2 9.583 -7.555 -13.593 1.00 0.00 O ATOM 23 OE2 GLU A 2 11.398 -8.444 -14.341 1.00 0.00 O ATOM 0 H GLU A 2 13.585 -8.011 -10.159 1.00 0.00 H new ATOM 0 HA GLU A 2 12.892 -7.122 -12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.652 -7.667 -10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.773 -6.593 -11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.763 -9.378 -12.052 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.129 -9.033 -11.520 1.00 0.00 H new ATOM 30 N ALA A 3 12.759 -4.900 -10.470 1.00 0.00 N ATOM 31 CA ALA A 3 12.880 -3.431 -10.228 1.00 0.00 C ATOM 32 C ALA A 3 11.831 -2.683 -11.033 1.00 0.00 C ATOM 33 O ALA A 3 12.019 -2.361 -12.188 1.00 0.00 O ATOM 34 CB ALA A 3 14.293 -3.045 -10.676 1.00 0.00 C ATOM 0 H ALA A 3 12.501 -5.451 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 3 12.719 -3.177 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 3 14.444 -1.976 -10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.025 -3.602 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 3 14.417 -3.282 -11.733 1.00 0.00 H new ATOM 40 N GLU A 4 10.724 -2.408 -10.410 1.00 0.00 N ATOM 41 CA GLU A 4 9.623 -1.676 -11.095 1.00 0.00 C ATOM 42 C GLU A 4 10.149 -0.398 -11.756 1.00 0.00 C ATOM 43 O GLU A 4 10.203 0.649 -11.142 1.00 0.00 O ATOM 44 CB GLU A 4 8.645 -1.322 -9.975 1.00 0.00 C ATOM 45 CG GLU A 4 9.411 -0.694 -8.805 1.00 0.00 C ATOM 46 CD GLU A 4 8.524 0.335 -8.102 1.00 0.00 C ATOM 47 OE1 GLU A 4 7.594 -0.076 -7.427 1.00 0.00 O ATOM 48 OE2 GLU A 4 8.788 1.516 -8.251 1.00 0.00 O ATOM 0 H GLU A 4 10.530 -2.662 -9.441 1.00 0.00 H new ATOM 0 HA GLU A 4 9.164 -2.271 -11.884 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.890 -0.628 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.119 -2.217 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.716 -1.468 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.321 -0.217 -9.168 1.00 0.00 H new ATOM 55 N ASP A 5 10.533 -0.471 -13.000 1.00 0.00 N ATOM 56 CA ASP A 5 11.049 0.747 -13.682 1.00 0.00 C ATOM 57 C ASP A 5 10.209 1.057 -14.925 1.00 0.00 C ATOM 58 O ASP A 5 10.693 1.620 -15.888 1.00 0.00 O ATOM 59 CB ASP A 5 12.491 0.411 -14.072 1.00 0.00 C ATOM 60 CG ASP A 5 12.505 -0.801 -15.007 1.00 0.00 C ATOM 61 OD1 ASP A 5 12.066 -1.857 -14.584 1.00 0.00 O ATOM 62 OD2 ASP A 5 12.955 -0.652 -16.131 1.00 0.00 O ATOM 0 H ASP A 5 10.512 -1.316 -13.571 1.00 0.00 H new ATOM 0 HA ASP A 5 11.000 1.628 -13.041 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.953 1.267 -14.564 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.079 0.200 -13.179 1.00 0.00 H new ATOM 67 N SER A 6 8.955 0.690 -14.912 1.00 0.00 N ATOM 68 CA SER A 6 8.084 0.960 -16.093 1.00 0.00 C ATOM 69 C SER A 6 7.455 2.351 -15.984 1.00 0.00 C ATOM 70 O SER A 6 7.390 2.931 -14.917 1.00 0.00 O ATOM 71 CB SER A 6 7.005 -0.121 -16.042 1.00 0.00 C ATOM 72 OG SER A 6 6.423 -0.143 -14.745 1.00 0.00 O ATOM 0 H SER A 6 8.496 0.215 -14.135 1.00 0.00 H new ATOM 0 HA SER A 6 8.641 0.939 -17.029 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.240 0.077 -16.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.437 -1.094 -16.276 1.00 0.00 H new ATOM 0 HG SER A 6 5.729 -0.834 -14.709 1.00 0.00 H new ATOM 78 N ILE A 7 6.992 2.890 -17.081 1.00 0.00 N ATOM 79 CA ILE A 7 6.367 4.246 -17.045 1.00 0.00 C ATOM 80 C ILE A 7 4.839 4.138 -17.142 1.00 0.00 C ATOM 81 O ILE A 7 4.129 5.102 -16.927 1.00 0.00 O ATOM 82 CB ILE A 7 6.939 4.980 -18.262 1.00 0.00 C ATOM 83 CG1 ILE A 7 6.356 6.396 -18.324 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.581 4.222 -19.545 1.00 0.00 C ATOM 85 CD1 ILE A 7 7.423 7.365 -18.834 1.00 0.00 C ATOM 0 H ILE A 7 7.019 2.450 -18.001 1.00 0.00 H new ATOM 0 HA ILE A 7 6.582 4.772 -16.115 1.00 0.00 H new ATOM 0 HB ILE A 7 8.024 5.035 -18.171 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.488 6.415 -18.983 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.013 6.703 -17.336 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.991 4.750 -20.406 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.000 3.217 -19.503 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.497 4.160 -19.640 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.009 8.372 -18.878 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.278 7.354 -18.158 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.744 7.061 -19.830 1.00 0.00 H new ATOM 97 N GLU A 8 4.327 2.977 -17.465 1.00 0.00 N ATOM 98 CA GLU A 8 2.846 2.814 -17.575 1.00 0.00 C ATOM 99 C GLU A 8 2.157 3.305 -16.297 1.00 0.00 C ATOM 100 O GLU A 8 1.542 4.352 -16.276 1.00 0.00 O ATOM 101 CB GLU A 8 2.624 1.311 -17.759 1.00 0.00 C ATOM 102 CG GLU A 8 3.184 0.872 -19.114 1.00 0.00 C ATOM 103 CD GLU A 8 3.046 -0.645 -19.256 1.00 0.00 C ATOM 104 OE1 GLU A 8 1.930 -1.130 -19.158 1.00 0.00 O ATOM 105 OE2 GLU A 8 4.057 -1.296 -19.461 1.00 0.00 O ATOM 0 H GLU A 8 4.871 2.136 -17.657 1.00 0.00 H new ATOM 0 HA GLU A 8 2.430 3.393 -18.400 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.113 0.760 -16.956 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.560 1.080 -17.702 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.649 1.374 -19.920 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.231 1.162 -19.198 1.00 0.00 H new ATOM 112 N MET A 9 2.262 2.555 -15.230 1.00 0.00 N ATOM 113 CA MET A 9 1.622 2.970 -13.945 1.00 0.00 C ATOM 114 C MET A 9 0.149 3.328 -14.167 1.00 0.00 C ATOM 115 O MET A 9 -0.194 4.470 -14.401 1.00 0.00 O ATOM 116 CB MET A 9 2.410 4.201 -13.488 1.00 0.00 C ATOM 117 CG MET A 9 3.889 3.836 -13.329 1.00 0.00 C ATOM 118 SD MET A 9 4.076 2.628 -11.993 1.00 0.00 S ATOM 119 CE MET A 9 4.434 1.194 -13.036 1.00 0.00 C ATOM 0 H MET A 9 2.766 1.669 -15.193 1.00 0.00 H new ATOM 0 HA MET A 9 1.642 2.172 -13.203 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.300 5.006 -14.215 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.012 4.569 -12.542 1.00 0.00 H new ATOM 0 HG2 MET A 9 4.275 3.424 -14.262 1.00 0.00 H new ATOM 0 HG3 MET A 9 4.473 4.730 -13.109 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.973 0.446 -12.454 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.500 0.766 -13.400 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.045 1.504 -13.884 1.00 0.00 H new ATOM 129 N TYR A 10 -0.724 2.358 -14.099 1.00 0.00 N ATOM 130 CA TYR A 10 -2.174 2.640 -14.306 1.00 0.00 C ATOM 131 C TYR A 10 -2.671 3.651 -13.268 1.00 0.00 C ATOM 132 O TYR A 10 -2.885 4.808 -13.571 1.00 0.00 O ATOM 133 CB TYR A 10 -2.873 1.290 -14.127 1.00 0.00 C ATOM 134 CG TYR A 10 -2.747 0.486 -15.399 1.00 0.00 C ATOM 135 CD1 TYR A 10 -1.573 -0.229 -15.662 1.00 0.00 C ATOM 136 CD2 TYR A 10 -3.805 0.458 -16.316 1.00 0.00 C ATOM 137 CE1 TYR A 10 -1.456 -0.974 -16.842 1.00 0.00 C ATOM 138 CE2 TYR A 10 -3.688 -0.287 -17.496 1.00 0.00 C ATOM 139 CZ TYR A 10 -2.514 -1.002 -17.759 1.00 0.00 C ATOM 140 OH TYR A 10 -2.398 -1.736 -18.922 1.00 0.00 O ATOM 0 H TYR A 10 -0.495 1.382 -13.909 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.375 3.072 -15.287 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.428 0.745 -13.294 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.924 1.442 -13.883 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.757 -0.206 -14.955 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.711 1.011 -16.113 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.550 -1.527 -17.045 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.504 -0.310 -18.203 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.221 -1.649 -19.447 1.00 0.00 H new ATOM 150 N GLU A 11 -2.853 3.223 -12.046 1.00 0.00 N ATOM 151 CA GLU A 11 -3.332 4.164 -10.990 1.00 0.00 C ATOM 152 C GLU A 11 -2.650 3.866 -9.657 1.00 0.00 C ATOM 153 O GLU A 11 -2.205 4.757 -8.962 1.00 0.00 O ATOM 154 CB GLU A 11 -4.835 3.900 -10.854 1.00 0.00 C ATOM 155 CG GLU A 11 -5.548 5.193 -10.471 1.00 0.00 C ATOM 156 CD GLU A 11 -5.727 6.068 -11.712 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.190 5.552 -12.716 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.399 7.241 -11.637 1.00 0.00 O ATOM 0 H GLU A 11 -2.691 2.265 -11.734 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.111 5.198 -11.254 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.234 3.517 -11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.014 3.136 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.519 4.968 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.971 5.728 -9.717 1.00 0.00 H new ATOM 165 N TRP A 12 -2.586 2.614 -9.290 1.00 0.00 N ATOM 166 CA TRP A 12 -1.972 2.225 -7.986 1.00 0.00 C ATOM 167 C TRP A 12 -0.671 2.983 -7.722 1.00 0.00 C ATOM 168 O TRP A 12 -0.273 3.159 -6.592 1.00 0.00 O ATOM 169 CB TRP A 12 -1.700 0.725 -8.093 1.00 0.00 C ATOM 170 CG TRP A 12 -0.813 0.453 -9.267 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.243 0.177 -10.520 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.643 0.421 -9.317 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.144 -0.019 -11.336 1.00 0.00 N ATOM 174 CE2 TRP A 12 1.041 0.120 -10.641 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.646 0.624 -8.353 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.387 0.023 -10.996 1.00 0.00 C ATOM 177 CZ3 TRP A 12 3.001 0.528 -8.707 1.00 0.00 C ATOM 178 CH2 TRP A 12 3.371 0.228 -10.025 1.00 0.00 C ATOM 0 H TRP A 12 -2.938 1.834 -9.845 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.637 2.467 -7.157 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.228 0.366 -7.178 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.639 0.183 -8.202 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.275 0.119 -10.832 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.202 -0.239 -12.330 1.00 0.00 H new ATOM 0 HE3 TRP A 12 1.372 0.855 -7.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.666 -0.209 -12.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.763 0.686 -7.959 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.415 0.155 -10.290 1.00 0.00 H new ATOM 189 N TYR A 13 -0.007 3.436 -8.745 1.00 0.00 N ATOM 190 CA TYR A 13 1.269 4.177 -8.510 1.00 0.00 C ATOM 191 C TYR A 13 0.980 5.643 -8.180 1.00 0.00 C ATOM 192 O TYR A 13 0.324 6.343 -8.928 1.00 0.00 O ATOM 193 CB TYR A 13 2.059 4.071 -9.813 1.00 0.00 C ATOM 194 CG TYR A 13 3.467 4.556 -9.564 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.281 3.887 -8.642 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.954 5.677 -10.244 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.584 4.338 -8.403 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.257 6.129 -10.004 1.00 0.00 C ATOM 199 CZ TYR A 13 6.072 5.460 -9.084 1.00 0.00 C ATOM 200 OH TYR A 13 7.357 5.906 -8.847 1.00 0.00 O ATOM 0 H TYR A 13 -0.283 3.330 -9.721 1.00 0.00 H new ATOM 0 HA TYR A 13 1.825 3.762 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.071 3.040 -10.165 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.585 4.668 -10.592 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.903 3.023 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.325 6.194 -10.954 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.213 3.821 -7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.633 6.994 -10.529 1.00 0.00 H new ATOM 0 HH TYR A 13 7.538 6.693 -9.402 1.00 0.00 H new ATOM 210 N SER A 14 1.469 6.110 -7.060 1.00 0.00 N ATOM 211 CA SER A 14 1.229 7.530 -6.670 1.00 0.00 C ATOM 212 C SER A 14 2.535 8.175 -6.197 1.00 0.00 C ATOM 213 O SER A 14 3.273 7.608 -5.415 1.00 0.00 O ATOM 214 CB SER A 14 0.220 7.462 -5.528 1.00 0.00 C ATOM 215 OG SER A 14 -0.786 6.508 -5.844 1.00 0.00 O ATOM 0 H SER A 14 2.025 5.568 -6.399 1.00 0.00 H new ATOM 0 HA SER A 14 0.861 8.131 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.721 7.185 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.230 8.442 -5.366 1.00 0.00 H new ATOM 0 HG SER A 14 -1.581 6.678 -5.297 1.00 0.00 H new ATOM 221 N LYS A 15 2.826 9.352 -6.676 1.00 0.00 N ATOM 222 CA LYS A 15 4.089 10.042 -6.274 1.00 0.00 C ATOM 223 C LYS A 15 4.036 10.540 -4.813 1.00 0.00 C ATOM 224 O LYS A 15 3.540 11.602 -4.509 1.00 0.00 O ATOM 225 CB LYS A 15 4.256 11.199 -7.282 1.00 0.00 C ATOM 226 CG LYS A 15 3.421 12.426 -6.885 1.00 0.00 C ATOM 227 CD LYS A 15 1.981 12.007 -6.579 1.00 0.00 C ATOM 228 CE LYS A 15 1.271 13.121 -5.809 1.00 0.00 C ATOM 229 NZ LYS A 15 1.356 12.696 -4.383 1.00 0.00 N ATOM 0 H LYS A 15 2.242 9.870 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 15 4.944 9.366 -6.300 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.308 11.479 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.958 10.862 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.861 12.908 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.431 13.159 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.449 11.797 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.976 11.088 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.756 14.085 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.235 13.229 -6.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.348 13.536 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.543 12.090 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.237 12.165 -4.231 1.00 0.00 H new ATOM 243 N HIS A 16 4.562 9.766 -3.907 1.00 0.00 N ATOM 244 CA HIS A 16 4.574 10.164 -2.467 1.00 0.00 C ATOM 245 C HIS A 16 3.152 10.394 -1.960 1.00 0.00 C ATOM 246 O HIS A 16 2.827 11.443 -1.440 1.00 0.00 O ATOM 247 CB HIS A 16 5.390 11.457 -2.405 1.00 0.00 C ATOM 248 CG HIS A 16 6.800 11.185 -2.853 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.651 10.349 -2.148 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.522 11.634 -3.930 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.826 10.321 -2.803 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.802 11.088 -3.896 1.00 0.00 N ATOM 0 H HIS A 16 4.991 8.861 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 16 5.007 9.387 -1.837 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.936 12.217 -3.041 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.390 11.851 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.153 12.308 -4.689 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.684 9.748 -2.484 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.559 11.241 -4.563 1.00 0.00 H new ATOM 260 N MET A 17 2.306 9.412 -2.098 1.00 0.00 N ATOM 261 CA MET A 17 0.903 9.559 -1.614 1.00 0.00 C ATOM 262 C MET A 17 0.858 9.321 -0.099 1.00 0.00 C ATOM 263 O MET A 17 1.460 8.396 0.410 1.00 0.00 O ATOM 264 CB MET A 17 0.109 8.486 -2.365 1.00 0.00 C ATOM 265 CG MET A 17 -1.322 8.418 -1.823 1.00 0.00 C ATOM 266 SD MET A 17 -1.422 7.161 -0.523 1.00 0.00 S ATOM 267 CE MET A 17 -0.913 5.744 -1.526 1.00 0.00 C ATOM 0 H MET A 17 2.525 8.512 -2.526 1.00 0.00 H new ATOM 0 HA MET A 17 0.494 10.553 -1.794 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.093 8.713 -3.431 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.595 7.517 -2.253 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.618 9.389 -1.427 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.016 8.178 -2.629 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.693 4.983 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.750 6.066 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.011 5.328 -1.125 1.00 0.00 H new ATOM 277 N THR A 18 0.162 10.160 0.622 1.00 0.00 N ATOM 278 CA THR A 18 0.091 9.998 2.106 1.00 0.00 C ATOM 279 C THR A 18 -0.725 8.760 2.488 1.00 0.00 C ATOM 280 O THR A 18 -1.807 8.534 1.982 1.00 0.00 O ATOM 281 CB THR A 18 -0.598 11.265 2.609 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.060 12.395 1.938 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.370 11.406 4.113 1.00 0.00 C ATOM 0 H THR A 18 -0.361 10.952 0.248 1.00 0.00 H new ATOM 0 HA THR A 18 1.080 9.861 2.543 1.00 0.00 H new ATOM 0 HB THR A 18 -1.668 11.201 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.503 13.208 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.862 12.310 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.785 10.539 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.699 11.470 4.314 1.00 0.00 H new ATOM 291 N ARG A 19 -0.212 7.966 3.392 1.00 0.00 N ATOM 292 CA ARG A 19 -0.946 6.739 3.836 1.00 0.00 C ATOM 293 C ARG A 19 -2.395 7.081 4.188 1.00 0.00 C ATOM 294 O ARG A 19 -3.321 6.343 3.897 1.00 0.00 O ATOM 295 CB ARG A 19 -0.199 6.278 5.095 1.00 0.00 C ATOM 296 CG ARG A 19 -0.425 7.283 6.239 1.00 0.00 C ATOM 297 CD ARG A 19 0.496 6.940 7.414 1.00 0.00 C ATOM 298 NE ARG A 19 -0.404 6.858 8.598 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.429 7.829 9.468 1.00 0.00 C ATOM 300 NH1 ARG A 19 -0.588 9.060 9.067 1.00 0.00 N ATOM 301 NH2 ARG A 19 -0.295 7.570 10.740 1.00 0.00 N ATOM 0 H ARG A 19 0.689 8.114 3.846 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.977 5.974 3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.548 5.290 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.867 6.189 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.225 8.296 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.466 7.256 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.015 5.996 7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.261 7.704 7.552 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.001 6.042 8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.693 9.263 8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.608 9.820 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.171 6.608 11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.315 8.330 11.420 1.00 0.00 H new ATOM 315 N SER A 20 -2.581 8.201 4.818 1.00 0.00 N ATOM 316 CA SER A 20 -3.941 8.627 5.221 1.00 0.00 C ATOM 317 C SER A 20 -4.759 8.968 3.977 1.00 0.00 C ATOM 318 O SER A 20 -5.938 8.678 3.901 1.00 0.00 O ATOM 319 CB SER A 20 -3.692 9.845 6.112 1.00 0.00 C ATOM 320 OG SER A 20 -4.504 10.933 5.689 1.00 0.00 O ATOM 0 H SER A 20 -1.836 8.849 5.074 1.00 0.00 H new ATOM 0 HA SER A 20 -4.511 7.862 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.914 9.598 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.640 10.128 6.069 1.00 0.00 H new ATOM 0 HG SER A 20 -4.339 11.708 6.266 1.00 0.00 H new ATOM 326 N GLN A 21 -4.137 9.553 2.988 1.00 0.00 N ATOM 327 CA GLN A 21 -4.878 9.874 1.741 1.00 0.00 C ATOM 328 C GLN A 21 -5.350 8.571 1.104 1.00 0.00 C ATOM 329 O GLN A 21 -6.463 8.472 0.630 1.00 0.00 O ATOM 330 CB GLN A 21 -3.876 10.594 0.840 1.00 0.00 C ATOM 331 CG GLN A 21 -3.714 12.036 1.323 1.00 0.00 C ATOM 332 CD GLN A 21 -4.813 12.907 0.712 1.00 0.00 C ATOM 333 OE1 GLN A 21 -4.837 13.125 -0.483 1.00 0.00 O ATOM 334 NE2 GLN A 21 -5.729 13.419 1.487 1.00 0.00 N ATOM 0 H GLN A 21 -3.153 9.820 2.992 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.756 10.496 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.915 10.080 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.222 10.580 -0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.768 12.074 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.733 12.418 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.709 13.236 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.465 14.002 1.090 1.00 0.00 H new ATOM 343 N ALA A 22 -4.518 7.560 1.116 1.00 0.00 N ATOM 344 CA ALA A 22 -4.931 6.253 0.537 1.00 0.00 C ATOM 345 C ALA A 22 -6.141 5.732 1.305 1.00 0.00 C ATOM 346 O ALA A 22 -7.135 5.356 0.724 1.00 0.00 O ATOM 347 CB ALA A 22 -3.728 5.319 0.714 1.00 0.00 C ATOM 0 H ALA A 22 -3.574 7.586 1.501 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.211 6.328 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.967 4.337 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.867 5.730 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.493 5.225 1.774 1.00 0.00 H new ATOM 353 N GLU A 23 -6.067 5.720 2.608 1.00 0.00 N ATOM 354 CA GLU A 23 -7.225 5.234 3.417 1.00 0.00 C ATOM 355 C GLU A 23 -8.501 5.982 3.034 1.00 0.00 C ATOM 356 O GLU A 23 -9.519 5.379 2.751 1.00 0.00 O ATOM 357 CB GLU A 23 -6.862 5.533 4.874 1.00 0.00 C ATOM 358 CG GLU A 23 -5.647 4.708 5.289 1.00 0.00 C ATOM 359 CD GLU A 23 -5.305 5.001 6.752 1.00 0.00 C ATOM 360 OE1 GLU A 23 -5.238 6.168 7.101 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.117 4.054 7.497 1.00 0.00 O ATOM 0 H GLU A 23 -5.257 6.025 3.148 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.411 4.173 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.649 6.595 4.994 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.707 5.303 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.854 3.646 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.796 4.948 4.651 1.00 0.00 H new ATOM 368 N GLN A 24 -8.468 7.288 3.039 1.00 0.00 N ATOM 369 CA GLN A 24 -9.697 8.051 2.692 1.00 0.00 C ATOM 370 C GLN A 24 -10.061 7.856 1.222 1.00 0.00 C ATOM 371 O GLN A 24 -11.205 7.599 0.903 1.00 0.00 O ATOM 372 CB GLN A 24 -9.395 9.521 3.003 1.00 0.00 C ATOM 373 CG GLN A 24 -8.220 10.023 2.161 1.00 0.00 C ATOM 374 CD GLN A 24 -7.895 11.465 2.559 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.115 12.383 1.795 1.00 0.00 O ATOM 376 NE2 GLN A 24 -7.376 11.703 3.733 1.00 0.00 N ATOM 0 H GLN A 24 -7.650 7.853 3.266 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.555 7.703 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.278 10.129 2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.164 9.633 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.349 9.386 2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.469 9.973 1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.191 10.932 4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.155 12.660 4.009 1.00 0.00 H new ATOM 385 N LEU A 25 -9.124 7.964 0.314 1.00 0.00 N ATOM 386 CA LEU A 25 -9.499 7.766 -1.112 1.00 0.00 C ATOM 387 C LEU A 25 -9.815 6.289 -1.363 1.00 0.00 C ATOM 388 O LEU A 25 -10.485 5.948 -2.318 1.00 0.00 O ATOM 389 CB LEU A 25 -8.314 8.257 -1.955 1.00 0.00 C ATOM 390 CG LEU A 25 -7.093 7.361 -1.747 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.148 6.189 -2.729 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.821 8.181 -1.995 1.00 0.00 C ATOM 0 H LEU A 25 -8.142 8.175 0.494 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.394 8.326 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.590 8.264 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.068 9.283 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.087 6.976 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.278 5.550 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.056 5.612 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.149 6.570 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.946 7.548 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.827 8.561 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.785 9.017 -1.297 1.00 0.00 H new ATOM 404 N LEU A 26 -9.379 5.411 -0.493 1.00 0.00 N ATOM 405 CA LEU A 26 -9.712 3.971 -0.677 1.00 0.00 C ATOM 406 C LEU A 26 -11.121 3.738 -0.134 1.00 0.00 C ATOM 407 O LEU A 26 -12.008 3.303 -0.842 1.00 0.00 O ATOM 408 CB LEU A 26 -8.680 3.190 0.142 1.00 0.00 C ATOM 409 CG LEU A 26 -7.526 2.735 -0.762 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.367 2.219 0.099 1.00 0.00 C ATOM 411 CD2 LEU A 26 -8.011 1.613 -1.687 1.00 0.00 C ATOM 0 H LEU A 26 -8.813 5.629 0.327 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.686 3.658 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.296 3.814 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.152 2.324 0.606 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.184 3.580 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.550 1.897 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.018 3.016 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.708 1.376 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.191 1.290 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.356 0.771 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.832 1.979 -2.304 1.00 0.00 H new ATOM 423 N LYS A 27 -11.336 4.049 1.120 1.00 0.00 N ATOM 424 CA LYS A 27 -12.694 3.874 1.715 1.00 0.00 C ATOM 425 C LYS A 27 -13.729 4.693 0.937 1.00 0.00 C ATOM 426 O LYS A 27 -14.846 4.264 0.730 1.00 0.00 O ATOM 427 CB LYS A 27 -12.565 4.415 3.138 1.00 0.00 C ATOM 428 CG LYS A 27 -13.353 3.524 4.101 1.00 0.00 C ATOM 429 CD LYS A 27 -14.782 4.054 4.228 1.00 0.00 C ATOM 430 CE LYS A 27 -15.719 2.906 4.613 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.460 2.666 6.060 1.00 0.00 N ATOM 0 H LYS A 27 -10.629 4.417 1.757 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.023 2.835 1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.516 4.446 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.940 5.438 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.365 2.497 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.870 3.510 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.824 4.840 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.102 4.498 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.761 3.172 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.513 2.014 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.976 1.818 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.441 2.525 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.782 3.487 6.611 1.00 0.00 H new ATOM 445 N GLN A 28 -13.366 5.878 0.527 1.00 0.00 N ATOM 446 CA GLN A 28 -14.333 6.744 -0.217 1.00 0.00 C ATOM 447 C GLN A 28 -14.622 6.196 -1.623 1.00 0.00 C ATOM 448 O GLN A 28 -15.747 6.238 -2.082 1.00 0.00 O ATOM 449 CB GLN A 28 -13.660 8.113 -0.302 1.00 0.00 C ATOM 450 CG GLN A 28 -14.704 9.170 -0.664 1.00 0.00 C ATOM 451 CD GLN A 28 -15.538 9.508 0.573 1.00 0.00 C ATOM 452 OE1 GLN A 28 -16.712 9.200 0.632 1.00 0.00 O ATOM 453 NE2 GLN A 28 -14.977 10.136 1.570 1.00 0.00 N ATOM 0 H GLN A 28 -12.443 6.286 0.674 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.297 6.786 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.191 8.360 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.869 8.096 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.213 10.067 -1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.349 8.801 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.992 10.394 1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.524 10.368 2.399 1.00 0.00 H new ATOM 462 N GLU A 29 -13.634 5.684 -2.314 1.00 0.00 N ATOM 463 CA GLU A 29 -13.901 5.146 -3.683 1.00 0.00 C ATOM 464 C GLU A 29 -14.749 3.879 -3.567 1.00 0.00 C ATOM 465 O GLU A 29 -15.644 3.646 -4.356 1.00 0.00 O ATOM 466 CB GLU A 29 -12.525 4.861 -4.301 1.00 0.00 C ATOM 467 CG GLU A 29 -12.649 4.756 -5.828 1.00 0.00 C ATOM 468 CD GLU A 29 -13.306 6.019 -6.391 1.00 0.00 C ATOM 469 OE1 GLU A 29 -12.867 7.100 -6.037 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.239 5.882 -7.166 1.00 0.00 O ATOM 0 H GLU A 29 -12.667 5.616 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.456 5.843 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.827 5.656 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.120 3.934 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.663 4.621 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.241 3.880 -6.093 1.00 0.00 H new ATOM 477 N GLY A 30 -14.499 3.081 -2.564 1.00 0.00 N ATOM 478 CA GLY A 30 -15.315 1.857 -2.367 1.00 0.00 C ATOM 479 C GLY A 30 -14.787 0.693 -3.210 1.00 0.00 C ATOM 480 O GLY A 30 -15.529 -0.194 -3.586 1.00 0.00 O ATOM 0 H GLY A 30 -13.763 3.228 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.307 1.578 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.352 2.062 -2.635 1.00 0.00 H new ATOM 484 N LYS A 31 -13.515 0.675 -3.498 1.00 0.00 N ATOM 485 CA LYS A 31 -12.949 -0.451 -4.301 1.00 0.00 C ATOM 486 C LYS A 31 -12.424 -1.541 -3.367 1.00 0.00 C ATOM 487 O LYS A 31 -11.317 -1.449 -2.872 1.00 0.00 O ATOM 488 CB LYS A 31 -11.778 0.147 -5.091 1.00 0.00 C ATOM 489 CG LYS A 31 -12.157 1.518 -5.677 1.00 0.00 C ATOM 490 CD LYS A 31 -13.507 1.439 -6.401 1.00 0.00 C ATOM 491 CE LYS A 31 -13.365 1.997 -7.819 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.236 1.132 -8.662 1.00 0.00 N ATOM 0 H LYS A 31 -12.843 1.388 -3.214 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.700 -0.895 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.910 0.252 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.492 -0.531 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.208 2.259 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.385 1.849 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.850 0.405 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.259 2.004 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.680 3.040 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.329 1.961 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.647 0.579 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.777 0.486 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.893 1.727 -9.206 1.00 0.00 H new ATOM 506 N GLU A 32 -13.189 -2.572 -3.111 1.00 0.00 N ATOM 507 CA GLU A 32 -12.673 -3.634 -2.196 1.00 0.00 C ATOM 508 C GLU A 32 -11.411 -4.250 -2.784 1.00 0.00 C ATOM 509 O GLU A 32 -11.417 -4.804 -3.866 1.00 0.00 O ATOM 510 CB GLU A 32 -13.763 -4.696 -2.045 1.00 0.00 C ATOM 511 CG GLU A 32 -14.363 -5.046 -3.412 1.00 0.00 C ATOM 512 CD GLU A 32 -15.777 -4.469 -3.516 1.00 0.00 C ATOM 513 OE1 GLU A 32 -16.504 -4.556 -2.539 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.108 -3.950 -4.568 1.00 0.00 O ATOM 0 H GLU A 32 -14.126 -2.723 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.425 -3.214 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.346 -5.591 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.546 -4.331 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.736 -4.645 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.390 -6.128 -3.542 1.00 0.00 H new ATOM 521 N GLY A 33 -10.328 -4.142 -2.077 1.00 0.00 N ATOM 522 CA GLY A 33 -9.054 -4.696 -2.573 1.00 0.00 C ATOM 523 C GLY A 33 -8.321 -3.632 -3.395 1.00 0.00 C ATOM 524 O GLY A 33 -7.439 -3.942 -4.168 1.00 0.00 O ATOM 0 H GLY A 33 -10.274 -3.687 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.433 -5.016 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.242 -5.578 -3.185 1.00 0.00 H new ATOM 528 N GLY A 34 -8.664 -2.374 -3.232 1.00 0.00 N ATOM 529 CA GLY A 34 -7.962 -1.314 -4.007 1.00 0.00 C ATOM 530 C GLY A 34 -6.473 -1.412 -3.716 1.00 0.00 C ATOM 531 O GLY A 34 -6.078 -1.768 -2.624 1.00 0.00 O ATOM 0 H GLY A 34 -9.394 -2.043 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.149 -1.438 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.338 -0.329 -3.730 1.00 0.00 H new ATOM 535 N PHE A 35 -5.646 -1.133 -4.683 1.00 0.00 N ATOM 536 CA PHE A 35 -4.178 -1.250 -4.451 1.00 0.00 C ATOM 537 C PHE A 35 -3.435 0.018 -4.885 1.00 0.00 C ATOM 538 O PHE A 35 -3.522 0.443 -6.021 1.00 0.00 O ATOM 539 CB PHE A 35 -3.765 -2.436 -5.316 1.00 0.00 C ATOM 540 CG PHE A 35 -2.336 -2.816 -5.023 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.289 -2.133 -5.650 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.060 -3.864 -4.140 1.00 0.00 C ATOM 543 CE1 PHE A 35 0.038 -2.499 -5.392 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.735 -4.229 -3.879 1.00 0.00 C ATOM 545 CZ PHE A 35 0.314 -3.547 -4.506 1.00 0.00 C ATOM 0 H PHE A 35 -5.919 -0.831 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.938 -1.384 -3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.422 -3.284 -5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.874 -2.183 -6.371 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.504 -1.324 -6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.870 -4.392 -3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.848 -1.973 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.522 -5.036 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.337 -3.829 -4.306 1.00 0.00 H new ATOM 555 N ILE A 36 -2.687 0.612 -3.988 1.00 0.00 N ATOM 556 CA ILE A 36 -1.914 1.838 -4.346 1.00 0.00 C ATOM 557 C ILE A 36 -0.465 1.687 -3.873 1.00 0.00 C ATOM 558 O ILE A 36 -0.165 0.877 -3.020 1.00 0.00 O ATOM 559 CB ILE A 36 -2.590 2.994 -3.600 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.058 3.099 -4.017 1.00 0.00 C ATOM 561 CG2 ILE A 36 -1.871 4.301 -3.942 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.717 4.286 -3.298 1.00 0.00 C ATOM 0 H ILE A 36 -2.579 0.299 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.901 2.010 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.537 2.810 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.131 3.229 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.583 2.176 -3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.347 5.127 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.826 4.231 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.927 4.477 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.763 4.358 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.658 4.137 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.199 5.207 -3.566 1.00 0.00 H new ATOM 574 N VAL A 37 0.430 2.469 -4.413 1.00 0.00 N ATOM 575 CA VAL A 37 1.857 2.380 -3.988 1.00 0.00 C ATOM 576 C VAL A 37 2.526 3.749 -4.121 1.00 0.00 C ATOM 577 O VAL A 37 2.144 4.556 -4.946 1.00 0.00 O ATOM 578 CB VAL A 37 2.514 1.375 -4.933 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.976 1.179 -4.525 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.783 0.034 -4.850 1.00 0.00 C ATOM 0 H VAL A 37 0.235 3.167 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 37 1.951 2.068 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 37 2.463 1.752 -5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.448 0.462 -5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.501 2.132 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.021 0.802 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.255 -0.680 -5.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.833 -0.345 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.740 0.170 -5.136 1.00 0.00 H new ATOM 590 N ARG A 38 3.522 4.018 -3.320 1.00 0.00 N ATOM 591 CA ARG A 38 4.211 5.341 -3.412 1.00 0.00 C ATOM 592 C ARG A 38 5.689 5.213 -3.035 1.00 0.00 C ATOM 593 O ARG A 38 6.094 4.280 -2.367 1.00 0.00 O ATOM 594 CB ARG A 38 3.478 6.248 -2.420 1.00 0.00 C ATOM 595 CG ARG A 38 3.490 5.619 -1.023 1.00 0.00 C ATOM 596 CD ARG A 38 4.628 6.224 -0.199 1.00 0.00 C ATOM 597 NE ARG A 38 4.160 7.592 0.158 1.00 0.00 N ATOM 598 CZ ARG A 38 4.505 8.122 1.299 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.736 8.018 1.721 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.621 8.757 2.018 1.00 0.00 N ATOM 0 H ARG A 38 3.888 3.384 -2.609 1.00 0.00 H new ATOM 0 HA ARG A 38 4.184 5.740 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.955 7.228 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.450 6.404 -2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.535 5.793 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.617 4.539 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.829 5.630 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.554 6.261 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 38 3.570 8.114 -0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.428 7.522 1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.006 8.432 2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.659 8.839 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.891 9.171 2.910 1.00 0.00 H new ATOM 614 N ASP A 39 6.499 6.146 -3.467 1.00 0.00 N ATOM 615 CA ASP A 39 7.958 6.088 -3.145 1.00 0.00 C ATOM 616 C ASP A 39 8.219 6.605 -1.726 1.00 0.00 C ATOM 617 O ASP A 39 7.421 7.325 -1.160 1.00 0.00 O ATOM 618 CB ASP A 39 8.626 6.999 -4.175 1.00 0.00 C ATOM 619 CG ASP A 39 10.074 6.554 -4.389 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.811 6.516 -3.417 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.421 6.256 -5.520 1.00 0.00 O ATOM 0 H ASP A 39 6.213 6.947 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 39 8.344 5.069 -3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.080 6.961 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.599 8.033 -3.832 1.00 0.00 H new ATOM 626 N SER A 40 9.335 6.240 -1.149 1.00 0.00 N ATOM 627 CA SER A 40 9.656 6.705 0.233 1.00 0.00 C ATOM 628 C SER A 40 10.803 7.722 0.199 1.00 0.00 C ATOM 629 O SER A 40 10.980 8.436 -0.768 1.00 0.00 O ATOM 630 CB SER A 40 10.073 5.442 0.984 1.00 0.00 C ATOM 631 OG SER A 40 10.191 5.736 2.370 1.00 0.00 O ATOM 0 H SER A 40 10.039 5.639 -1.577 1.00 0.00 H new ATOM 0 HA SER A 40 8.812 7.202 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.337 4.653 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.022 5.072 0.597 1.00 0.00 H new ATOM 0 HG SER A 40 9.464 5.298 2.860 1.00 0.00 H new ATOM 637 N SER A 41 11.583 7.797 1.249 1.00 0.00 N ATOM 638 CA SER A 41 12.713 8.773 1.272 1.00 0.00 C ATOM 639 C SER A 41 13.885 8.217 2.088 1.00 0.00 C ATOM 640 O SER A 41 14.981 8.061 1.588 1.00 0.00 O ATOM 641 CB SER A 41 12.143 10.023 1.939 1.00 0.00 C ATOM 642 OG SER A 41 11.119 10.567 1.118 1.00 0.00 O ATOM 0 H SER A 41 11.486 7.226 2.088 1.00 0.00 H new ATOM 0 HA SER A 41 13.096 8.980 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.743 9.775 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.932 10.759 2.092 1.00 0.00 H new ATOM 0 HG SER A 41 10.750 11.369 1.544 1.00 0.00 H new ATOM 648 N LYS A 42 13.662 7.917 3.342 1.00 0.00 N ATOM 649 CA LYS A 42 14.765 7.372 4.193 1.00 0.00 C ATOM 650 C LYS A 42 15.418 6.168 3.507 1.00 0.00 C ATOM 651 O LYS A 42 16.555 6.225 3.082 1.00 0.00 O ATOM 652 CB LYS A 42 14.088 6.943 5.496 1.00 0.00 C ATOM 653 CG LYS A 42 13.556 8.179 6.226 1.00 0.00 C ATOM 654 CD LYS A 42 12.390 7.774 7.132 1.00 0.00 C ATOM 655 CE LYS A 42 11.072 7.913 6.365 1.00 0.00 C ATOM 656 NZ LYS A 42 10.227 8.805 7.208 1.00 0.00 N ATOM 0 H LYS A 42 12.764 8.025 3.814 1.00 0.00 H new ATOM 0 HA LYS A 42 15.552 8.106 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.271 6.253 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.798 6.411 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.350 8.634 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.227 8.927 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.519 6.746 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.373 8.403 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.234 8.342 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.597 6.943 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.306 8.948 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.084 8.368 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.701 9.723 7.325 1.00 0.00 H new ATOM 670 N ALA A 43 14.700 5.084 3.387 1.00 0.00 N ATOM 671 CA ALA A 43 15.269 3.877 2.718 1.00 0.00 C ATOM 672 C ALA A 43 15.039 3.957 1.211 1.00 0.00 C ATOM 673 O ALA A 43 15.627 3.221 0.443 1.00 0.00 O ATOM 674 CB ALA A 43 14.484 2.694 3.286 1.00 0.00 C ATOM 0 H ALA A 43 13.743 4.981 3.724 1.00 0.00 H new ATOM 0 HA ALA A 43 16.342 3.787 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.847 1.768 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.619 2.653 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.425 2.816 3.057 1.00 0.00 H new ATOM 680 N GLY A 44 14.156 4.818 0.786 1.00 0.00 N ATOM 681 CA GLY A 44 13.856 4.909 -0.665 1.00 0.00 C ATOM 682 C GLY A 44 13.035 3.678 -1.039 1.00 0.00 C ATOM 683 O GLY A 44 13.072 3.203 -2.158 1.00 0.00 O ATOM 0 H GLY A 44 13.632 5.460 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.302 5.821 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.778 4.947 -1.246 1.00 0.00 H new ATOM 687 N LYS A 45 12.301 3.151 -0.091 1.00 0.00 N ATOM 688 CA LYS A 45 11.480 1.941 -0.358 1.00 0.00 C ATOM 689 C LYS A 45 10.091 2.345 -0.856 1.00 0.00 C ATOM 690 O LYS A 45 9.793 3.514 -1.001 1.00 0.00 O ATOM 691 CB LYS A 45 11.378 1.227 0.989 1.00 0.00 C ATOM 692 CG LYS A 45 10.613 2.100 1.990 1.00 0.00 C ATOM 693 CD LYS A 45 11.242 1.956 3.377 1.00 0.00 C ATOM 694 CE LYS A 45 11.220 3.308 4.097 1.00 0.00 C ATOM 695 NZ LYS A 45 11.787 3.032 5.448 1.00 0.00 N ATOM 0 H LYS A 45 12.238 3.513 0.861 1.00 0.00 H new ATOM 0 HA LYS A 45 11.920 1.304 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.869 0.271 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.376 1.010 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.639 3.143 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.565 1.803 2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.696 1.214 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.268 1.598 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.814 4.050 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.206 3.702 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.947 3.930 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.120 2.448 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.690 2.525 5.349 1.00 0.00 H new ATOM 709 N TYR A 46 9.236 1.390 -1.112 1.00 0.00 N ATOM 710 CA TYR A 46 7.864 1.730 -1.594 1.00 0.00 C ATOM 711 C TYR A 46 6.816 1.289 -0.566 1.00 0.00 C ATOM 712 O TYR A 46 7.058 0.418 0.251 1.00 0.00 O ATOM 713 CB TYR A 46 7.671 0.951 -2.906 1.00 0.00 C ATOM 714 CG TYR A 46 8.852 1.145 -3.843 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.618 2.317 -3.793 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.175 0.143 -4.768 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.702 2.486 -4.662 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.259 0.312 -5.638 1.00 0.00 C ATOM 719 CZ TYR A 46 11.023 1.484 -5.585 1.00 0.00 C ATOM 720 OH TYR A 46 12.091 1.651 -6.441 1.00 0.00 O ATOM 0 H TYR A 46 9.427 0.393 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 46 7.749 2.804 -1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.548 -0.110 -2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.756 1.283 -3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.371 3.092 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.586 -0.762 -4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.291 3.390 -4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.506 -0.462 -6.350 1.00 0.00 H new ATOM 0 HH TYR A 46 12.176 0.862 -7.015 1.00 0.00 H new ATOM 730 N THR A 47 5.647 1.873 -0.616 1.00 0.00 N ATOM 731 CA THR A 47 4.566 1.478 0.336 1.00 0.00 C ATOM 732 C THR A 47 3.330 1.067 -0.459 1.00 0.00 C ATOM 733 O THR A 47 2.904 1.771 -1.353 1.00 0.00 O ATOM 734 CB THR A 47 4.275 2.723 1.182 1.00 0.00 C ATOM 735 OG1 THR A 47 5.441 3.083 1.909 1.00 0.00 O ATOM 736 CG2 THR A 47 3.128 2.431 2.161 1.00 0.00 C ATOM 0 H THR A 47 5.394 2.608 -1.276 1.00 0.00 H new ATOM 0 HA THR A 47 4.853 0.637 0.968 1.00 0.00 H new ATOM 0 HB THR A 47 3.985 3.544 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.257 3.880 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.926 3.319 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.233 2.158 1.602 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.410 1.608 2.817 1.00 0.00 H new ATOM 744 N VAL A 48 2.765 -0.070 -0.153 1.00 0.00 N ATOM 745 CA VAL A 48 1.564 -0.536 -0.906 1.00 0.00 C ATOM 746 C VAL A 48 0.287 -0.309 -0.084 1.00 0.00 C ATOM 747 O VAL A 48 0.044 -0.978 0.899 1.00 0.00 O ATOM 748 CB VAL A 48 1.816 -2.029 -1.133 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.550 -2.703 -1.662 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.944 -2.201 -2.152 1.00 0.00 C ATOM 0 H VAL A 48 3.083 -0.697 0.586 1.00 0.00 H new ATOM 0 HA VAL A 48 1.419 0.004 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 48 2.096 -2.491 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.742 -3.764 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.256 -2.583 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.260 -2.243 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.127 -3.263 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.659 -1.732 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.852 -1.731 -1.773 1.00 0.00 H new ATOM 760 N SER A 49 -0.530 0.627 -0.490 1.00 0.00 N ATOM 761 CA SER A 49 -1.794 0.905 0.257 1.00 0.00 C ATOM 762 C SER A 49 -2.967 0.153 -0.378 1.00 0.00 C ATOM 763 O SER A 49 -3.353 0.430 -1.497 1.00 0.00 O ATOM 764 CB SER A 49 -2.003 2.412 0.123 1.00 0.00 C ATOM 765 OG SER A 49 -1.325 3.077 1.181 1.00 0.00 O ATOM 0 H SER A 49 -0.376 1.214 -1.310 1.00 0.00 H new ATOM 0 HA SER A 49 -1.735 0.584 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.627 2.759 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.067 2.647 0.153 1.00 0.00 H new ATOM 0 HG SER A 49 -1.974 3.362 1.858 1.00 0.00 H new ATOM 771 N VAL A 50 -3.542 -0.790 0.323 1.00 0.00 N ATOM 772 CA VAL A 50 -4.694 -1.541 -0.265 1.00 0.00 C ATOM 773 C VAL A 50 -5.882 -1.549 0.705 1.00 0.00 C ATOM 774 O VAL A 50 -5.707 -1.699 1.900 1.00 0.00 O ATOM 775 CB VAL A 50 -4.178 -2.968 -0.497 1.00 0.00 C ATOM 776 CG1 VAL A 50 -2.853 -2.923 -1.260 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.956 -3.670 0.848 1.00 0.00 C ATOM 0 H VAL A 50 -3.269 -1.071 1.265 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.045 -1.083 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.918 -3.518 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.492 -3.939 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.004 -2.434 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.118 -2.364 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.590 -4.682 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.222 -3.114 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.898 -3.714 1.395 1.00 0.00 H new ATOM 787 N PHE A 51 -7.089 -1.388 0.212 1.00 0.00 N ATOM 788 CA PHE A 51 -8.259 -1.398 1.145 1.00 0.00 C ATOM 789 C PHE A 51 -9.406 -2.250 0.592 1.00 0.00 C ATOM 790 O PHE A 51 -9.475 -2.517 -0.588 1.00 0.00 O ATOM 791 CB PHE A 51 -8.685 0.075 1.271 1.00 0.00 C ATOM 792 CG PHE A 51 -10.154 0.237 0.927 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.570 0.171 -0.407 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.097 0.449 1.942 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.922 0.315 -0.726 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.449 0.594 1.620 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.863 0.525 0.287 1.00 0.00 C ATOM 0 H PHE A 51 -7.311 -1.253 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.999 -1.834 2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.503 0.426 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.080 0.692 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.845 0.009 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.779 0.500 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.241 0.264 -1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.175 0.760 2.402 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.909 0.634 0.039 1.00 0.00 H new ATOM 807 N ALA A 52 -10.324 -2.638 1.442 1.00 0.00 N ATOM 808 CA ALA A 52 -11.497 -3.437 0.974 1.00 0.00 C ATOM 809 C ALA A 52 -12.657 -3.309 1.960 1.00 0.00 C ATOM 810 O ALA A 52 -12.530 -2.712 3.004 1.00 0.00 O ATOM 811 CB ALA A 52 -11.031 -4.886 0.904 1.00 0.00 C ATOM 0 H ALA A 52 -10.311 -2.435 2.442 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.849 -3.084 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.853 -5.517 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.199 -4.967 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.707 -5.212 1.892 1.00 0.00 H new ATOM 817 N LYS A 53 -13.790 -3.859 1.628 1.00 0.00 N ATOM 818 CA LYS A 53 -14.963 -3.764 2.540 1.00 0.00 C ATOM 819 C LYS A 53 -15.516 -5.163 2.848 1.00 0.00 C ATOM 820 O LYS A 53 -16.680 -5.437 2.625 1.00 0.00 O ATOM 821 CB LYS A 53 -15.983 -2.956 1.743 1.00 0.00 C ATOM 822 CG LYS A 53 -15.656 -1.468 1.862 1.00 0.00 C ATOM 823 CD LYS A 53 -16.789 -0.641 1.255 1.00 0.00 C ATOM 824 CE LYS A 53 -18.063 -0.813 2.087 1.00 0.00 C ATOM 825 NZ LYS A 53 -19.071 0.066 1.432 1.00 0.00 N ATOM 0 H LYS A 53 -13.955 -4.372 0.762 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.716 -3.307 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -15.967 -3.261 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.989 -3.150 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.517 -1.199 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.719 -1.250 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.505 0.411 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.970 -0.955 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.392 -1.852 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.900 -0.522 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.973 0.002 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.734 1.050 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.211 -0.240 0.448 1.00 0.00 H new ATOM 839 N SER A 54 -14.699 -6.057 3.351 1.00 0.00 N ATOM 840 CA SER A 54 -15.206 -7.432 3.655 1.00 0.00 C ATOM 841 C SER A 54 -14.210 -8.219 4.518 1.00 0.00 C ATOM 842 O SER A 54 -13.556 -9.130 4.050 1.00 0.00 O ATOM 843 CB SER A 54 -15.368 -8.098 2.290 1.00 0.00 C ATOM 844 OG SER A 54 -15.658 -9.478 2.472 1.00 0.00 O ATOM 0 H SER A 54 -13.714 -5.897 3.562 1.00 0.00 H new ATOM 0 HA SER A 54 -16.138 -7.400 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.170 -7.617 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.456 -7.980 1.705 1.00 0.00 H new ATOM 0 HG SER A 54 -14.871 -9.932 2.841 1.00 0.00 H new ATOM 850 N THR A 55 -14.109 -7.888 5.781 1.00 0.00 N ATOM 851 CA THR A 55 -13.174 -8.621 6.699 1.00 0.00 C ATOM 852 C THR A 55 -13.244 -7.975 8.088 1.00 0.00 C ATOM 853 O THR A 55 -14.318 -7.818 8.637 1.00 0.00 O ATOM 854 CB THR A 55 -11.771 -8.487 6.083 1.00 0.00 C ATOM 855 OG1 THR A 55 -10.814 -9.040 6.976 1.00 0.00 O ATOM 856 CG2 THR A 55 -11.447 -7.015 5.838 1.00 0.00 C ATOM 0 H THR A 55 -14.638 -7.135 6.222 1.00 0.00 H new ATOM 0 HA THR A 55 -13.432 -9.674 6.811 1.00 0.00 H new ATOM 0 HB THR A 55 -11.742 -9.020 5.133 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.918 -8.959 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.452 -6.929 5.402 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.181 -6.590 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.476 -6.474 6.784 1.00 0.00 H new ATOM 864 N GLY A 56 -12.130 -7.577 8.664 1.00 0.00 N ATOM 865 CA GLY A 56 -12.186 -6.920 10.005 1.00 0.00 C ATOM 866 C GLY A 56 -13.221 -5.796 9.940 1.00 0.00 C ATOM 867 O GLY A 56 -13.930 -5.523 10.887 1.00 0.00 O ATOM 0 H GLY A 56 -11.197 -7.679 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.458 -7.644 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.208 -6.522 10.275 1.00 0.00 H new ATOM 871 N ASP A 57 -13.319 -5.165 8.800 1.00 0.00 N ATOM 872 CA ASP A 57 -14.307 -4.078 8.609 1.00 0.00 C ATOM 873 C ASP A 57 -15.151 -4.395 7.367 1.00 0.00 C ATOM 874 O ASP A 57 -14.745 -4.105 6.261 1.00 0.00 O ATOM 875 CB ASP A 57 -13.467 -2.834 8.367 1.00 0.00 C ATOM 876 CG ASP A 57 -14.123 -1.628 9.042 1.00 0.00 C ATOM 877 OD1 ASP A 57 -15.298 -1.406 8.801 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.440 -0.949 9.789 1.00 0.00 O ATOM 0 H ASP A 57 -12.743 -5.365 7.982 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.982 -3.955 9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.461 -2.981 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.367 -2.654 7.297 1.00 0.00 H new ATOM 883 N PRO A 58 -16.293 -4.996 7.576 1.00 0.00 N ATOM 884 CA PRO A 58 -17.174 -5.365 6.442 1.00 0.00 C ATOM 885 C PRO A 58 -17.511 -4.159 5.564 1.00 0.00 C ATOM 886 O PRO A 58 -17.928 -4.308 4.432 1.00 0.00 O ATOM 887 CB PRO A 58 -18.422 -5.889 7.150 1.00 0.00 C ATOM 888 CG PRO A 58 -18.196 -5.830 8.671 1.00 0.00 C ATOM 889 CD PRO A 58 -16.774 -5.328 8.937 1.00 0.00 C ATOM 0 HA PRO A 58 -16.715 -6.085 5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.290 -5.291 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.629 -6.913 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.924 -5.165 9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.337 -6.816 9.113 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.767 -4.458 9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.156 -6.091 9.411 1.00 0.00 H new ATOM 897 N GLN A 59 -17.364 -2.973 6.077 1.00 0.00 N ATOM 898 CA GLN A 59 -17.711 -1.771 5.262 1.00 0.00 C ATOM 899 C GLN A 59 -16.539 -0.788 5.138 1.00 0.00 C ATOM 900 O GLN A 59 -16.748 0.406 5.041 1.00 0.00 O ATOM 901 CB GLN A 59 -18.867 -1.117 6.016 1.00 0.00 C ATOM 902 CG GLN A 59 -18.448 -0.879 7.467 1.00 0.00 C ATOM 903 CD GLN A 59 -19.331 0.205 8.085 1.00 0.00 C ATOM 904 OE1 GLN A 59 -18.946 1.355 8.151 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.509 -0.115 8.545 1.00 0.00 N ATOM 0 H GLN A 59 -17.021 -2.780 7.018 1.00 0.00 H new ATOM 0 HA GLN A 59 -17.966 -2.052 4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.138 -0.173 5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.749 -1.756 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.536 -1.803 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.401 -0.577 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.833 -1.081 8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -21.106 0.600 8.960 1.00 0.00 H new ATOM 914 N GLY A 60 -15.315 -1.253 5.113 1.00 0.00 N ATOM 915 CA GLY A 60 -14.185 -0.297 4.962 1.00 0.00 C ATOM 916 C GLY A 60 -12.903 -0.840 5.598 1.00 0.00 C ATOM 917 O GLY A 60 -12.720 -0.780 6.798 1.00 0.00 O ATOM 0 H GLY A 60 -15.055 -2.236 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.012 -0.100 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.447 0.654 5.425 1.00 0.00 H new ATOM 921 N VAL A 61 -12.006 -1.357 4.798 1.00 0.00 N ATOM 922 CA VAL A 61 -10.727 -1.902 5.349 1.00 0.00 C ATOM 923 C VAL A 61 -9.538 -1.342 4.591 1.00 0.00 C ATOM 924 O VAL A 61 -9.580 -1.170 3.398 1.00 0.00 O ATOM 925 CB VAL A 61 -10.789 -3.411 5.134 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.551 -4.063 5.754 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.049 -3.976 5.778 1.00 0.00 C ATOM 0 H VAL A 61 -12.104 -1.426 3.785 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.610 -1.636 6.400 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.814 -3.623 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.593 -5.141 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.654 -3.664 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.523 -3.848 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.086 -5.054 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.037 -3.766 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.927 -3.513 5.328 1.00 0.00 H new ATOM 937 N ILE A 62 -8.484 -1.050 5.290 1.00 0.00 N ATOM 938 CA ILE A 62 -7.275 -0.478 4.628 1.00 0.00 C ATOM 939 C ILE A 62 -5.992 -0.994 5.284 1.00 0.00 C ATOM 940 O ILE A 62 -5.990 -1.435 6.416 1.00 0.00 O ATOM 941 CB ILE A 62 -7.397 1.036 4.825 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.855 1.383 5.178 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.978 1.746 3.532 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.043 2.889 5.267 1.00 0.00 C ATOM 0 H ILE A 62 -8.402 -1.182 6.298 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.221 -0.760 3.576 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.748 1.364 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.525 0.972 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.124 0.921 6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.063 2.825 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.946 1.490 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.628 1.429 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.080 3.112 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.388 3.292 6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.795 3.344 4.308 1.00 0.00 H new ATOM 956 N ARG A 63 -4.898 -0.930 4.572 1.00 0.00 N ATOM 957 CA ARG A 63 -3.598 -1.404 5.133 1.00 0.00 C ATOM 958 C ARG A 63 -2.458 -1.037 4.176 1.00 0.00 C ATOM 959 O ARG A 63 -2.435 -1.465 3.038 1.00 0.00 O ATOM 960 CB ARG A 63 -3.744 -2.924 5.240 1.00 0.00 C ATOM 961 CG ARG A 63 -3.086 -3.412 6.532 1.00 0.00 C ATOM 962 CD ARG A 63 -3.459 -4.876 6.773 1.00 0.00 C ATOM 963 NE ARG A 63 -4.610 -4.831 7.716 1.00 0.00 N ATOM 964 CZ ARG A 63 -4.563 -5.495 8.837 1.00 0.00 C ATOM 965 NH1 ARG A 63 -4.125 -6.724 8.849 1.00 0.00 N ATOM 966 NH2 ARG A 63 -4.953 -4.931 9.946 1.00 0.00 N ATOM 0 H ARG A 63 -4.849 -0.567 3.620 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.367 -0.952 6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.798 -3.200 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.280 -3.406 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.003 -3.308 6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.412 -2.799 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.731 -5.372 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.623 -5.431 7.197 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.437 -4.280 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.819 -7.165 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.088 -7.244 9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.295 -3.970 9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.916 -5.451 10.823 1.00 0.00 H new ATOM 980 N HIS A 64 -1.516 -0.243 4.621 1.00 0.00 N ATOM 981 CA HIS A 64 -0.390 0.150 3.717 1.00 0.00 C ATOM 982 C HIS A 64 0.835 -0.722 3.974 1.00 0.00 C ATOM 983 O HIS A 64 1.552 -0.537 4.938 1.00 0.00 O ATOM 984 CB HIS A 64 -0.065 1.615 4.038 1.00 0.00 C ATOM 985 CG HIS A 64 -1.332 2.372 4.329 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.391 2.409 3.435 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.729 3.115 5.412 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.363 3.151 3.990 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.012 3.606 5.196 1.00 0.00 N ATOM 0 H HIS A 64 -1.477 0.147 5.563 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.670 0.022 2.671 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.605 1.668 4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.457 2.073 3.198 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.426 1.955 2.522 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.136 3.292 6.297 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.313 3.355 3.519 1.00 0.00 H new ATOM 997 N TYR A 65 1.088 -1.658 3.106 1.00 0.00 N ATOM 998 CA TYR A 65 2.278 -2.533 3.279 1.00 0.00 C ATOM 999 C TYR A 65 3.512 -1.797 2.779 1.00 0.00 C ATOM 1000 O TYR A 65 3.577 -1.391 1.639 1.00 0.00 O ATOM 1001 CB TYR A 65 2.032 -3.746 2.394 1.00 0.00 C ATOM 1002 CG TYR A 65 0.622 -4.265 2.574 1.00 0.00 C ATOM 1003 CD1 TYR A 65 0.033 -4.282 3.845 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.092 -4.740 1.468 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.266 -4.774 4.008 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.391 -5.229 1.631 1.00 0.00 C ATOM 1007 CZ TYR A 65 -1.979 -5.248 2.901 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.261 -5.734 3.063 1.00 0.00 O ATOM 0 H TYR A 65 0.521 -1.856 2.282 1.00 0.00 H new ATOM 0 HA TYR A 65 2.431 -2.812 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.196 -3.479 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.747 -4.531 2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.582 -3.915 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.361 -4.729 0.488 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.719 -4.788 4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.942 -5.593 0.776 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.336 -6.609 2.629 1.00 0.00 H new ATOM 1018 N VAL A 66 4.491 -1.630 3.605 1.00 0.00 N ATOM 1019 CA VAL A 66 5.715 -0.921 3.145 1.00 0.00 C ATOM 1020 C VAL A 66 6.879 -1.897 3.063 1.00 0.00 C ATOM 1021 O VAL A 66 6.817 -2.999 3.572 1.00 0.00 O ATOM 1022 CB VAL A 66 6.001 0.159 4.189 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.197 0.997 3.725 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.775 1.063 4.352 1.00 0.00 C ATOM 0 H VAL A 66 4.504 -1.949 4.574 1.00 0.00 H new ATOM 0 HA VAL A 66 5.579 -0.486 2.155 1.00 0.00 H new ATOM 0 HB VAL A 66 6.226 -0.310 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.408 1.770 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.070 0.354 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.965 1.464 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.985 1.830 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.543 1.537 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.923 0.466 4.677 1.00 0.00 H new ATOM 1034 N VAL A 67 7.941 -1.506 2.423 1.00 0.00 N ATOM 1035 CA VAL A 67 9.106 -2.419 2.313 1.00 0.00 C ATOM 1036 C VAL A 67 10.335 -1.796 2.974 1.00 0.00 C ATOM 1037 O VAL A 67 10.644 -0.641 2.773 1.00 0.00 O ATOM 1038 CB VAL A 67 9.335 -2.590 0.814 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.537 -3.511 0.588 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.084 -3.204 0.174 1.00 0.00 C ATOM 0 H VAL A 67 8.053 -0.597 1.973 1.00 0.00 H new ATOM 0 HA VAL A 67 8.929 -3.372 2.811 1.00 0.00 H new ATOM 0 HB VAL A 67 9.532 -1.619 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.704 -3.636 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.424 -3.071 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.341 -4.483 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.246 -3.327 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.885 -4.176 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.231 -2.546 0.339 1.00 0.00 H new ATOM 1050 N CYS A 68 11.043 -2.562 3.751 1.00 0.00 N ATOM 1051 CA CYS A 68 12.263 -2.030 4.414 1.00 0.00 C ATOM 1052 C CYS A 68 13.480 -2.380 3.560 1.00 0.00 C ATOM 1053 O CYS A 68 13.403 -3.222 2.688 1.00 0.00 O ATOM 1054 CB CYS A 68 12.322 -2.737 5.768 1.00 0.00 C ATOM 1055 SG CYS A 68 13.609 -1.979 6.790 1.00 0.00 S ATOM 0 H CYS A 68 10.829 -3.538 3.957 1.00 0.00 H new ATOM 0 HA CYS A 68 12.248 -0.947 4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.357 -2.667 6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.532 -3.797 5.628 1.00 0.00 H new ATOM 0 HG CYS A 68 14.411 -2.901 7.232 1.00 0.00 H new ATOM 1061 N SER A 69 14.596 -1.742 3.783 1.00 0.00 N ATOM 1062 CA SER A 69 15.795 -2.053 2.954 1.00 0.00 C ATOM 1063 C SER A 69 17.061 -2.126 3.810 1.00 0.00 C ATOM 1064 O SER A 69 17.332 -1.261 4.620 1.00 0.00 O ATOM 1065 CB SER A 69 15.898 -0.899 1.959 1.00 0.00 C ATOM 1066 OG SER A 69 15.487 0.305 2.590 1.00 0.00 O ATOM 0 H SER A 69 14.730 -1.025 4.496 1.00 0.00 H new ATOM 0 HA SER A 69 15.699 -3.022 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.923 -0.803 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.273 -1.098 1.088 1.00 0.00 H new ATOM 0 HG SER A 69 16.267 0.753 2.980 1.00 0.00 H new ATOM 1072 N THR A 70 17.847 -3.149 3.612 1.00 0.00 N ATOM 1073 CA THR A 70 19.116 -3.293 4.381 1.00 0.00 C ATOM 1074 C THR A 70 20.293 -2.953 3.453 1.00 0.00 C ATOM 1075 O THR A 70 20.150 -3.015 2.249 1.00 0.00 O ATOM 1076 CB THR A 70 19.153 -4.765 4.810 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.323 -5.015 5.572 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.150 -5.661 3.573 1.00 0.00 C ATOM 0 H THR A 70 17.663 -3.898 2.944 1.00 0.00 H new ATOM 0 HA THR A 70 19.179 -2.632 5.246 1.00 0.00 H new ATOM 0 HB THR A 70 18.274 -4.982 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.341 -5.956 5.845 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.176 -6.706 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.246 -5.476 2.992 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.025 -5.441 2.962 1.00 0.00 H new ATOM 1086 N PRO A 71 21.415 -2.586 4.025 1.00 0.00 N ATOM 1087 CA PRO A 71 22.594 -2.221 3.202 1.00 0.00 C ATOM 1088 C PRO A 71 23.156 -3.406 2.408 1.00 0.00 C ATOM 1089 O PRO A 71 24.168 -3.281 1.748 1.00 0.00 O ATOM 1090 CB PRO A 71 23.599 -1.731 4.250 1.00 0.00 C ATOM 1091 CG PRO A 71 22.950 -1.839 5.644 1.00 0.00 C ATOM 1092 CD PRO A 71 21.572 -2.498 5.497 1.00 0.00 C ATOM 0 HA PRO A 71 22.353 -1.481 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.509 -2.329 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.886 -0.700 4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.581 -2.428 6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.850 -0.850 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.539 -3.480 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.785 -1.899 5.954 1.00 0.00 H new ATOM 1100 N GLN A 72 22.516 -4.542 2.436 1.00 0.00 N ATOM 1101 CA GLN A 72 23.035 -5.691 1.647 1.00 0.00 C ATOM 1102 C GLN A 72 22.275 -5.759 0.314 1.00 0.00 C ATOM 1103 O GLN A 72 22.177 -6.796 -0.309 1.00 0.00 O ATOM 1104 CB GLN A 72 22.761 -6.917 2.525 1.00 0.00 C ATOM 1105 CG GLN A 72 23.297 -8.183 1.853 1.00 0.00 C ATOM 1106 CD GLN A 72 24.808 -8.283 2.079 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.252 -8.559 3.176 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.620 -8.067 1.082 1.00 0.00 N ATOM 0 H GLN A 72 21.664 -4.723 2.966 1.00 0.00 H new ATOM 0 HA GLN A 72 24.095 -5.617 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.232 -6.787 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.690 -7.016 2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.799 -9.062 2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 72 23.079 -8.160 0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 72 25.247 -7.835 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.628 -8.130 1.223 1.00 0.00 H new ATOM 1117 N SER A 73 21.729 -4.646 -0.124 1.00 0.00 N ATOM 1118 CA SER A 73 20.959 -4.630 -1.406 1.00 0.00 C ATOM 1119 C SER A 73 19.762 -5.569 -1.280 1.00 0.00 C ATOM 1120 O SER A 73 19.510 -6.394 -2.137 1.00 0.00 O ATOM 1121 CB SER A 73 21.931 -5.130 -2.477 1.00 0.00 C ATOM 1122 OG SER A 73 21.513 -4.652 -3.749 1.00 0.00 O ATOM 0 H SER A 73 21.785 -3.747 0.355 1.00 0.00 H new ATOM 0 HA SER A 73 20.578 -3.639 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.941 -4.783 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.962 -6.220 -2.477 1.00 0.00 H new ATOM 0 HG SER A 73 22.134 -4.969 -4.438 1.00 0.00 H new ATOM 1128 N GLN A 74 19.040 -5.466 -0.195 1.00 0.00 N ATOM 1129 CA GLN A 74 17.873 -6.372 0.018 1.00 0.00 C ATOM 1130 C GLN A 74 16.681 -5.587 0.581 1.00 0.00 C ATOM 1131 O GLN A 74 16.823 -4.467 1.031 1.00 0.00 O ATOM 1132 CB GLN A 74 18.361 -7.410 1.034 1.00 0.00 C ATOM 1133 CG GLN A 74 19.890 -7.465 1.034 1.00 0.00 C ATOM 1134 CD GLN A 74 20.358 -8.745 1.732 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.385 -8.813 2.945 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.732 -9.767 1.013 1.00 0.00 N ATOM 0 H GLN A 74 19.208 -4.793 0.553 1.00 0.00 H new ATOM 0 HA GLN A 74 17.535 -6.833 -0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.998 -7.155 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.954 -8.391 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.265 -7.439 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.295 -6.591 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.709 -9.710 -0.005 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.047 -10.623 1.469 1.00 0.00 H new ATOM 1145 N TYR A 75 15.501 -6.162 0.543 1.00 0.00 N ATOM 1146 CA TYR A 75 14.295 -5.431 1.062 1.00 0.00 C ATOM 1147 C TYR A 75 13.300 -6.394 1.720 1.00 0.00 C ATOM 1148 O TYR A 75 13.301 -7.573 1.456 1.00 0.00 O ATOM 1149 CB TYR A 75 13.642 -4.789 -0.162 1.00 0.00 C ATOM 1150 CG TYR A 75 14.666 -4.024 -0.959 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.519 -4.703 -1.832 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.765 -2.639 -0.820 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.474 -3.999 -2.566 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.718 -1.931 -1.556 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.575 -2.610 -2.431 1.00 0.00 C ATOM 1156 OH TYR A 75 17.518 -1.911 -3.156 1.00 0.00 O ATOM 0 H TYR A 75 15.320 -7.097 0.179 1.00 0.00 H new ATOM 0 HA TYR A 75 14.583 -4.699 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.187 -5.558 -0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.842 -4.119 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.439 -5.775 -1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.105 -2.115 -0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.135 -4.526 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.794 -0.859 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 75 17.452 -0.956 -2.944 1.00 0.00 H new ATOM 1166 N TYR A 76 12.431 -5.881 2.558 1.00 0.00 N ATOM 1167 CA TYR A 76 11.411 -6.753 3.232 1.00 0.00 C ATOM 1168 C TYR A 76 10.504 -5.922 4.143 1.00 0.00 C ATOM 1169 O TYR A 76 10.860 -4.847 4.577 1.00 0.00 O ATOM 1170 CB TYR A 76 12.213 -7.740 4.098 1.00 0.00 C ATOM 1171 CG TYR A 76 13.070 -6.978 5.087 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.509 -6.521 6.284 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.422 -6.739 4.815 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.294 -5.827 7.209 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.209 -6.044 5.740 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.647 -5.588 6.938 1.00 0.00 C ATOM 1177 OH TYR A 76 15.427 -4.902 7.849 1.00 0.00 O ATOM 0 H TYR A 76 12.382 -4.893 2.806 1.00 0.00 H new ATOM 0 HA TYR A 76 10.781 -7.253 2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.534 -8.406 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.842 -8.365 3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.466 -6.705 6.494 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.858 -7.091 3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.857 -5.475 8.132 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.252 -5.859 5.529 1.00 0.00 H new ATOM 0 HH TYR A 76 16.341 -4.825 7.504 1.00 0.00 H new ATOM 1187 N LEU A 77 9.365 -6.452 4.493 1.00 0.00 N ATOM 1188 CA LEU A 77 8.462 -5.736 5.442 1.00 0.00 C ATOM 1189 C LEU A 77 8.702 -6.366 6.818 1.00 0.00 C ATOM 1190 O LEU A 77 8.241 -5.900 7.841 1.00 0.00 O ATOM 1191 CB LEU A 77 7.039 -6.007 4.937 1.00 0.00 C ATOM 1192 CG LEU A 77 6.011 -5.462 5.937 1.00 0.00 C ATOM 1193 CD1 LEU A 77 6.110 -3.935 6.008 1.00 0.00 C ATOM 1194 CD2 LEU A 77 4.601 -5.852 5.479 1.00 0.00 C ATOM 0 H LEU A 77 9.018 -7.353 4.163 1.00 0.00 H new ATOM 0 HA LEU A 77 8.629 -4.661 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.895 -5.538 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.892 -7.078 4.800 1.00 0.00 H new ATOM 0 HG LEU A 77 6.213 -5.884 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.377 -3.556 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.111 -3.650 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.912 -3.511 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.868 -5.466 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.409 -5.430 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.522 -6.938 5.430 1.00 0.00 H new ATOM 1206 N ALA A 78 9.483 -7.413 6.808 1.00 0.00 N ATOM 1207 CA ALA A 78 9.879 -8.134 8.040 1.00 0.00 C ATOM 1208 C ALA A 78 11.207 -8.825 7.724 1.00 0.00 C ATOM 1209 O ALA A 78 11.295 -9.604 6.795 1.00 0.00 O ATOM 1210 CB ALA A 78 8.768 -9.152 8.300 1.00 0.00 C ATOM 0 H ALA A 78 9.876 -7.810 5.955 1.00 0.00 H new ATOM 0 HA ALA A 78 10.006 -7.498 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.999 -9.721 9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.820 -8.630 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.691 -9.831 7.451 1.00 0.00 H new ATOM 1216 N GLU A 79 12.248 -8.523 8.455 1.00 0.00 N ATOM 1217 CA GLU A 79 13.583 -9.140 8.161 1.00 0.00 C ATOM 1218 C GLU A 79 13.466 -10.653 7.961 1.00 0.00 C ATOM 1219 O GLU A 79 14.328 -11.277 7.375 1.00 0.00 O ATOM 1220 CB GLU A 79 14.444 -8.828 9.383 1.00 0.00 C ATOM 1221 CG GLU A 79 15.156 -7.495 9.168 1.00 0.00 C ATOM 1222 CD GLU A 79 16.220 -7.301 10.252 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.846 -7.205 11.410 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.388 -7.254 9.905 1.00 0.00 O ATOM 0 H GLU A 79 12.235 -7.876 9.244 1.00 0.00 H new ATOM 0 HA GLU A 79 14.011 -8.744 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.823 -8.782 10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.174 -9.622 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.619 -7.473 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.436 -6.677 9.200 1.00 0.00 H new ATOM 1231 N LYS A 80 12.403 -11.236 8.439 1.00 0.00 N ATOM 1232 CA LYS A 80 12.205 -12.711 8.277 1.00 0.00 C ATOM 1233 C LYS A 80 12.563 -13.149 6.851 1.00 0.00 C ATOM 1234 O LYS A 80 13.152 -14.190 6.640 1.00 0.00 O ATOM 1235 CB LYS A 80 10.716 -12.932 8.535 1.00 0.00 C ATOM 1236 CG LYS A 80 10.481 -13.168 10.031 1.00 0.00 C ATOM 1237 CD LYS A 80 9.727 -11.977 10.626 1.00 0.00 C ATOM 1238 CE LYS A 80 10.164 -11.768 12.078 1.00 0.00 C ATOM 1239 NZ LYS A 80 9.336 -10.631 12.569 1.00 0.00 N ATOM 0 H LYS A 80 11.656 -10.754 8.939 1.00 0.00 H new ATOM 0 HA LYS A 80 12.837 -13.287 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.146 -12.065 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.361 -13.788 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.909 -14.084 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.434 -13.300 10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.927 -11.078 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.652 -12.154 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.996 -12.665 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.228 -11.538 12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.578 -10.427 13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.522 -9.789 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.329 -10.881 12.503 1.00 0.00 H new ATOM 1253 N HIS A 81 12.215 -12.353 5.875 1.00 0.00 N ATOM 1254 CA HIS A 81 12.538 -12.704 4.462 1.00 0.00 C ATOM 1255 C HIS A 81 12.705 -11.420 3.656 1.00 0.00 C ATOM 1256 O HIS A 81 11.965 -10.472 3.838 1.00 0.00 O ATOM 1257 CB HIS A 81 11.336 -13.504 3.957 1.00 0.00 C ATOM 1258 CG HIS A 81 11.199 -14.769 4.758 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.236 -14.921 5.743 1.00 0.00 N ATOM 1260 CD2 HIS A 81 11.896 -15.951 4.730 1.00 0.00 C ATOM 1261 CE1 HIS A 81 10.378 -16.154 6.263 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.377 -16.824 5.681 1.00 0.00 N ATOM 0 H HIS A 81 11.718 -11.470 5.997 1.00 0.00 H new ATOM 0 HA HIS A 81 13.461 -13.277 4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.428 -12.908 4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.463 -13.742 2.901 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.722 -16.170 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.760 -16.553 7.054 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.691 -17.772 5.889 1.00 0.00 H new ATOM 1270 N LEU A 82 13.675 -11.359 2.785 1.00 0.00 N ATOM 1271 CA LEU A 82 13.870 -10.112 2.009 1.00 0.00 C ATOM 1272 C LEU A 82 14.432 -10.409 0.614 1.00 0.00 C ATOM 1273 O LEU A 82 15.227 -11.310 0.430 1.00 0.00 O ATOM 1274 CB LEU A 82 14.858 -9.290 2.849 1.00 0.00 C ATOM 1275 CG LEU A 82 16.223 -9.971 2.885 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.266 -8.979 3.404 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.182 -11.186 3.819 1.00 0.00 C ATOM 0 H LEU A 82 14.332 -12.112 2.582 1.00 0.00 H new ATOM 0 HA LEU A 82 12.934 -9.580 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.955 -8.288 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.475 -9.175 3.863 1.00 0.00 H new ATOM 0 HG LEU A 82 16.484 -10.300 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.244 -9.460 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.306 -8.114 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.992 -8.655 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.161 -11.664 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.918 -10.862 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.438 -11.897 3.459 1.00 0.00 H new ATOM 1289 N PHE A 83 14.023 -9.646 -0.365 1.00 0.00 N ATOM 1290 CA PHE A 83 14.532 -9.864 -1.749 1.00 0.00 C ATOM 1291 C PHE A 83 15.357 -8.649 -2.185 1.00 0.00 C ATOM 1292 O PHE A 83 15.841 -7.904 -1.358 1.00 0.00 O ATOM 1293 CB PHE A 83 13.280 -10.030 -2.611 1.00 0.00 C ATOM 1294 CG PHE A 83 12.794 -11.454 -2.496 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.297 -11.926 -1.274 1.00 0.00 C ATOM 1296 CD2 PHE A 83 12.846 -12.307 -3.604 1.00 0.00 C ATOM 1297 CE1 PHE A 83 11.852 -13.248 -1.162 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.399 -13.629 -3.493 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.903 -14.100 -2.272 1.00 0.00 C ATOM 0 H PHE A 83 13.357 -8.880 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 83 15.183 -10.734 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.503 -9.339 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.503 -9.791 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.257 -11.269 -0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.231 -11.945 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.469 -13.611 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.437 -14.286 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.560 -15.120 -2.186 1.00 0.00 H new ATOM 1309 N SER A 84 15.538 -8.447 -3.462 1.00 0.00 N ATOM 1310 CA SER A 84 16.357 -7.282 -3.915 1.00 0.00 C ATOM 1311 C SER A 84 15.478 -6.120 -4.401 1.00 0.00 C ATOM 1312 O SER A 84 15.979 -5.150 -4.938 1.00 0.00 O ATOM 1313 CB SER A 84 17.206 -7.824 -5.062 1.00 0.00 C ATOM 1314 OG SER A 84 18.021 -8.887 -4.585 1.00 0.00 O ATOM 0 H SER A 84 15.159 -9.032 -4.207 1.00 0.00 H new ATOM 0 HA SER A 84 16.958 -6.879 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.564 -8.177 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.829 -7.030 -5.475 1.00 0.00 H new ATOM 0 HG SER A 84 18.565 -9.237 -5.321 1.00 0.00 H new ATOM 1320 N THR A 85 14.181 -6.191 -4.219 1.00 0.00 N ATOM 1321 CA THR A 85 13.303 -5.060 -4.671 1.00 0.00 C ATOM 1322 C THR A 85 11.886 -5.211 -4.099 1.00 0.00 C ATOM 1323 O THR A 85 11.491 -6.279 -3.666 1.00 0.00 O ATOM 1324 CB THR A 85 13.246 -5.146 -6.203 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.478 -5.631 -6.719 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.965 -3.756 -6.776 1.00 0.00 C ATOM 0 H THR A 85 13.694 -6.974 -3.782 1.00 0.00 H new ATOM 0 HA THR A 85 13.698 -4.103 -4.329 1.00 0.00 H new ATOM 0 HB THR A 85 12.451 -5.834 -6.490 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.212 -5.065 -6.400 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.924 -3.812 -7.864 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.011 -3.391 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.760 -3.072 -6.478 1.00 0.00 H new ATOM 1334 N ILE A 86 11.112 -4.150 -4.108 1.00 0.00 N ATOM 1335 CA ILE A 86 9.720 -4.240 -3.577 1.00 0.00 C ATOM 1336 C ILE A 86 8.870 -5.200 -4.436 1.00 0.00 C ATOM 1337 O ILE A 86 8.275 -6.117 -3.904 1.00 0.00 O ATOM 1338 CB ILE A 86 9.182 -2.805 -3.630 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.638 -2.053 -2.377 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.650 -2.813 -3.684 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.870 -1.207 -2.704 1.00 0.00 C ATOM 0 H ILE A 86 11.385 -3.232 -4.459 1.00 0.00 H new ATOM 0 HA ILE A 86 9.687 -4.640 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 86 9.565 -2.313 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.834 -1.415 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.871 -2.760 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.282 -1.788 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.320 -3.350 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.257 -3.307 -2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.192 -0.673 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.675 -1.855 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.621 -0.489 -3.486 1.00 0.00 H new ATOM 1353 N PRO A 87 8.828 -4.978 -5.738 1.00 0.00 N ATOM 1354 CA PRO A 87 8.032 -5.862 -6.625 1.00 0.00 C ATOM 1355 C PRO A 87 8.474 -7.315 -6.452 1.00 0.00 C ATOM 1356 O PRO A 87 7.666 -8.224 -6.444 1.00 0.00 O ATOM 1357 CB PRO A 87 8.370 -5.338 -8.023 1.00 0.00 C ATOM 1358 CG PRO A 87 9.352 -4.160 -7.882 1.00 0.00 C ATOM 1359 CD PRO A 87 9.555 -3.863 -6.393 1.00 0.00 C ATOM 0 HA PRO A 87 6.962 -5.849 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.813 -6.130 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.464 -5.016 -8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.305 -4.405 -8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.962 -3.280 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.611 -3.853 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.145 -2.892 -6.114 1.00 0.00 H new ATOM 1367 N GLU A 88 9.751 -7.539 -6.300 1.00 0.00 N ATOM 1368 CA GLU A 88 10.243 -8.933 -6.111 1.00 0.00 C ATOM 1369 C GLU A 88 9.655 -9.505 -4.819 1.00 0.00 C ATOM 1370 O GLU A 88 9.201 -10.630 -4.778 1.00 0.00 O ATOM 1371 CB GLU A 88 11.764 -8.814 -6.008 1.00 0.00 C ATOM 1372 CG GLU A 88 12.393 -10.204 -6.122 1.00 0.00 C ATOM 1373 CD GLU A 88 12.334 -10.676 -7.576 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.858 -9.977 -8.427 1.00 0.00 O ATOM 1375 OE2 GLU A 88 11.764 -11.730 -7.813 1.00 0.00 O ATOM 0 H GLU A 88 10.473 -6.819 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 88 9.952 -9.597 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.143 -8.166 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.040 -8.355 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.428 -10.175 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.864 -10.907 -5.479 1.00 0.00 H new ATOM 1382 N LEU A 89 9.647 -8.725 -3.768 1.00 0.00 N ATOM 1383 CA LEU A 89 9.073 -9.209 -2.475 1.00 0.00 C ATOM 1384 C LEU A 89 7.587 -9.539 -2.655 1.00 0.00 C ATOM 1385 O LEU A 89 7.143 -10.632 -2.365 1.00 0.00 O ATOM 1386 CB LEU A 89 9.243 -8.040 -1.501 1.00 0.00 C ATOM 1387 CG LEU A 89 10.410 -8.325 -0.550 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.211 -7.039 -0.315 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.862 -8.836 0.786 1.00 0.00 C ATOM 0 H LEU A 89 10.013 -7.773 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 89 9.565 -10.113 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.428 -7.118 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.325 -7.892 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 89 11.061 -9.079 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.040 -7.245 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.601 -6.674 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.563 -6.282 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.690 -9.040 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.210 -8.080 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.295 -9.752 0.620 1.00 0.00 H new ATOM 1401 N ILE A 90 6.816 -8.595 -3.132 1.00 0.00 N ATOM 1402 CA ILE A 90 5.354 -8.843 -3.332 1.00 0.00 C ATOM 1403 C ILE A 90 5.136 -10.121 -4.148 1.00 0.00 C ATOM 1404 O ILE A 90 4.403 -11.005 -3.748 1.00 0.00 O ATOM 1405 CB ILE A 90 4.842 -7.619 -4.102 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.083 -6.345 -3.280 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.343 -7.771 -4.368 1.00 0.00 C ATOM 1408 CD1 ILE A 90 4.439 -6.488 -1.899 1.00 0.00 C ATOM 0 H ILE A 90 7.135 -7.662 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 90 4.828 -8.979 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 90 5.378 -7.545 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.153 -6.166 -3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.665 -5.482 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.980 -6.901 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.168 -8.670 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.811 -7.851 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.613 -5.581 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.366 -6.645 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.878 -7.340 -1.379 1.00 0.00 H new ATOM 1420 N ASN A 91 5.766 -10.227 -5.288 1.00 0.00 N ATOM 1421 CA ASN A 91 5.595 -11.451 -6.127 1.00 0.00 C ATOM 1422 C ASN A 91 6.049 -12.689 -5.349 1.00 0.00 C ATOM 1423 O ASN A 91 5.430 -13.733 -5.408 1.00 0.00 O ATOM 1424 CB ASN A 91 6.489 -11.226 -7.348 1.00 0.00 C ATOM 1425 CG ASN A 91 5.785 -11.754 -8.600 1.00 0.00 C ATOM 1426 OD1 ASN A 91 5.099 -12.756 -8.549 1.00 0.00 O ATOM 1427 ND2 ASN A 91 5.927 -11.116 -9.730 1.00 0.00 N ATOM 0 H ASN A 91 6.391 -9.520 -5.675 1.00 0.00 H new ATOM 0 HA ASN A 91 4.556 -11.616 -6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.708 -10.164 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.443 -11.735 -7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.462 -11.458 -10.571 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.503 -10.275 -9.772 1.00 0.00 H new ATOM 1434 N TYR A 92 7.126 -12.576 -4.619 1.00 0.00 N ATOM 1435 CA TYR A 92 7.625 -13.742 -3.831 1.00 0.00 C ATOM 1436 C TYR A 92 6.585 -14.142 -2.777 1.00 0.00 C ATOM 1437 O TYR A 92 6.485 -15.290 -2.393 1.00 0.00 O ATOM 1438 CB TYR A 92 8.934 -13.252 -3.186 1.00 0.00 C ATOM 1439 CG TYR A 92 8.955 -13.559 -1.705 1.00 0.00 C ATOM 1440 CD1 TYR A 92 9.085 -14.880 -1.266 1.00 0.00 C ATOM 1441 CD2 TYR A 92 8.847 -12.518 -0.775 1.00 0.00 C ATOM 1442 CE1 TYR A 92 9.107 -15.162 0.104 1.00 0.00 C ATOM 1443 CE2 TYR A 92 8.869 -12.799 0.595 1.00 0.00 C ATOM 1444 CZ TYR A 92 8.999 -14.121 1.036 1.00 0.00 C ATOM 1445 OH TYR A 92 9.021 -14.400 2.387 1.00 0.00 O ATOM 0 H TYR A 92 7.683 -11.726 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 92 7.796 -14.628 -4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.785 -13.730 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.040 -12.178 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.168 -15.682 -1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.747 -11.498 -1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.207 -16.182 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.786 -11.996 1.312 1.00 0.00 H new ATOM 0 HH TYR A 92 9.563 -15.200 2.547 1.00 0.00 H new ATOM 1455 N HIS A 93 5.810 -13.199 -2.308 1.00 0.00 N ATOM 1456 CA HIS A 93 4.778 -13.522 -1.280 1.00 0.00 C ATOM 1457 C HIS A 93 3.678 -14.394 -1.893 1.00 0.00 C ATOM 1458 O HIS A 93 3.206 -15.333 -1.283 1.00 0.00 O ATOM 1459 CB HIS A 93 4.211 -12.167 -0.840 1.00 0.00 C ATOM 1460 CG HIS A 93 4.246 -12.064 0.662 1.00 0.00 C ATOM 1461 ND1 HIS A 93 4.097 -10.854 1.322 1.00 0.00 N ATOM 1462 CD2 HIS A 93 4.412 -13.008 1.644 1.00 0.00 C ATOM 1463 CE1 HIS A 93 4.175 -11.100 2.642 1.00 0.00 C ATOM 1464 NE2 HIS A 93 4.368 -12.397 2.894 1.00 0.00 N ATOM 0 H HIS A 93 5.847 -12.220 -2.592 1.00 0.00 H new ATOM 0 HA HIS A 93 5.193 -14.078 -0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.792 -11.358 -1.283 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.187 -12.057 -1.198 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.555 -14.065 1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.092 -10.341 3.405 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.463 -12.844 3.806 1.00 0.00 H new ATOM 1472 N GLN A 94 3.268 -14.088 -3.095 1.00 0.00 N ATOM 1473 CA GLN A 94 2.198 -14.898 -3.750 1.00 0.00 C ATOM 1474 C GLN A 94 2.806 -16.133 -4.422 1.00 0.00 C ATOM 1475 O GLN A 94 2.682 -17.239 -3.934 1.00 0.00 O ATOM 1476 CB GLN A 94 1.579 -13.968 -4.793 1.00 0.00 C ATOM 1477 CG GLN A 94 0.266 -13.394 -4.253 1.00 0.00 C ATOM 1478 CD GLN A 94 -0.865 -14.397 -4.486 1.00 0.00 C ATOM 1479 OE1 GLN A 94 -0.643 -15.592 -4.481 1.00 0.00 O ATOM 1480 NE2 GLN A 94 -2.077 -13.959 -4.691 1.00 0.00 N ATOM 0 H GLN A 94 3.627 -13.313 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 94 1.457 -15.258 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.271 -13.160 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.396 -14.514 -5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.362 -13.179 -3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.038 -12.451 -4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.263 -12.956 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.838 -14.620 -4.847 1.00 0.00 H new ATOM 1489 N HIS A 95 3.461 -15.952 -5.541 1.00 0.00 N ATOM 1490 CA HIS A 95 4.080 -17.112 -6.253 1.00 0.00 C ATOM 1491 C HIS A 95 3.049 -18.230 -6.453 1.00 0.00 C ATOM 1492 O HIS A 95 3.197 -19.324 -5.942 1.00 0.00 O ATOM 1493 CB HIS A 95 5.215 -17.583 -5.340 1.00 0.00 C ATOM 1494 CG HIS A 95 6.528 -17.060 -5.857 1.00 0.00 C ATOM 1495 ND1 HIS A 95 6.659 -15.786 -6.387 1.00 0.00 N ATOM 1496 CD2 HIS A 95 7.775 -17.627 -5.933 1.00 0.00 C ATOM 1497 CE1 HIS A 95 7.943 -15.630 -6.754 1.00 0.00 C ATOM 1498 NE2 HIS A 95 8.667 -16.722 -6.500 1.00 0.00 N ATOM 0 H HIS A 95 3.594 -15.048 -5.994 1.00 0.00 H new ATOM 0 HA HIS A 95 4.442 -16.838 -7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 95 5.047 -17.231 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.236 -18.672 -5.301 1.00 0.00 H new ATOM 0 HD1 HIS A 95 5.917 -15.093 -6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.026 -18.624 -5.603 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.340 -14.730 -7.200 1.00 0.00 H new ATOM 1506 N ASN A 96 2.008 -17.963 -7.196 1.00 0.00 N ATOM 1507 CA ASN A 96 0.968 -19.007 -7.431 1.00 0.00 C ATOM 1508 C ASN A 96 0.127 -18.648 -8.660 1.00 0.00 C ATOM 1509 O ASN A 96 -1.061 -18.409 -8.563 1.00 0.00 O ATOM 1510 CB ASN A 96 0.105 -18.998 -6.168 1.00 0.00 C ATOM 1511 CG ASN A 96 -0.678 -20.308 -6.075 1.00 0.00 C ATOM 1512 OD1 ASN A 96 -1.892 -20.309 -6.112 1.00 0.00 O ATOM 1513 ND2 ASN A 96 -0.029 -21.434 -5.953 1.00 0.00 N ATOM 0 H ASN A 96 1.833 -17.067 -7.651 1.00 0.00 H new ATOM 0 HA ASN A 96 1.403 -19.989 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.734 -18.875 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.582 -18.152 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.541 -22.314 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.991 -21.434 -5.922 1.00 0.00 H new ATOM 1520 N SER A 97 0.736 -18.609 -9.816 1.00 0.00 N ATOM 1521 CA SER A 97 -0.027 -18.266 -11.052 1.00 0.00 C ATOM 1522 C SER A 97 0.722 -18.764 -12.291 1.00 0.00 C ATOM 1523 O SER A 97 1.849 -19.211 -12.210 1.00 0.00 O ATOM 1524 CB SER A 97 -0.110 -16.739 -11.053 1.00 0.00 C ATOM 1525 OG SER A 97 -1.397 -16.340 -10.603 1.00 0.00 O ATOM 0 H SER A 97 1.728 -18.800 -9.958 1.00 0.00 H new ATOM 0 HA SER A 97 -1.014 -18.729 -11.071 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.660 -16.321 -10.405 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.073 -16.354 -12.056 1.00 0.00 H new ATOM 0 HG SER A 97 -1.663 -16.894 -9.840 1.00 0.00 H new ATOM 1531 N ALA A 98 0.101 -18.691 -13.439 1.00 0.00 N ATOM 1532 CA ALA A 98 0.773 -19.159 -14.685 1.00 0.00 C ATOM 1533 C ALA A 98 1.513 -17.997 -15.355 1.00 0.00 C ATOM 1534 O ALA A 98 2.586 -18.166 -15.900 1.00 0.00 O ATOM 1535 CB ALA A 98 -0.361 -19.661 -15.582 1.00 0.00 C ATOM 0 H ALA A 98 -0.843 -18.327 -13.567 1.00 0.00 H new ATOM 0 HA ALA A 98 1.512 -19.936 -14.489 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.053 -20.024 -16.523 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.889 -20.472 -15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.055 -18.845 -15.782 1.00 0.00 H new ATOM 1541 N GLY A 99 0.946 -16.822 -15.318 1.00 0.00 N ATOM 1542 CA GLY A 99 1.614 -15.648 -15.951 1.00 0.00 C ATOM 1543 C GLY A 99 2.353 -14.841 -14.882 1.00 0.00 C ATOM 1544 O GLY A 99 1.902 -14.721 -13.759 1.00 0.00 O ATOM 0 H GLY A 99 0.048 -16.624 -14.876 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.314 -15.984 -16.716 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.875 -15.020 -16.449 1.00 0.00 H new ATOM 1548 N LEU A 100 3.485 -14.286 -15.222 1.00 0.00 N ATOM 1549 CA LEU A 100 4.255 -13.485 -14.227 1.00 0.00 C ATOM 1550 C LEU A 100 4.290 -12.013 -14.646 1.00 0.00 C ATOM 1551 O LEU A 100 5.344 -11.425 -14.797 1.00 0.00 O ATOM 1552 CB LEU A 100 5.663 -14.083 -14.243 1.00 0.00 C ATOM 1553 CG LEU A 100 5.621 -15.506 -13.685 1.00 0.00 C ATOM 1554 CD1 LEU A 100 6.952 -16.206 -13.969 1.00 0.00 C ATOM 1555 CD2 LEU A 100 5.387 -15.453 -12.173 1.00 0.00 C ATOM 0 H LEU A 100 3.910 -14.353 -16.147 1.00 0.00 H new ATOM 0 HA LEU A 100 3.809 -13.520 -13.233 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.054 -14.092 -15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.337 -13.468 -13.648 1.00 0.00 H new ATOM 0 HG LEU A 100 4.811 -16.059 -14.161 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.922 -17.220 -13.571 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.121 -16.243 -15.045 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.762 -15.654 -13.493 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.357 -16.467 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.198 -14.900 -11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.440 -14.954 -11.969 1.00 0.00 H new ATOM 1567 N ILE A 101 3.144 -11.414 -14.835 1.00 0.00 N ATOM 1568 CA ILE A 101 3.108 -9.979 -15.244 1.00 0.00 C ATOM 1569 C ILE A 101 3.125 -9.077 -14.008 1.00 0.00 C ATOM 1570 O ILE A 101 4.035 -8.295 -13.810 1.00 0.00 O ATOM 1571 CB ILE A 101 1.792 -9.817 -16.011 1.00 0.00 C ATOM 1572 CG1 ILE A 101 1.776 -10.767 -17.216 1.00 0.00 C ATOM 1573 CG2 ILE A 101 1.656 -8.372 -16.498 1.00 0.00 C ATOM 1574 CD1 ILE A 101 2.954 -10.452 -18.144 1.00 0.00 C ATOM 0 H ILE A 101 2.232 -11.856 -14.724 1.00 0.00 H new ATOM 0 HA ILE A 101 3.969 -9.701 -15.851 1.00 0.00 H new ATOM 0 HB ILE A 101 0.959 -10.057 -15.350 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.836 -11.801 -16.876 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.836 -10.664 -17.759 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.719 -8.259 -17.044 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.661 -7.697 -15.642 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.491 -8.130 -17.156 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.936 -11.130 -18.997 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.875 -9.424 -18.496 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.890 -10.578 -17.600 1.00 0.00 H new ATOM 1586 N SER A 102 2.125 -9.181 -13.173 1.00 0.00 N ATOM 1587 CA SER A 102 2.081 -8.329 -11.948 1.00 0.00 C ATOM 1588 C SER A 102 1.033 -8.863 -10.969 1.00 0.00 C ATOM 1589 O SER A 102 0.115 -9.564 -11.347 1.00 0.00 O ATOM 1590 CB SER A 102 1.689 -6.940 -12.446 1.00 0.00 C ATOM 1591 OG SER A 102 1.673 -6.035 -11.349 1.00 0.00 O ATOM 0 H SER A 102 1.337 -9.819 -13.286 1.00 0.00 H new ATOM 0 HA SER A 102 3.034 -8.319 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.396 -6.600 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.707 -6.974 -12.919 1.00 0.00 H new ATOM 0 HG SER A 102 1.423 -5.142 -11.665 1.00 0.00 H new ATOM 1597 N ARG A 103 1.163 -8.533 -9.711 1.00 0.00 N ATOM 1598 CA ARG A 103 0.175 -9.018 -8.704 1.00 0.00 C ATOM 1599 C ARG A 103 -0.536 -7.830 -8.051 1.00 0.00 C ATOM 1600 O ARG A 103 -0.170 -7.389 -6.979 1.00 0.00 O ATOM 1601 CB ARG A 103 1.005 -9.779 -7.667 1.00 0.00 C ATOM 1602 CG ARG A 103 1.730 -10.944 -8.345 1.00 0.00 C ATOM 1603 CD ARG A 103 0.706 -11.979 -8.822 1.00 0.00 C ATOM 1604 NE ARG A 103 0.757 -11.915 -10.309 1.00 0.00 N ATOM 1605 CZ ARG A 103 -0.256 -12.337 -11.014 1.00 0.00 C ATOM 1606 NH1 ARG A 103 -1.438 -11.813 -10.838 1.00 0.00 N ATOM 1607 NH2 ARG A 103 -0.089 -13.284 -11.896 1.00 0.00 N ATOM 0 H ARG A 103 1.911 -7.948 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.595 -9.647 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.728 -9.109 -7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.359 -10.152 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.314 -10.580 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 103 2.430 -11.405 -7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.956 -12.977 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.292 -11.747 -8.451 1.00 0.00 H new ATOM 0 HE ARG A 103 1.583 -11.541 -10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.570 -11.073 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.230 -12.144 -11.390 1.00 0.00 H new ATOM 0 HH21 ARG A 103 0.834 -13.695 -12.035 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.882 -13.613 -12.447 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.547 -7.307 -8.692 1.00 0.00 N ATOM 1622 CA LEU A 104 -2.280 -6.145 -8.110 1.00 0.00 C ATOM 1623 C LEU A 104 -3.780 -6.440 -8.041 1.00 0.00 C ATOM 1624 O LEU A 104 -4.247 -7.446 -8.540 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.006 -4.986 -9.069 1.00 0.00 C ATOM 1626 CG LEU A 104 -2.212 -3.656 -8.337 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -1.004 -2.748 -8.575 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -3.474 -2.969 -8.867 1.00 0.00 C ATOM 0 H LEU A 104 -1.897 -7.634 -9.593 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.956 -5.922 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.987 -5.049 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.673 -5.047 -9.929 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.321 -3.846 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.152 -1.802 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.104 -3.234 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.895 -2.560 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.620 -2.023 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.365 -2.781 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.337 -3.613 -8.698 1.00 0.00 H new ATOM 1640 N LYS A 105 -4.537 -5.569 -7.429 1.00 0.00 N ATOM 1641 CA LYS A 105 -6.007 -5.796 -7.326 1.00 0.00 C ATOM 1642 C LYS A 105 -6.766 -4.733 -8.130 1.00 0.00 C ATOM 1643 O LYS A 105 -7.139 -4.958 -9.264 1.00 0.00 O ATOM 1644 CB LYS A 105 -6.321 -5.688 -5.835 1.00 0.00 C ATOM 1645 CG LYS A 105 -5.842 -6.953 -5.119 1.00 0.00 C ATOM 1646 CD LYS A 105 -5.897 -6.735 -3.606 1.00 0.00 C ATOM 1647 CE LYS A 105 -4.819 -7.585 -2.929 1.00 0.00 C ATOM 1648 NZ LYS A 105 -4.549 -6.903 -1.632 1.00 0.00 N ATOM 0 H LYS A 105 -4.200 -4.709 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.308 -6.763 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.832 -4.811 -5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.393 -5.557 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.468 -7.801 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.824 -7.194 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.743 -5.681 -3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.882 -7.005 -3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.163 -8.608 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.918 -7.641 -3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.819 -7.428 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.217 -5.934 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.422 -6.871 -1.068 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.001 -3.573 -7.561 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.735 -2.518 -8.317 1.00 0.00 C ATOM 1664 C TYR A 106 -6.920 -1.215 -8.339 1.00 0.00 C ATOM 1665 O TYR A 106 -6.693 -0.623 -7.304 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.042 -2.315 -7.549 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.002 -1.518 -8.394 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.702 -0.195 -8.738 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.193 -2.102 -8.832 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.594 0.544 -9.523 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.087 -1.364 -9.617 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.787 -0.040 -9.963 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.668 0.687 -10.736 1.00 0.00 O ATOM 0 H TYR A 106 -6.718 -3.317 -6.615 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.910 -2.803 -9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.480 -3.280 -7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.848 -1.795 -6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.782 0.256 -8.397 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.424 -3.123 -8.565 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.362 1.565 -9.789 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.008 -1.815 -9.956 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.316 0.080 -11.152 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.504 -0.800 -9.517 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.715 0.448 -9.645 1.00 0.00 C ATOM 1685 C PRO A 107 -6.549 1.664 -9.237 1.00 0.00 C ATOM 1686 O PRO A 107 -6.999 2.431 -10.067 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.378 0.489 -11.138 1.00 0.00 C ATOM 1688 CG PRO A 107 -5.999 -0.747 -11.818 1.00 0.00 C ATOM 1689 CD PRO A 107 -6.784 -1.546 -10.768 1.00 0.00 C ATOM 0 HA PRO A 107 -4.833 0.469 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.766 1.403 -11.588 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.298 0.497 -11.282 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.659 -0.440 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.219 -1.367 -12.259 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.850 -1.574 -10.993 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.444 -2.580 -10.708 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.748 1.849 -7.964 1.00 0.00 N ATOM 1698 CA VAL A 108 -7.532 3.019 -7.490 1.00 0.00 C ATOM 1699 C VAL A 108 -6.660 3.898 -6.591 1.00 0.00 C ATOM 1700 O VAL A 108 -6.246 3.487 -5.528 1.00 0.00 O ATOM 1701 CB VAL A 108 -8.691 2.418 -6.699 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -8.163 1.621 -5.499 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -9.594 3.545 -6.205 1.00 0.00 C ATOM 0 H VAL A 108 -6.399 1.236 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.883 3.649 -8.307 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.254 1.744 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.002 1.199 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.519 0.816 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.593 2.282 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.425 3.124 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.021 4.216 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.982 4.101 -7.058 1.00 0.00 H new ATOM 1713 N SER A 109 -6.374 5.102 -7.004 1.00 0.00 N ATOM 1714 CA SER A 109 -5.526 5.987 -6.162 1.00 0.00 C ATOM 1715 C SER A 109 -6.356 7.142 -5.617 1.00 0.00 C ATOM 1716 O SER A 109 -7.542 7.007 -5.386 1.00 0.00 O ATOM 1717 CB SER A 109 -4.443 6.496 -7.104 1.00 0.00 C ATOM 1718 OG SER A 109 -3.942 5.404 -7.852 1.00 0.00 O ATOM 0 H SER A 109 -6.690 5.509 -7.884 1.00 0.00 H new ATOM 0 HA SER A 109 -5.105 5.469 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.849 7.256 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.639 6.966 -6.537 1.00 0.00 H new ATOM 0 HG SER A 109 -3.074 5.643 -8.239 1.00 0.00 H new ATOM 1724 N GLN A 110 -5.742 8.276 -5.410 1.00 0.00 N ATOM 1725 CA GLN A 110 -6.485 9.456 -4.881 1.00 0.00 C ATOM 1726 C GLN A 110 -7.863 9.565 -5.543 1.00 0.00 C ATOM 1727 O GLN A 110 -8.858 9.782 -4.885 1.00 0.00 O ATOM 1728 CB GLN A 110 -5.618 10.666 -5.236 1.00 0.00 C ATOM 1729 CG GLN A 110 -5.250 10.626 -6.723 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.917 11.345 -6.939 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -3.820 12.239 -7.755 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -2.877 10.988 -6.234 1.00 0.00 N ATOM 0 H GLN A 110 -4.750 8.436 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.660 9.382 -3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.154 11.588 -5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.713 10.667 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -5.177 9.593 -7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.032 11.102 -7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.959 10.237 -5.549 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.983 11.460 -6.369 1.00 0.00 H new ATOM 1741 N GLN A 111 -7.924 9.387 -6.837 1.00 0.00 N ATOM 1742 CA GLN A 111 -9.233 9.452 -7.556 1.00 0.00 C ATOM 1743 C GLN A 111 -10.067 10.654 -7.103 1.00 0.00 C ATOM 1744 O GLN A 111 -9.595 11.530 -6.405 1.00 0.00 O ATOM 1745 CB GLN A 111 -9.933 8.146 -7.182 1.00 0.00 C ATOM 1746 CG GLN A 111 -9.138 6.965 -7.746 1.00 0.00 C ATOM 1747 CD GLN A 111 -9.920 6.321 -8.894 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -10.673 5.391 -8.685 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -9.769 6.780 -10.107 1.00 0.00 N ATOM 0 H GLN A 111 -7.117 9.198 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.099 9.571 -8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -10.013 8.061 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -10.948 8.138 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.165 7.305 -8.101 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -8.953 6.231 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.137 7.561 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.284 6.358 -10.880 1.00 0.00 H new ATOM 1758 N ASN A 112 -11.312 10.690 -7.497 1.00 0.00 N ATOM 1759 CA ASN A 112 -12.196 11.811 -7.097 1.00 0.00 C ATOM 1760 C ASN A 112 -13.367 11.272 -6.272 1.00 0.00 C ATOM 1761 O ASN A 112 -14.415 11.883 -6.189 1.00 0.00 O ATOM 1762 CB ASN A 112 -12.692 12.420 -8.409 1.00 0.00 C ATOM 1763 CG ASN A 112 -13.378 13.757 -8.124 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -14.590 13.847 -8.142 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -12.651 14.809 -7.860 1.00 0.00 N ATOM 0 H ASN A 112 -11.753 9.982 -8.084 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.682 12.551 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.856 12.567 -9.093 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.388 11.739 -8.898 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.100 15.705 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.634 14.735 -7.844 1.00 0.00 H new ATOM 1772 N LYS A 113 -13.193 10.127 -5.660 1.00 0.00 N ATOM 1773 CA LYS A 113 -14.287 9.531 -4.834 1.00 0.00 C ATOM 1774 C LYS A 113 -15.543 9.329 -5.687 1.00 0.00 C ATOM 1775 O LYS A 113 -15.488 9.332 -6.901 1.00 0.00 O ATOM 1776 CB LYS A 113 -14.559 10.545 -3.713 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.237 11.071 -3.137 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.375 9.901 -2.646 1.00 0.00 C ATOM 1779 CE LYS A 113 -11.023 9.919 -3.363 1.00 0.00 C ATOM 1780 NZ LYS A 113 -10.140 10.746 -2.495 1.00 0.00 N ATOM 0 H LYS A 113 -12.335 9.577 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 113 -14.008 8.556 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -15.151 11.375 -4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -15.146 10.076 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.698 11.636 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.437 11.757 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.227 9.973 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.885 8.957 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.626 8.911 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.111 10.349 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.162 10.695 -2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.463 11.734 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.177 10.387 -1.520 1.00 0.00 H new ATOM 1794 N ASN A 114 -16.674 9.153 -5.059 1.00 0.00 N ATOM 1795 CA ASN A 114 -17.936 8.949 -5.829 1.00 0.00 C ATOM 1796 C ASN A 114 -19.143 9.381 -4.991 1.00 0.00 C ATOM 1797 O ASN A 114 -19.002 10.016 -3.964 1.00 0.00 O ATOM 1798 CB ASN A 114 -17.988 7.446 -6.117 1.00 0.00 C ATOM 1799 CG ASN A 114 -17.983 6.663 -4.800 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -17.830 7.235 -3.738 1.00 0.00 O ATOM 1801 ND2 ASN A 114 -18.142 5.368 -4.825 1.00 0.00 N ATOM 0 H ASN A 114 -16.779 9.142 -4.045 1.00 0.00 H new ATOM 0 HA ASN A 114 -17.961 9.538 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -18.885 7.207 -6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.133 7.154 -6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -18.138 4.837 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -18.270 4.887 -5.715 1.00 0.00 H new ATOM 1808 N ALA A 115 -20.330 9.039 -5.423 1.00 0.00 N ATOM 1809 CA ALA A 115 -21.554 9.425 -4.655 1.00 0.00 C ATOM 1810 C ALA A 115 -21.559 10.935 -4.372 1.00 0.00 C ATOM 1811 O ALA A 115 -21.166 11.359 -3.303 1.00 0.00 O ATOM 1812 CB ALA A 115 -21.473 8.634 -3.348 1.00 0.00 C ATOM 0 H ALA A 115 -20.505 8.508 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 115 -22.468 9.206 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -22.340 8.865 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -21.459 7.567 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -20.563 8.906 -2.814 1.00 0.00 H new ATOM 1818 N PRO A 116 -22.008 11.702 -5.338 1.00 0.00 N ATOM 1819 CA PRO A 116 -22.063 13.174 -5.177 1.00 0.00 C ATOM 1820 C PRO A 116 -22.971 13.555 -4.003 1.00 0.00 C ATOM 1821 O PRO A 116 -22.847 14.621 -3.432 1.00 0.00 O ATOM 1822 CB PRO A 116 -22.660 13.638 -6.509 1.00 0.00 C ATOM 1823 CG PRO A 116 -22.927 12.403 -7.390 1.00 0.00 C ATOM 1824 CD PRO A 116 -22.481 11.147 -6.629 1.00 0.00 C ATOM 0 HA PRO A 116 -21.095 13.626 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -23.586 14.186 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -21.975 14.320 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -23.987 12.338 -7.638 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -22.384 12.487 -8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -23.302 10.444 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -21.689 10.614 -7.155 1.00 0.00 H new ATOM 1832 N SER A 117 -23.886 12.691 -3.638 1.00 0.00 N ATOM 1833 CA SER A 117 -24.807 12.998 -2.501 1.00 0.00 C ATOM 1834 C SER A 117 -25.497 14.348 -2.723 1.00 0.00 C ATOM 1835 O SER A 117 -25.387 14.946 -3.776 1.00 0.00 O ATOM 1836 CB SER A 117 -23.912 13.051 -1.263 1.00 0.00 C ATOM 1837 OG SER A 117 -24.629 12.541 -0.144 1.00 0.00 O ATOM 0 H SER A 117 -24.035 11.784 -4.080 1.00 0.00 H new ATOM 0 HA SER A 117 -25.596 12.252 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 117 -23.008 12.465 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.597 14.077 -1.071 1.00 0.00 H new ATOM 0 HG SER A 117 -24.058 12.572 0.652 1.00 0.00 H new ATOM 1843 N THR A 118 -26.208 14.831 -1.740 1.00 0.00 N ATOM 1844 CA THR A 118 -26.905 16.140 -1.893 1.00 0.00 C ATOM 1845 C THR A 118 -26.400 17.135 -0.845 1.00 0.00 C ATOM 1846 O THR A 118 -26.564 16.861 0.332 1.00 0.00 O ATOM 1847 CB THR A 118 -28.385 15.830 -1.667 1.00 0.00 C ATOM 1848 OG1 THR A 118 -28.527 15.030 -0.501 1.00 0.00 O ATOM 1849 CG2 THR A 118 -28.941 15.075 -2.875 1.00 0.00 C ATOM 0 H THR A 118 -26.336 14.375 -0.837 1.00 0.00 H new ATOM 0 HA THR A 118 -26.727 16.590 -2.870 1.00 0.00 H new ATOM 0 HB THR A 118 -28.936 16.762 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 118 -27.919 15.356 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 118 -29.996 14.855 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 118 -28.832 15.689 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 118 -28.392 14.143 -3.006 1.00 0.00 H new TER 1857 THR A 118