USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 934 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 110 LYS NZ :NH3+ -178:sc= 1.35 (180deg=0.77) USER MOD Set 1.2: A 111 THR OG1 : rot 141:sc= 0.466 USER MOD Set 2.1: A 53 ASN : amide:sc= -0.341 K(o=-1.6,f=-2.9) USER MOD Set 2.2: A 57 THR OG1 : rot -120:sc= -1.26 USER MOD Set 3.1: A 16 MET CE :methyl 162:sc= -0.107 (180deg=-0.563) USER MOD Set 3.2: A 34 TYR OH : rot -57:sc= 1.01 USER MOD Set 4.1: A 7 ASN : amide:sc= 0.546 K(o=0.55,f=-0.92) USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0.00793 USER MOD Single : A 5 MET CE :methyl 159:sc= -0.162 (180deg=-0.846) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.3 F(o=-3.1!,f=-2.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= -0.212 (180deg=-0.737) USER MOD Single : A 24 SER OG : rot -12:sc= 0.626 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.117 K(o=0.12,f=-1.4!) USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00159) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -176:sc= -1.61 (180deg=-1.85!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= -0.209 (180deg=-0.395) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.424 F(o=-1.1,f=-0.42) USER MOD Single : A 69 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-1.3) USER MOD Single : A 70 HIS : no HD1:sc= -0.0245 X(o=-0.024,f=-0.024) USER MOD Single : A 72 ASN : amide:sc= 0.184 K(o=0.18,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ -116:sc= -2.11! (180deg=-2.37!) USER MOD Single : A 78 MET CE :methyl -169:sc= -0.121 (180deg=-0.467) USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0479) USER MOD Single : A 80 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.13) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0.641 K(o=0.64,f=-0.32) USER MOD Single : A 89 GLN : amide:sc= 0.877 K(o=0.88,f=-0.16) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -0.0985 (180deg=-0.464) USER MOD Single : A 100 SER OG : rot 77:sc= 0.901 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -138:sc= -0.112 (180deg=-0.577) USER MOD Single : A 116 MET CE :methyl 169:sc= -1.22 (180deg=-1.71) USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0773) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.11) USER MOD Single : A 123 HIS :FLIP no HD1:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N PRO A 2 -8.374 -13.816 -2.137 1.00 0.00 N ATOM 15 CA PRO A 2 -8.506 -12.382 -1.855 1.00 0.00 C ATOM 16 C PRO A 2 -8.099 -11.962 -0.437 1.00 0.00 C ATOM 17 O PRO A 2 -8.274 -10.801 -0.079 1.00 0.00 O ATOM 18 CB PRO A 2 -10.007 -12.108 -2.065 1.00 0.00 C ATOM 19 CG PRO A 2 -10.592 -13.383 -2.585 1.00 0.00 C ATOM 20 CD PRO A 2 -9.681 -14.478 -2.120 1.00 0.00 C ATOM 0 HA PRO A 2 -7.836 -11.813 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.484 -11.813 -1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.159 -11.292 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.604 -13.531 -2.207 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.658 -13.366 -3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.945 -14.833 -1.124 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.709 -15.342 -2.784 1.00 0.00 H new ATOM 28 N GLU A 3 -7.561 -12.890 0.360 1.00 0.00 N ATOM 29 CA GLU A 3 -7.192 -12.597 1.753 1.00 0.00 C ATOM 30 C GLU A 3 -6.363 -11.315 1.876 1.00 0.00 C ATOM 31 O GLU A 3 -6.849 -10.306 2.381 1.00 0.00 O ATOM 32 CB GLU A 3 -6.419 -13.759 2.392 1.00 0.00 C ATOM 33 CG GLU A 3 -7.270 -14.978 2.720 1.00 0.00 C ATOM 34 CD GLU A 3 -7.531 -15.861 1.521 1.00 0.00 C ATOM 35 OE1 GLU A 3 -8.518 -15.617 0.795 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.749 -16.809 1.299 1.00 0.00 O ATOM 0 H GLU A 3 -7.371 -13.849 0.068 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.132 -12.456 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.619 -14.061 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.946 -13.404 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.772 -15.563 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.223 -14.648 3.134 1.00 0.00 H new ATOM 43 N ILE A 4 -5.116 -11.345 1.413 1.00 0.00 N ATOM 44 CA ILE A 4 -4.272 -10.163 1.483 1.00 0.00 C ATOM 45 C ILE A 4 -4.481 -9.251 0.267 1.00 0.00 C ATOM 46 O ILE A 4 -3.992 -8.121 0.227 1.00 0.00 O ATOM 47 CB ILE A 4 -2.775 -10.535 1.629 1.00 0.00 C ATOM 48 CG1 ILE A 4 -1.974 -9.344 2.171 1.00 0.00 C ATOM 49 CG2 ILE A 4 -2.192 -11.000 0.298 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.485 -8.821 3.497 1.00 0.00 C ATOM 0 H ILE A 4 -4.676 -12.163 0.992 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.571 -9.614 2.376 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.703 -11.359 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.931 -9.640 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.998 -8.537 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.140 -11.254 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.736 -11.877 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.282 -10.201 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.870 -7.980 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.518 -8.493 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.435 -9.613 4.244 1.00 0.00 H new ATOM 62 N MET A 5 -5.214 -9.747 -0.721 1.00 0.00 N ATOM 63 CA MET A 5 -5.447 -9.006 -1.950 1.00 0.00 C ATOM 64 C MET A 5 -6.507 -7.929 -1.745 1.00 0.00 C ATOM 65 O MET A 5 -6.472 -6.877 -2.388 1.00 0.00 O ATOM 66 CB MET A 5 -5.879 -9.961 -3.062 1.00 0.00 C ATOM 67 CG MET A 5 -4.753 -10.834 -3.589 1.00 0.00 C ATOM 68 SD MET A 5 -5.279 -11.894 -4.951 1.00 0.00 S ATOM 69 CE MET A 5 -5.756 -10.667 -6.168 1.00 0.00 C ATOM 0 H MET A 5 -5.659 -10.664 -0.693 1.00 0.00 H new ATOM 0 HA MET A 5 -4.516 -8.518 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.679 -10.601 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 5 -6.293 -9.381 -3.886 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.932 -10.200 -3.923 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.368 -11.453 -2.779 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.746 -11.116 -7.161 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.759 -10.304 -5.945 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.054 -9.834 -6.139 1.00 0.00 H new ATOM 79 N LYS A 6 -7.441 -8.191 -0.845 1.00 0.00 N ATOM 80 CA LYS A 6 -8.508 -7.249 -0.558 1.00 0.00 C ATOM 81 C LYS A 6 -8.032 -6.224 0.468 1.00 0.00 C ATOM 82 O LYS A 6 -8.077 -6.461 1.674 1.00 0.00 O ATOM 83 CB LYS A 6 -9.748 -7.998 -0.062 1.00 0.00 C ATOM 84 CG LYS A 6 -10.988 -7.135 0.063 1.00 0.00 C ATOM 85 CD LYS A 6 -12.221 -7.993 0.283 1.00 0.00 C ATOM 86 CE LYS A 6 -13.471 -7.151 0.441 1.00 0.00 C ATOM 87 NZ LYS A 6 -14.695 -7.989 0.519 1.00 0.00 N ATOM 0 H LYS A 6 -7.481 -9.052 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.779 -6.716 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.959 -8.821 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.527 -8.440 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.870 -6.439 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.112 -6.536 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.345 -8.674 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.082 -8.608 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.388 -6.544 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.555 -6.463 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.529 -7.377 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.788 -8.550 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.627 -8.628 1.337 1.00 0.00 H new ATOM 101 N ASN A 7 -7.551 -5.096 -0.035 1.00 0.00 N ATOM 102 CA ASN A 7 -6.942 -4.068 0.799 1.00 0.00 C ATOM 103 C ASN A 7 -7.994 -3.339 1.633 1.00 0.00 C ATOM 104 O ASN A 7 -8.864 -2.654 1.094 1.00 0.00 O ATOM 105 CB ASN A 7 -6.172 -3.086 -0.090 1.00 0.00 C ATOM 106 CG ASN A 7 -5.311 -2.120 0.698 1.00 0.00 C ATOM 107 OD1 ASN A 7 -4.890 -2.415 1.817 1.00 0.00 O ATOM 108 ND2 ASN A 7 -5.027 -0.969 0.110 1.00 0.00 N ATOM 0 H ASN A 7 -7.571 -4.867 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.249 -4.541 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.541 -3.647 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.881 -2.521 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.438 -0.285 0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.397 -0.766 -0.818 1.00 0.00 H new ATOM 115 N LEU A 8 -7.898 -3.484 2.952 1.00 0.00 N ATOM 116 CA LEU A 8 -8.903 -2.950 3.873 1.00 0.00 C ATOM 117 C LEU A 8 -9.072 -1.440 3.735 1.00 0.00 C ATOM 118 O LEU A 8 -10.185 -0.929 3.831 1.00 0.00 O ATOM 119 CB LEU A 8 -8.566 -3.290 5.329 1.00 0.00 C ATOM 120 CG LEU A 8 -8.606 -4.777 5.685 1.00 0.00 C ATOM 121 CD1 LEU A 8 -7.292 -5.460 5.334 1.00 0.00 C ATOM 122 CD2 LEU A 8 -8.929 -4.957 7.160 1.00 0.00 C ATOM 0 H LEU A 8 -7.129 -3.971 3.412 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.844 -3.427 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.570 -2.908 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.263 -2.760 5.978 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.393 -5.248 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.349 -6.516 5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.106 -5.363 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.479 -4.991 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.954 -6.020 7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.164 -4.467 7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.901 -4.513 7.377 1.00 0.00 H new ATOM 134 N SER A 9 -7.980 -0.726 3.510 1.00 0.00 N ATOM 135 CA SER A 9 -8.052 0.721 3.353 1.00 0.00 C ATOM 136 C SER A 9 -8.843 1.097 2.097 1.00 0.00 C ATOM 137 O SER A 9 -9.480 2.153 2.045 1.00 0.00 O ATOM 138 CB SER A 9 -6.646 1.321 3.320 1.00 0.00 C ATOM 139 OG SER A 9 -5.779 0.563 2.499 1.00 0.00 O ATOM 0 H SER A 9 -7.042 -1.118 3.432 1.00 0.00 H new ATOM 0 HA SER A 9 -8.581 1.136 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.695 2.346 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.244 1.365 4.332 1.00 0.00 H new ATOM 0 HG SER A 9 -4.889 0.973 2.497 1.00 0.00 H new ATOM 145 N ASN A 10 -8.811 0.214 1.101 1.00 0.00 N ATOM 146 CA ASN A 10 -9.587 0.396 -0.122 1.00 0.00 C ATOM 147 C ASN A 10 -11.057 0.073 0.142 1.00 0.00 C ATOM 148 O ASN A 10 -11.953 0.596 -0.523 1.00 0.00 O ATOM 149 CB ASN A 10 -9.030 -0.488 -1.246 1.00 0.00 C ATOM 150 CG ASN A 10 -9.697 -0.233 -2.588 1.00 0.00 C ATOM 151 OD1 ASN A 10 -9.312 0.679 -3.318 1.00 0.00 O ATOM 152 ND2 ASN A 10 -10.674 -1.055 -2.939 1.00 0.00 N ATOM 0 H ASN A 10 -8.252 -0.639 1.118 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.510 1.436 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.958 -0.314 -1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.160 -1.536 -0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.135 -0.943 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.966 -1.800 -2.306 1.00 0.00 H new ATOM 159 N ASN A 11 -11.296 -0.786 1.134 1.00 0.00 N ATOM 160 CA ASN A 11 -12.657 -1.084 1.575 1.00 0.00 C ATOM 161 C ASN A 11 -13.261 0.157 2.209 1.00 0.00 C ATOM 162 O ASN A 11 -14.415 0.498 1.947 1.00 0.00 O ATOM 163 CB ASN A 11 -12.678 -2.227 2.598 1.00 0.00 C ATOM 164 CG ASN A 11 -12.352 -3.586 2.005 1.00 0.00 C ATOM 165 OD1 ASN A 11 -12.877 -4.635 2.620 1.00 0.00 O flip ATOM 166 ND2 ASN A 11 -11.639 -3.698 1.011 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.568 -1.285 1.645 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.236 -1.391 0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.963 -2.006 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.664 -2.270 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.252 -2.866 0.564 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.434 -4.623 0.632 1.00 0.00 H new ATOM 173 N PHE A 12 -12.480 0.805 3.069 1.00 0.00 N ATOM 174 CA PHE A 12 -12.849 2.113 3.614 1.00 0.00 C ATOM 175 C PHE A 12 -13.133 3.124 2.497 1.00 0.00 C ATOM 176 O PHE A 12 -14.288 3.311 2.122 1.00 0.00 O ATOM 177 CB PHE A 12 -11.760 2.651 4.547 1.00 0.00 C ATOM 178 CG PHE A 12 -11.631 1.889 5.833 1.00 0.00 C ATOM 179 CD1 PHE A 12 -12.620 1.967 6.800 1.00 0.00 C ATOM 180 CD2 PHE A 12 -10.524 1.094 6.076 1.00 0.00 C ATOM 181 CE1 PHE A 12 -12.507 1.265 7.985 1.00 0.00 C ATOM 182 CE2 PHE A 12 -10.406 0.390 7.258 1.00 0.00 C ATOM 183 CZ PHE A 12 -11.398 0.476 8.214 1.00 0.00 C ATOM 0 H PHE A 12 -11.586 0.447 3.405 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.763 1.975 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.804 2.628 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.974 3.695 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.489 2.584 6.626 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.744 1.024 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.285 1.334 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.538 -0.228 7.434 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.307 -0.073 9.139 1.00 0.00 H new ATOM 193 N GLY A 13 -12.080 3.772 1.967 1.00 0.00 N ATOM 194 CA GLY A 13 -12.254 4.754 0.903 1.00 0.00 C ATOM 195 C GLY A 13 -13.351 5.769 1.182 1.00 0.00 C ATOM 196 O GLY A 13 -14.069 6.173 0.269 1.00 0.00 O ATOM 0 H GLY A 13 -11.113 3.630 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.313 5.282 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.481 4.233 -0.027 1.00 0.00 H new ATOM 200 N LYS A 14 -13.488 6.176 2.443 1.00 0.00 N ATOM 201 CA LYS A 14 -14.541 7.103 2.841 1.00 0.00 C ATOM 202 C LYS A 14 -14.327 8.477 2.212 1.00 0.00 C ATOM 203 O LYS A 14 -15.280 9.141 1.811 1.00 0.00 O ATOM 204 CB LYS A 14 -14.604 7.215 4.365 1.00 0.00 C ATOM 205 CG LYS A 14 -14.696 5.867 5.067 1.00 0.00 C ATOM 206 CD LYS A 14 -14.932 6.020 6.562 1.00 0.00 C ATOM 207 CE LYS A 14 -16.342 6.502 6.858 1.00 0.00 C ATOM 208 NZ LYS A 14 -16.592 6.627 8.319 1.00 0.00 N ATOM 0 H LYS A 14 -12.881 5.877 3.206 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.492 6.712 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.718 7.742 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.467 7.820 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.507 5.285 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.776 5.307 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.762 5.064 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.211 6.726 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.503 7.467 6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.061 5.807 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.565 6.958 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.463 5.701 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.923 7.310 8.729 1.00 0.00 H new ATOM 222 N ALA A 15 -13.070 8.890 2.121 1.00 0.00 N ATOM 223 CA ALA A 15 -12.720 10.149 1.478 1.00 0.00 C ATOM 224 C ALA A 15 -11.399 10.002 0.740 1.00 0.00 C ATOM 225 O ALA A 15 -10.324 10.174 1.319 1.00 0.00 O ATOM 226 CB ALA A 15 -12.646 11.277 2.493 1.00 0.00 C ATOM 0 H ALA A 15 -12.273 8.369 2.486 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.500 10.401 0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.383 12.206 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.614 11.391 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.888 11.044 3.241 1.00 0.00 H new ATOM 232 N MET A 16 -11.489 9.653 -0.532 1.00 0.00 N ATOM 233 CA MET A 16 -10.313 9.379 -1.345 1.00 0.00 C ATOM 234 C MET A 16 -9.548 10.666 -1.653 1.00 0.00 C ATOM 235 O MET A 16 -8.316 10.668 -1.724 1.00 0.00 O ATOM 236 CB MET A 16 -10.737 8.683 -2.639 1.00 0.00 C ATOM 237 CG MET A 16 -9.581 8.128 -3.452 1.00 0.00 C ATOM 238 SD MET A 16 -10.139 7.201 -4.896 1.00 0.00 S ATOM 239 CE MET A 16 -10.983 8.487 -5.814 1.00 0.00 C ATOM 0 H MET A 16 -12.374 9.552 -1.030 1.00 0.00 H new ATOM 0 HA MET A 16 -9.646 8.723 -0.787 1.00 0.00 H new ATOM 0 HB2 MET A 16 -11.419 7.869 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 16 -11.293 9.391 -3.254 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.941 8.949 -3.776 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.974 7.480 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.104 8.174 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.963 8.666 -5.372 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.396 9.405 -5.778 1.00 0.00 H new ATOM 249 N ASP A 17 -10.292 11.762 -1.789 1.00 0.00 N ATOM 250 CA ASP A 17 -9.720 13.069 -2.129 1.00 0.00 C ATOM 251 C ASP A 17 -8.675 13.514 -1.121 1.00 0.00 C ATOM 252 O ASP A 17 -7.714 14.202 -1.466 1.00 0.00 O ATOM 253 CB ASP A 17 -10.831 14.116 -2.207 1.00 0.00 C ATOM 254 CG ASP A 17 -10.308 15.507 -2.515 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.928 15.764 -3.680 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.294 16.358 -1.602 1.00 0.00 O ATOM 0 H ASP A 17 -11.305 11.772 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.229 12.969 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.546 13.823 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.371 14.137 -1.260 1.00 0.00 H new ATOM 261 N GLN A 18 -8.829 13.079 0.113 1.00 0.00 N ATOM 262 CA GLN A 18 -7.975 13.572 1.175 1.00 0.00 C ATOM 263 C GLN A 18 -6.718 12.730 1.293 1.00 0.00 C ATOM 264 O GLN A 18 -5.701 13.191 1.809 1.00 0.00 O ATOM 265 CB GLN A 18 -8.726 13.644 2.501 1.00 0.00 C ATOM 266 CG GLN A 18 -9.730 14.786 2.549 1.00 0.00 C ATOM 267 CD GLN A 18 -10.015 15.243 3.964 1.00 0.00 C ATOM 268 OE1 GLN A 18 -9.957 14.455 4.909 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.320 16.519 4.125 1.00 0.00 N ATOM 0 H GLN A 18 -9.527 12.395 0.403 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.672 14.587 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.247 12.701 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.009 13.762 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.349 15.626 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.660 14.469 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.358 17.140 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.517 16.882 5.057 1.00 0.00 H new ATOM 278 N CYS A 19 -6.773 11.509 0.786 1.00 0.00 N ATOM 279 CA CYS A 19 -5.578 10.691 0.703 1.00 0.00 C ATOM 280 C CYS A 19 -4.703 11.205 -0.439 1.00 0.00 C ATOM 281 O CYS A 19 -3.478 11.245 -0.332 1.00 0.00 O ATOM 282 CB CYS A 19 -5.932 9.210 0.504 1.00 0.00 C ATOM 283 SG CYS A 19 -4.494 8.133 0.218 1.00 0.00 S ATOM 0 H CYS A 19 -7.621 11.068 0.430 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.027 10.764 1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.469 8.855 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.613 9.121 -0.343 1.00 0.00 H new ATOM 288 N LYS A 20 -5.355 11.653 -1.512 1.00 0.00 N ATOM 289 CA LYS A 20 -4.675 12.209 -2.664 1.00 0.00 C ATOM 290 C LYS A 20 -3.927 13.479 -2.277 1.00 0.00 C ATOM 291 O LYS A 20 -2.765 13.661 -2.639 1.00 0.00 O ATOM 292 CB LYS A 20 -5.709 12.501 -3.749 1.00 0.00 C ATOM 293 CG LYS A 20 -5.249 12.114 -5.137 1.00 0.00 C ATOM 294 CD LYS A 20 -4.073 12.953 -5.582 1.00 0.00 C ATOM 295 CE LYS A 20 -4.499 14.365 -5.958 1.00 0.00 C ATOM 296 NZ LYS A 20 -5.546 14.370 -7.014 1.00 0.00 N ATOM 0 H LYS A 20 -6.371 11.637 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.944 11.494 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.629 11.965 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.947 13.565 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.971 11.060 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.072 12.235 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.334 12.997 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.590 12.479 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.875 14.878 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.631 14.925 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.545 15.290 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.349 13.615 -7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.477 14.209 -6.580 1.00 0.00 H new ATOM 310 N ASP A 21 -4.594 14.345 -1.527 1.00 0.00 N ATOM 311 CA ASP A 21 -4.005 15.614 -1.111 1.00 0.00 C ATOM 312 C ASP A 21 -2.901 15.416 -0.071 1.00 0.00 C ATOM 313 O ASP A 21 -1.803 15.963 -0.213 1.00 0.00 O ATOM 314 CB ASP A 21 -5.089 16.545 -0.559 1.00 0.00 C ATOM 315 CG ASP A 21 -4.513 17.759 0.144 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.912 18.618 -0.536 1.00 0.00 O ATOM 317 OD2 ASP A 21 -4.664 17.861 1.379 1.00 0.00 O ATOM 0 H ASP A 21 -5.546 14.193 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.551 16.070 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.731 16.874 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.718 15.991 0.138 1.00 0.00 H new ATOM 322 N GLU A 22 -3.178 14.614 0.949 1.00 0.00 N ATOM 323 CA GLU A 22 -2.240 14.428 2.052 1.00 0.00 C ATOM 324 C GLU A 22 -0.975 13.683 1.608 1.00 0.00 C ATOM 325 O GLU A 22 0.131 14.039 2.010 1.00 0.00 O ATOM 326 CB GLU A 22 -2.937 13.704 3.203 1.00 0.00 C ATOM 327 CG GLU A 22 -2.041 13.410 4.392 1.00 0.00 C ATOM 328 CD GLU A 22 -1.347 14.641 4.930 1.00 0.00 C ATOM 329 OE1 GLU A 22 -1.961 15.726 4.937 1.00 0.00 O ATOM 330 OE2 GLU A 22 -0.189 14.513 5.372 1.00 0.00 O ATOM 0 H GLU A 22 -4.044 14.082 1.037 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.917 15.410 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.780 14.308 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.346 12.765 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.637 12.960 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.291 12.675 4.101 1.00 0.00 H new ATOM 337 N LEU A 23 -1.133 12.664 0.770 1.00 0.00 N ATOM 338 CA LEU A 23 0.026 11.940 0.230 1.00 0.00 C ATOM 339 C LEU A 23 0.649 12.758 -0.878 1.00 0.00 C ATOM 340 O LEU A 23 1.822 12.588 -1.218 1.00 0.00 O ATOM 341 CB LEU A 23 -0.376 10.577 -0.343 1.00 0.00 C ATOM 342 CG LEU A 23 -0.557 9.433 0.653 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.782 8.850 1.072 1.00 0.00 C ATOM 344 CD2 LEU A 23 -1.343 9.902 1.848 1.00 0.00 C ATOM 0 H LEU A 23 -2.038 12.319 0.449 1.00 0.00 H new ATOM 0 HA LEU A 23 0.731 11.781 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.311 10.702 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.380 10.278 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.118 8.638 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.620 8.038 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.303 8.467 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.386 9.626 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.465 9.077 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.811 10.718 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.324 10.251 1.524 1.00 0.00 H new ATOM 356 N SER A 24 -0.166 13.651 -1.423 1.00 0.00 N ATOM 357 CA SER A 24 0.233 14.508 -2.518 1.00 0.00 C ATOM 358 C SER A 24 0.594 13.661 -3.733 1.00 0.00 C ATOM 359 O SER A 24 1.645 13.844 -4.349 1.00 0.00 O ATOM 360 CB SER A 24 1.397 15.397 -2.081 1.00 0.00 C ATOM 361 OG SER A 24 1.048 16.128 -0.912 1.00 0.00 O ATOM 0 H SER A 24 -1.126 13.798 -1.112 1.00 0.00 H new ATOM 0 HA SER A 24 -0.596 15.158 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.278 14.785 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.659 16.086 -2.884 1.00 0.00 H new ATOM 0 HG SER A 24 0.083 16.057 -0.758 1.00 0.00 H new ATOM 367 N LEU A 25 -0.291 12.712 -4.055 1.00 0.00 N ATOM 368 CA LEU A 25 -0.102 11.859 -5.222 1.00 0.00 C ATOM 369 C LEU A 25 -0.074 12.697 -6.491 1.00 0.00 C ATOM 370 O LEU A 25 -0.974 13.508 -6.719 1.00 0.00 O ATOM 371 CB LEU A 25 -1.217 10.806 -5.368 1.00 0.00 C ATOM 372 CG LEU A 25 -1.285 9.715 -4.296 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.095 9.327 -3.826 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.135 10.156 -3.128 1.00 0.00 C ATOM 0 H LEU A 25 -1.140 12.519 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 25 0.848 11.344 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.175 11.326 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.101 10.322 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.750 8.838 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.015 8.551 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.674 8.951 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.594 10.199 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.167 9.363 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.706 11.055 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.146 10.369 -3.474 1.00 0.00 H new ATOM 386 N PRO A 26 0.952 12.528 -7.332 1.00 0.00 N ATOM 387 CA PRO A 26 0.966 13.132 -8.657 1.00 0.00 C ATOM 388 C PRO A 26 -0.122 12.508 -9.516 1.00 0.00 C ATOM 389 O PRO A 26 -0.466 11.334 -9.328 1.00 0.00 O ATOM 390 CB PRO A 26 2.357 12.795 -9.213 1.00 0.00 C ATOM 391 CG PRO A 26 3.152 12.339 -8.039 1.00 0.00 C ATOM 392 CD PRO A 26 2.166 11.743 -7.081 1.00 0.00 C ATOM 0 HA PRO A 26 0.780 14.206 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.298 12.017 -9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.814 13.666 -9.683 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.901 11.605 -8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.686 13.172 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.008 10.682 -7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.500 11.835 -6.048 1.00 0.00 H new ATOM 400 N ASP A 27 -0.663 13.274 -10.451 1.00 0.00 N ATOM 401 CA ASP A 27 -1.780 12.802 -11.259 1.00 0.00 C ATOM 402 C ASP A 27 -1.389 11.567 -12.062 1.00 0.00 C ATOM 403 O ASP A 27 -2.215 10.680 -12.288 1.00 0.00 O ATOM 404 CB ASP A 27 -2.310 13.906 -12.180 1.00 0.00 C ATOM 405 CG ASP A 27 -1.283 14.396 -13.178 1.00 0.00 C ATOM 406 OD1 ASP A 27 -0.424 15.217 -12.791 1.00 0.00 O ATOM 407 OD2 ASP A 27 -1.332 13.970 -14.351 1.00 0.00 O ATOM 0 H ASP A 27 -0.350 14.220 -10.669 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.584 12.524 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.181 13.533 -12.719 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.646 14.746 -11.573 1.00 0.00 H new ATOM 412 N SER A 28 -0.122 11.486 -12.449 1.00 0.00 N ATOM 413 CA SER A 28 0.378 10.333 -13.181 1.00 0.00 C ATOM 414 C SER A 28 0.354 9.081 -12.304 1.00 0.00 C ATOM 415 O SER A 28 -0.123 8.026 -12.722 1.00 0.00 O ATOM 416 CB SER A 28 1.796 10.606 -13.681 1.00 0.00 C ATOM 417 OG SER A 28 1.838 11.794 -14.456 1.00 0.00 O ATOM 0 H SER A 28 0.577 12.206 -12.267 1.00 0.00 H new ATOM 0 HA SER A 28 -0.272 10.159 -14.038 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.474 10.696 -12.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.144 9.764 -14.279 1.00 0.00 H new ATOM 0 HG SER A 28 2.755 11.951 -14.765 1.00 0.00 H new ATOM 423 N VAL A 29 0.839 9.216 -11.071 1.00 0.00 N ATOM 424 CA VAL A 29 0.944 8.078 -10.173 1.00 0.00 C ATOM 425 C VAL A 29 -0.422 7.619 -9.688 1.00 0.00 C ATOM 426 O VAL A 29 -0.754 6.445 -9.812 1.00 0.00 O ATOM 427 CB VAL A 29 1.822 8.379 -8.952 1.00 0.00 C ATOM 428 CG1 VAL A 29 2.001 7.114 -8.127 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.167 8.938 -9.384 1.00 0.00 C ATOM 0 H VAL A 29 1.163 10.099 -10.677 1.00 0.00 H new ATOM 0 HA VAL A 29 1.411 7.284 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 29 1.330 9.133 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.625 7.330 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.027 6.757 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.479 6.347 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.775 9.145 -8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.678 8.210 -10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.015 9.860 -9.944 1.00 0.00 H new ATOM 439 N VAL A 30 -1.217 8.540 -9.144 1.00 0.00 N ATOM 440 CA VAL A 30 -2.500 8.170 -8.572 1.00 0.00 C ATOM 441 C VAL A 30 -3.404 7.534 -9.628 1.00 0.00 C ATOM 442 O VAL A 30 -4.141 6.592 -9.340 1.00 0.00 O ATOM 443 CB VAL A 30 -3.189 9.352 -7.881 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.798 10.301 -8.871 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.232 8.858 -6.890 1.00 0.00 C ATOM 0 H VAL A 30 -0.995 9.534 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.308 7.426 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.424 9.904 -7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.276 11.124 -8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.019 10.694 -9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.542 9.775 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.710 9.711 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.984 8.269 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.750 8.239 -6.133 1.00 0.00 H new ATOM 455 N ALA A 31 -3.298 8.017 -10.865 1.00 0.00 N ATOM 456 CA ALA A 31 -4.070 7.470 -11.971 1.00 0.00 C ATOM 457 C ALA A 31 -3.666 6.036 -12.269 1.00 0.00 C ATOM 458 O ALA A 31 -4.511 5.144 -12.350 1.00 0.00 O ATOM 459 CB ALA A 31 -3.851 8.304 -13.210 1.00 0.00 C ATOM 0 H ALA A 31 -2.682 8.788 -11.123 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.121 7.487 -11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.431 7.890 -14.035 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.171 9.329 -13.020 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.793 8.297 -13.471 1.00 0.00 H new ATOM 465 N ASP A 32 -2.370 5.821 -12.436 1.00 0.00 N ATOM 466 CA ASP A 32 -1.865 4.506 -12.797 1.00 0.00 C ATOM 467 C ASP A 32 -2.026 3.535 -11.638 1.00 0.00 C ATOM 468 O ASP A 32 -2.358 2.370 -11.839 1.00 0.00 O ATOM 469 CB ASP A 32 -0.398 4.595 -13.214 1.00 0.00 C ATOM 470 CG ASP A 32 0.153 3.264 -13.684 1.00 0.00 C ATOM 471 OD1 ASP A 32 -0.202 2.832 -14.804 1.00 0.00 O ATOM 472 OD2 ASP A 32 0.948 2.650 -12.948 1.00 0.00 O ATOM 0 H ASP A 32 -1.652 6.537 -12.328 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.446 4.135 -13.642 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.294 5.330 -14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.195 4.953 -12.372 1.00 0.00 H new ATOM 477 N LEU A 33 -1.821 4.029 -10.424 1.00 0.00 N ATOM 478 CA LEU A 33 -2.001 3.195 -9.237 1.00 0.00 C ATOM 479 C LEU A 33 -3.441 2.674 -9.159 1.00 0.00 C ATOM 480 O LEU A 33 -3.683 1.589 -8.633 1.00 0.00 O ATOM 481 CB LEU A 33 -1.542 3.905 -7.931 1.00 0.00 C ATOM 482 CG LEU A 33 -2.447 4.987 -7.299 1.00 0.00 C ATOM 483 CD1 LEU A 33 -3.661 4.371 -6.634 1.00 0.00 C ATOM 484 CD2 LEU A 33 -1.652 5.795 -6.285 1.00 0.00 C ATOM 0 H LEU A 33 -1.534 4.989 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.345 2.330 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.380 3.133 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.574 4.364 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.798 5.644 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.277 5.159 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.243 3.823 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.338 3.688 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.294 6.556 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.281 5.133 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.810 6.276 -6.783 1.00 0.00 H new ATOM 496 N TYR A 34 -4.396 3.454 -9.678 1.00 0.00 N ATOM 497 CA TYR A 34 -5.798 3.006 -9.774 1.00 0.00 C ATOM 498 C TYR A 34 -6.036 1.769 -10.686 1.00 0.00 C ATOM 499 O TYR A 34 -7.196 1.466 -10.964 1.00 0.00 O ATOM 500 CB TYR A 34 -6.698 4.145 -10.272 1.00 0.00 C ATOM 501 CG TYR A 34 -6.931 5.251 -9.269 1.00 0.00 C ATOM 502 CD1 TYR A 34 -6.969 4.989 -7.907 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.111 6.565 -9.689 1.00 0.00 C ATOM 504 CE1 TYR A 34 -7.180 6.003 -6.991 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.320 7.583 -8.780 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.354 7.297 -7.433 1.00 0.00 C ATOM 507 OH TYR A 34 -7.558 8.308 -6.523 1.00 0.00 O ATOM 0 H TYR A 34 -4.229 4.394 -10.037 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.052 2.705 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.253 4.575 -11.170 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.662 3.727 -10.562 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.832 3.977 -7.557 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.087 6.793 -10.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.208 5.782 -5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.456 8.598 -9.123 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.339 8.097 -5.969 1.00 0.00 H new ATOM 517 N ASN A 35 -4.993 1.062 -11.165 1.00 0.00 N ATOM 518 CA ASN A 35 -5.197 -0.081 -12.062 1.00 0.00 C ATOM 519 C ASN A 35 -6.120 -1.122 -11.435 1.00 0.00 C ATOM 520 O ASN A 35 -5.749 -1.804 -10.479 1.00 0.00 O ATOM 521 CB ASN A 35 -3.859 -0.735 -12.436 1.00 0.00 C ATOM 522 CG ASN A 35 -3.102 0.038 -13.499 1.00 0.00 C ATOM 523 OD1 ASN A 35 -3.703 0.679 -14.362 1.00 0.00 O ATOM 524 ND2 ASN A 35 -1.778 -0.008 -13.441 1.00 0.00 N ATOM 0 H ASN A 35 -4.017 1.262 -10.947 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.668 0.302 -12.967 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.239 -0.818 -11.543 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.043 -1.749 -12.792 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.220 0.499 -14.127 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.318 -0.551 -12.710 1.00 0.00 H new ATOM 531 N PHE A 36 -7.322 -1.236 -11.989 1.00 0.00 N ATOM 532 CA PHE A 36 -8.335 -2.154 -11.475 1.00 0.00 C ATOM 533 C PHE A 36 -8.026 -3.593 -11.878 1.00 0.00 C ATOM 534 O PHE A 36 -8.588 -4.540 -11.329 1.00 0.00 O ATOM 535 CB PHE A 36 -9.719 -1.758 -12.001 1.00 0.00 C ATOM 536 CG PHE A 36 -10.096 -0.332 -11.709 1.00 0.00 C ATOM 537 CD1 PHE A 36 -10.646 0.021 -10.486 1.00 0.00 C ATOM 538 CD2 PHE A 36 -9.902 0.657 -12.661 1.00 0.00 C ATOM 539 CE1 PHE A 36 -10.993 1.332 -10.219 1.00 0.00 C ATOM 540 CE2 PHE A 36 -10.246 1.969 -12.399 1.00 0.00 C ATOM 541 CZ PHE A 36 -10.793 2.308 -11.176 1.00 0.00 C ATOM 0 H PHE A 36 -7.622 -0.699 -12.802 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.327 -2.090 -10.387 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.747 -1.917 -13.079 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.467 -2.419 -11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.805 -0.737 -9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.477 0.398 -13.619 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.420 1.593 -9.262 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.088 2.729 -13.149 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.063 3.333 -10.969 1.00 0.00 H new ATOM 551 N TRP A 37 -7.128 -3.742 -12.839 1.00 0.00 N ATOM 552 CA TRP A 37 -6.751 -5.053 -13.350 1.00 0.00 C ATOM 553 C TRP A 37 -5.607 -5.630 -12.524 1.00 0.00 C ATOM 554 O TRP A 37 -4.869 -4.884 -11.879 1.00 0.00 O ATOM 555 CB TRP A 37 -6.316 -4.930 -14.815 1.00 0.00 C ATOM 556 CG TRP A 37 -7.297 -4.186 -15.672 1.00 0.00 C ATOM 557 CD1 TRP A 37 -8.318 -4.721 -16.399 1.00 0.00 C ATOM 558 CD2 TRP A 37 -7.344 -2.769 -15.894 1.00 0.00 C ATOM 559 NE1 TRP A 37 -9.001 -3.726 -17.056 1.00 0.00 N ATOM 560 CE2 TRP A 37 -8.424 -2.518 -16.760 1.00 0.00 C ATOM 561 CE3 TRP A 37 -6.582 -1.688 -15.440 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -8.757 -1.234 -17.183 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -6.913 -0.414 -15.860 1.00 0.00 C ATOM 564 CH2 TRP A 37 -7.994 -0.195 -16.723 1.00 0.00 C ATOM 0 H TRP A 37 -6.642 -2.964 -13.285 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.610 -5.720 -13.280 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.352 -4.424 -14.858 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.170 -5.928 -15.227 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.556 -5.773 -16.451 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -9.807 -3.864 -17.666 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.748 -1.846 -14.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.588 -1.064 -17.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.328 0.427 -15.517 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.230 0.813 -17.031 1.00 0.00 H new ATOM 575 N LYS A 38 -5.445 -6.950 -12.550 1.00 0.00 N ATOM 576 CA LYS A 38 -4.316 -7.580 -11.870 1.00 0.00 C ATOM 577 C LYS A 38 -3.106 -7.619 -12.797 1.00 0.00 C ATOM 578 O LYS A 38 -2.515 -8.672 -13.050 1.00 0.00 O ATOM 579 CB LYS A 38 -4.660 -8.989 -11.360 1.00 0.00 C ATOM 580 CG LYS A 38 -5.228 -9.936 -12.407 1.00 0.00 C ATOM 581 CD LYS A 38 -5.403 -11.336 -11.838 1.00 0.00 C ATOM 582 CE LYS A 38 -6.163 -12.244 -12.791 1.00 0.00 C ATOM 583 NZ LYS A 38 -7.621 -11.955 -12.788 1.00 0.00 N ATOM 0 H LYS A 38 -6.072 -7.598 -13.028 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.076 -6.977 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.759 -9.436 -10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.380 -8.898 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.189 -9.560 -12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.563 -9.971 -13.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.424 -11.768 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.936 -11.278 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.771 -12.121 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.999 -13.284 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.105 -12.607 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.998 -12.081 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.781 -10.975 -13.097 1.00 0.00 H new ATOM 597 N ASP A 39 -2.775 -6.439 -13.307 1.00 0.00 N ATOM 598 CA ASP A 39 -1.609 -6.230 -14.172 1.00 0.00 C ATOM 599 C ASP A 39 -0.337 -6.967 -13.694 1.00 0.00 C ATOM 600 O ASP A 39 0.335 -7.601 -14.510 1.00 0.00 O ATOM 601 CB ASP A 39 -1.326 -4.728 -14.268 1.00 0.00 C ATOM 602 CG ASP A 39 -0.406 -4.367 -15.417 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.828 -4.469 -15.263 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.917 -3.967 -16.483 1.00 0.00 O ATOM 0 H ASP A 39 -3.311 -5.589 -13.133 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.857 -6.651 -15.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.269 -4.194 -14.384 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.880 -4.388 -13.333 1.00 0.00 H new ATOM 609 N ASP A 40 -0.014 -6.899 -12.388 1.00 0.00 N ATOM 610 CA ASP A 40 1.225 -7.462 -11.852 1.00 0.00 C ATOM 611 C ASP A 40 2.421 -6.750 -12.461 1.00 0.00 C ATOM 612 O ASP A 40 3.140 -7.296 -13.302 1.00 0.00 O ATOM 613 CB ASP A 40 1.320 -8.976 -12.073 1.00 0.00 C ATOM 614 CG ASP A 40 2.436 -9.608 -11.260 1.00 0.00 C ATOM 615 OD1 ASP A 40 2.262 -9.766 -10.032 1.00 0.00 O ATOM 616 OD2 ASP A 40 3.486 -9.964 -11.837 1.00 0.00 O ATOM 0 H ASP A 40 -0.605 -6.454 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 40 1.223 -7.303 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.371 -9.440 -11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.486 -9.177 -13.131 1.00 0.00 H new ATOM 621 N TYR A 41 2.592 -5.505 -12.059 1.00 0.00 N ATOM 622 CA TYR A 41 3.674 -4.669 -12.547 1.00 0.00 C ATOM 623 C TYR A 41 4.694 -4.434 -11.449 1.00 0.00 C ATOM 624 O TYR A 41 4.410 -4.659 -10.269 1.00 0.00 O ATOM 625 CB TYR A 41 3.121 -3.331 -13.053 1.00 0.00 C ATOM 626 CG TYR A 41 2.096 -2.701 -12.127 1.00 0.00 C ATOM 627 CD1 TYR A 41 2.483 -1.927 -11.039 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.737 -2.888 -12.345 1.00 0.00 C ATOM 629 CE1 TYR A 41 1.542 -1.360 -10.198 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.206 -2.325 -11.508 1.00 0.00 C ATOM 631 CZ TYR A 41 0.201 -1.563 -10.437 1.00 0.00 C ATOM 632 OH TYR A 41 -0.735 -0.996 -9.602 1.00 0.00 O ATOM 0 H TYR A 41 1.983 -5.043 -11.383 1.00 0.00 H new ATOM 0 HA TYR A 41 4.165 -5.181 -13.374 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.949 -2.635 -13.190 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.667 -3.483 -14.032 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.534 -1.766 -10.847 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.412 -3.485 -13.184 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.858 -0.760 -9.357 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.258 -2.482 -11.693 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.635 -1.235 -9.909 1.00 0.00 H new ATOM 642 N VAL A 42 5.873 -3.975 -11.830 1.00 0.00 N ATOM 643 CA VAL A 42 6.900 -3.655 -10.859 1.00 0.00 C ATOM 644 C VAL A 42 6.670 -2.248 -10.335 1.00 0.00 C ATOM 645 O VAL A 42 6.762 -1.273 -11.082 1.00 0.00 O ATOM 646 CB VAL A 42 8.321 -3.756 -11.455 1.00 0.00 C ATOM 647 CG1 VAL A 42 9.377 -3.546 -10.377 1.00 0.00 C ATOM 648 CG2 VAL A 42 8.519 -5.095 -12.150 1.00 0.00 C ATOM 0 H VAL A 42 6.141 -3.817 -12.801 1.00 0.00 H new ATOM 0 HA VAL A 42 6.832 -4.383 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 42 8.434 -2.966 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.370 -3.622 -10.821 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.252 -2.558 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.265 -4.308 -9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.527 -5.145 -12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.381 -5.902 -11.431 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.792 -5.198 -12.955 1.00 0.00 H new ATOM 658 N MET A 43 6.344 -2.161 -9.060 1.00 0.00 N ATOM 659 CA MET A 43 6.081 -0.887 -8.414 1.00 0.00 C ATOM 660 C MET A 43 7.374 -0.103 -8.255 1.00 0.00 C ATOM 661 O MET A 43 8.215 -0.434 -7.425 1.00 0.00 O ATOM 662 CB MET A 43 5.402 -1.133 -7.064 1.00 0.00 C ATOM 663 CG MET A 43 4.875 0.119 -6.384 1.00 0.00 C ATOM 664 SD MET A 43 3.798 -0.268 -4.990 1.00 0.00 S ATOM 665 CE MET A 43 2.510 -1.207 -5.809 1.00 0.00 C ATOM 0 H MET A 43 6.254 -2.968 -8.443 1.00 0.00 H new ATOM 0 HA MET A 43 5.410 -0.291 -9.032 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.574 -1.827 -7.209 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.114 -1.620 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.714 0.723 -6.037 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.327 0.721 -7.109 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.730 -1.458 -5.090 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.082 -0.611 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.933 -2.124 -6.220 1.00 0.00 H new ATOM 675 N THR A 44 7.545 0.902 -9.099 1.00 0.00 N ATOM 676 CA THR A 44 8.771 1.676 -9.128 1.00 0.00 C ATOM 677 C THR A 44 8.585 3.082 -8.561 1.00 0.00 C ATOM 678 O THR A 44 9.562 3.749 -8.209 1.00 0.00 O ATOM 679 CB THR A 44 9.307 1.772 -10.567 1.00 0.00 C ATOM 680 OG1 THR A 44 8.215 1.967 -11.480 1.00 0.00 O ATOM 681 CG2 THR A 44 10.074 0.511 -10.944 1.00 0.00 C ATOM 0 H THR A 44 6.844 1.201 -9.777 1.00 0.00 H new ATOM 0 HA THR A 44 9.490 1.154 -8.496 1.00 0.00 H new ATOM 0 HB THR A 44 9.988 2.621 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.561 2.029 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.444 0.602 -11.965 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.916 0.380 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.412 -0.352 -10.873 1.00 0.00 H new ATOM 689 N ASP A 45 7.342 3.546 -8.480 1.00 0.00 N ATOM 690 CA ASP A 45 7.079 4.884 -7.960 1.00 0.00 C ATOM 691 C ASP A 45 6.816 4.855 -6.472 1.00 0.00 C ATOM 692 O ASP A 45 6.111 3.988 -5.951 1.00 0.00 O ATOM 693 CB ASP A 45 5.927 5.566 -8.683 1.00 0.00 C ATOM 694 CG ASP A 45 5.882 7.046 -8.355 1.00 0.00 C ATOM 695 OD1 ASP A 45 5.277 7.415 -7.329 1.00 0.00 O ATOM 696 OD2 ASP A 45 6.491 7.841 -9.102 1.00 0.00 O ATOM 0 H ASP A 45 6.512 3.025 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 45 7.980 5.469 -8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.037 5.431 -9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.985 5.097 -8.398 1.00 0.00 H new ATOM 701 N ARG A 46 7.369 5.852 -5.813 1.00 0.00 N ATOM 702 CA ARG A 46 7.389 5.917 -4.366 1.00 0.00 C ATOM 703 C ARG A 46 5.992 6.191 -3.822 1.00 0.00 C ATOM 704 O ARG A 46 5.609 5.703 -2.750 1.00 0.00 O ATOM 705 CB ARG A 46 8.356 7.015 -3.912 1.00 0.00 C ATOM 706 CG ARG A 46 9.840 6.708 -4.126 1.00 0.00 C ATOM 707 CD ARG A 46 10.238 6.715 -5.596 1.00 0.00 C ATOM 708 NE ARG A 46 11.607 6.244 -5.777 1.00 0.00 N ATOM 709 CZ ARG A 46 12.286 6.306 -6.921 1.00 0.00 C ATOM 710 NH1 ARG A 46 11.737 6.842 -8.005 1.00 0.00 N ATOM 711 NH2 ARG A 46 13.518 5.817 -6.981 1.00 0.00 N ATOM 0 H ARG A 46 7.820 6.645 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 46 7.726 4.957 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.112 7.934 -4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.191 7.207 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.440 7.443 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.070 5.733 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.555 6.082 -6.163 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.143 7.724 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 46 12.078 5.838 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.787 7.211 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.265 6.885 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.941 5.396 -6.153 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.043 5.862 -7.855 1.00 0.00 H new ATOM 725 N LEU A 47 5.221 6.948 -4.589 1.00 0.00 N ATOM 726 CA LEU A 47 3.886 7.344 -4.179 1.00 0.00 C ATOM 727 C LEU A 47 2.921 6.176 -4.270 1.00 0.00 C ATOM 728 O LEU A 47 1.835 6.214 -3.692 1.00 0.00 O ATOM 729 CB LEU A 47 3.362 8.511 -5.026 1.00 0.00 C ATOM 730 CG LEU A 47 3.785 9.904 -4.562 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.343 10.130 -3.128 1.00 0.00 C ATOM 732 CD2 LEU A 47 5.286 10.095 -4.713 1.00 0.00 C ATOM 0 H LEU A 47 5.501 7.301 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 47 3.953 7.671 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.699 8.371 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.273 8.467 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 47 3.297 10.646 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.649 11.125 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.258 10.045 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.804 9.382 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.561 11.094 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.810 9.352 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.564 9.976 -5.760 1.00 0.00 H new ATOM 744 N ALA A 48 3.328 5.129 -4.968 1.00 0.00 N ATOM 745 CA ALA A 48 2.469 3.984 -5.160 1.00 0.00 C ATOM 746 C ALA A 48 2.524 3.111 -3.923 1.00 0.00 C ATOM 747 O ALA A 48 1.507 2.879 -3.266 1.00 0.00 O ATOM 748 CB ALA A 48 2.891 3.215 -6.394 1.00 0.00 C ATOM 0 H ALA A 48 4.245 5.053 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 48 1.441 4.313 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.236 2.354 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.822 3.863 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.919 2.873 -6.276 1.00 0.00 H new ATOM 754 N GLY A 49 3.727 2.623 -3.630 1.00 0.00 N ATOM 755 CA GLY A 49 3.996 1.976 -2.352 1.00 0.00 C ATOM 756 C GLY A 49 3.341 2.652 -1.146 1.00 0.00 C ATOM 757 O GLY A 49 2.714 1.971 -0.335 1.00 0.00 O ATOM 0 H GLY A 49 4.528 2.664 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.653 0.943 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.074 1.947 -2.194 1.00 0.00 H new ATOM 761 N CYS A 50 3.463 3.981 -1.013 1.00 0.00 N ATOM 762 CA CYS A 50 2.844 4.677 0.113 1.00 0.00 C ATOM 763 C CYS A 50 1.315 4.614 0.042 1.00 0.00 C ATOM 764 O CYS A 50 0.651 4.372 1.051 1.00 0.00 O ATOM 765 CB CYS A 50 3.308 6.139 0.174 1.00 0.00 C ATOM 766 SG CYS A 50 4.909 6.408 1.014 1.00 0.00 S ATOM 0 H CYS A 50 3.975 4.581 -1.660 1.00 0.00 H new ATOM 0 HA CYS A 50 3.163 4.168 1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.379 6.524 -0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.544 6.726 0.684 1.00 0.00 H new ATOM 771 N ALA A 51 0.761 4.811 -1.155 1.00 0.00 N ATOM 772 CA ALA A 51 -0.691 4.807 -1.353 1.00 0.00 C ATOM 773 C ALA A 51 -1.322 3.456 -1.025 1.00 0.00 C ATOM 774 O ALA A 51 -2.516 3.384 -0.721 1.00 0.00 O ATOM 775 CB ALA A 51 -1.036 5.216 -2.775 1.00 0.00 C ATOM 0 H ALA A 51 1.298 4.976 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.107 5.535 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.118 5.207 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.656 6.219 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.582 4.515 -3.476 1.00 0.00 H new ATOM 781 N ILE A 52 -0.524 2.393 -1.082 1.00 0.00 N ATOM 782 CA ILE A 52 -1.005 1.058 -0.731 1.00 0.00 C ATOM 783 C ILE A 52 -1.588 1.058 0.683 1.00 0.00 C ATOM 784 O ILE A 52 -2.612 0.427 0.948 1.00 0.00 O ATOM 785 CB ILE A 52 0.123 0.004 -0.825 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.677 -0.060 -2.253 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.374 -1.370 -0.389 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.363 -0.413 -3.300 1.00 0.00 C ATOM 0 H ILE A 52 0.455 2.429 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.783 0.792 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 52 0.924 0.306 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.119 0.904 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.479 -0.797 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.439 -2.092 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.720 -1.321 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.196 -1.681 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.105 -0.439 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.788 -1.391 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.154 0.337 -3.294 1.00 0.00 H new ATOM 800 N ASN A 53 -0.948 1.801 1.578 1.00 0.00 N ATOM 801 CA ASN A 53 -1.410 1.903 2.953 1.00 0.00 C ATOM 802 C ASN A 53 -1.467 3.370 3.382 1.00 0.00 C ATOM 803 O ASN A 53 -0.559 3.903 4.011 1.00 0.00 O ATOM 804 CB ASN A 53 -0.537 1.048 3.892 1.00 0.00 C ATOM 805 CG ASN A 53 0.936 1.431 3.893 1.00 0.00 C ATOM 806 OD1 ASN A 53 1.399 2.165 4.764 1.00 0.00 O ATOM 807 ND2 ASN A 53 1.683 0.932 2.919 1.00 0.00 N ATOM 0 H ASN A 53 -0.107 2.341 1.374 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.422 1.504 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.924 1.133 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.629 0.001 3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.678 1.154 2.875 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.263 0.326 2.214 1.00 0.00 H new ATOM 814 N CYS A 54 -2.546 4.027 2.991 1.00 0.00 N ATOM 815 CA CYS A 54 -2.719 5.449 3.245 1.00 0.00 C ATOM 816 C CYS A 54 -3.882 5.715 4.197 1.00 0.00 C ATOM 817 O CYS A 54 -3.735 6.446 5.173 1.00 0.00 O ATOM 818 CB CYS A 54 -2.961 6.165 1.917 1.00 0.00 C ATOM 819 SG CYS A 54 -3.771 7.787 2.078 1.00 0.00 S ATOM 0 H CYS A 54 -3.323 3.594 2.492 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.813 5.827 3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.005 6.298 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.574 5.527 1.280 1.00 0.00 H new ATOM 824 N LEU A 55 -5.022 5.081 3.939 1.00 0.00 N ATOM 825 CA LEU A 55 -6.249 5.381 4.675 1.00 0.00 C ATOM 826 C LEU A 55 -6.108 5.021 6.156 1.00 0.00 C ATOM 827 O LEU A 55 -6.031 5.899 7.019 1.00 0.00 O ATOM 828 CB LEU A 55 -7.433 4.629 4.043 1.00 0.00 C ATOM 829 CG LEU A 55 -8.833 5.225 4.283 1.00 0.00 C ATOM 830 CD1 LEU A 55 -9.241 5.129 5.744 1.00 0.00 C ATOM 831 CD2 LEU A 55 -8.888 6.670 3.810 1.00 0.00 C ATOM 0 H LEU A 55 -5.123 4.357 3.227 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.436 6.453 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.266 4.572 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.428 3.606 4.420 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.544 4.637 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.234 5.560 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.257 4.083 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.526 5.676 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.885 7.073 3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.154 7.261 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.664 6.713 2.744 1.00 0.00 H new ATOM 843 N ALA A 56 -6.012 3.733 6.446 1.00 0.00 N ATOM 844 CA ALA A 56 -6.040 3.275 7.827 1.00 0.00 C ATOM 845 C ALA A 56 -4.670 3.424 8.468 1.00 0.00 C ATOM 846 O ALA A 56 -4.520 3.298 9.681 1.00 0.00 O ATOM 847 CB ALA A 56 -6.516 1.834 7.896 1.00 0.00 C ATOM 0 H ALA A 56 -5.915 2.992 5.752 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.742 3.895 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.532 1.505 8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.520 1.762 7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.838 1.199 7.325 1.00 0.00 H new ATOM 853 N THR A 57 -3.679 3.718 7.642 1.00 0.00 N ATOM 854 CA THR A 57 -2.344 3.996 8.129 1.00 0.00 C ATOM 855 C THR A 57 -2.263 5.427 8.671 1.00 0.00 C ATOM 856 O THR A 57 -1.583 5.686 9.662 1.00 0.00 O ATOM 857 CB THR A 57 -1.294 3.764 7.019 1.00 0.00 C ATOM 858 OG1 THR A 57 -1.250 2.375 6.675 1.00 0.00 O ATOM 859 CG2 THR A 57 0.088 4.232 7.445 1.00 0.00 C ATOM 0 H THR A 57 -3.778 3.770 6.628 1.00 0.00 H new ATOM 0 HA THR A 57 -2.123 3.307 8.945 1.00 0.00 H new ATOM 0 HB THR A 57 -1.592 4.351 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.349 2.026 6.839 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.798 4.052 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.058 5.298 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.401 3.682 8.333 1.00 0.00 H new ATOM 867 N LYS A 58 -2.975 6.357 8.038 1.00 0.00 N ATOM 868 CA LYS A 58 -3.019 7.726 8.533 1.00 0.00 C ATOM 869 C LYS A 58 -4.013 7.874 9.684 1.00 0.00 C ATOM 870 O LYS A 58 -3.961 8.858 10.425 1.00 0.00 O ATOM 871 CB LYS A 58 -3.338 8.711 7.412 1.00 0.00 C ATOM 872 CG LYS A 58 -2.168 8.937 6.466 1.00 0.00 C ATOM 873 CD LYS A 58 -1.898 10.419 6.266 1.00 0.00 C ATOM 874 CE LYS A 58 -1.545 11.101 7.583 1.00 0.00 C ATOM 875 NZ LYS A 58 -1.421 12.578 7.446 1.00 0.00 N ATOM 0 H LYS A 58 -3.521 6.189 7.193 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.027 7.962 8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.191 8.341 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.635 9.665 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.276 8.453 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.380 8.471 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.081 10.549 5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.777 10.895 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.311 10.871 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.606 10.694 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.098 12.984 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.733 12.801 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.346 12.982 7.196 1.00 0.00 H new ATOM 889 N LEU A 59 -4.919 6.909 9.836 1.00 0.00 N ATOM 890 CA LEU A 59 -5.763 6.865 11.022 1.00 0.00 C ATOM 891 C LEU A 59 -4.907 6.638 12.269 1.00 0.00 C ATOM 892 O LEU A 59 -4.883 7.485 13.161 1.00 0.00 O ATOM 893 CB LEU A 59 -6.834 5.770 10.906 1.00 0.00 C ATOM 894 CG LEU A 59 -8.204 6.226 10.383 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.865 7.171 11.374 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.086 6.892 9.021 1.00 0.00 C ATOM 0 H LEU A 59 -5.084 6.160 9.163 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.273 7.824 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.457 4.988 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.973 5.319 11.889 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.827 5.338 10.270 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.835 7.484 10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.002 6.661 12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.232 8.047 11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.074 7.202 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.438 7.765 9.098 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.661 6.187 8.307 1.00 0.00 H new ATOM 908 N ASP A 60 -4.185 5.517 12.319 1.00 0.00 N ATOM 909 CA ASP A 60 -3.328 5.204 13.464 1.00 0.00 C ATOM 910 C ASP A 60 -2.547 3.922 13.221 1.00 0.00 C ATOM 911 O ASP A 60 -3.133 2.847 13.084 1.00 0.00 O ATOM 912 CB ASP A 60 -4.145 5.074 14.755 1.00 0.00 C ATOM 913 CG ASP A 60 -3.292 4.644 15.933 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.175 5.176 16.096 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.731 3.754 16.693 1.00 0.00 O ATOM 0 H ASP A 60 -4.177 4.812 11.582 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.628 6.031 13.580 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.618 6.030 14.981 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.945 4.350 14.605 1.00 0.00 H new ATOM 920 N VAL A 61 -1.228 4.033 13.173 1.00 0.00 N ATOM 921 CA VAL A 61 -0.386 2.875 12.914 1.00 0.00 C ATOM 922 C VAL A 61 1.020 3.089 13.501 1.00 0.00 C ATOM 923 O VAL A 61 2.013 2.542 13.013 1.00 0.00 O ATOM 924 CB VAL A 61 -0.302 2.633 11.387 1.00 0.00 C ATOM 925 CG1 VAL A 61 0.570 3.685 10.714 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.187 1.228 11.069 1.00 0.00 C ATOM 0 H VAL A 61 -0.720 4.907 13.309 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.824 2.000 13.394 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.311 2.725 10.984 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.612 3.491 9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.146 4.674 10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.577 3.643 11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.233 1.095 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.180 1.083 11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.501 0.498 11.495 1.00 0.00 H new ATOM 936 N VAL A 62 1.100 3.832 14.597 1.00 0.00 N ATOM 937 CA VAL A 62 2.395 4.186 15.163 1.00 0.00 C ATOM 938 C VAL A 62 2.677 3.427 16.463 1.00 0.00 C ATOM 939 O VAL A 62 1.887 3.460 17.406 1.00 0.00 O ATOM 940 CB VAL A 62 2.528 5.716 15.384 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.345 6.460 14.073 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.532 6.219 16.418 1.00 0.00 C ATOM 0 H VAL A 62 0.295 4.197 15.106 1.00 0.00 H new ATOM 0 HA VAL A 62 3.146 3.886 14.432 1.00 0.00 H new ATOM 0 HB VAL A 62 3.531 5.909 15.764 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.441 7.532 14.246 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.106 6.137 13.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.356 6.246 13.668 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.654 7.294 16.547 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.518 6.007 16.080 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.710 5.717 17.369 1.00 0.00 H new ATOM 952 N ASP A 63 3.777 2.677 16.476 1.00 0.00 N ATOM 953 CA ASP A 63 4.228 1.990 17.684 1.00 0.00 C ATOM 954 C ASP A 63 4.892 2.948 18.683 1.00 0.00 C ATOM 955 O ASP A 63 4.440 3.055 19.821 1.00 0.00 O ATOM 956 CB ASP A 63 5.207 0.870 17.320 1.00 0.00 C ATOM 957 CG ASP A 63 5.163 -0.287 18.296 1.00 0.00 C ATOM 958 OD1 ASP A 63 4.056 -0.767 18.605 1.00 0.00 O ATOM 959 OD2 ASP A 63 6.240 -0.732 18.734 1.00 0.00 O ATOM 0 H ASP A 63 4.373 2.530 15.662 1.00 0.00 H new ATOM 0 HA ASP A 63 3.344 1.570 18.163 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.978 0.504 16.319 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.219 1.274 17.288 1.00 0.00 H new ATOM 964 N PRO A 64 5.963 3.671 18.276 1.00 0.00 N ATOM 965 CA PRO A 64 6.832 4.407 19.180 1.00 0.00 C ATOM 966 C PRO A 64 6.596 5.920 19.161 1.00 0.00 C ATOM 967 O PRO A 64 5.461 6.387 19.109 1.00 0.00 O ATOM 968 CB PRO A 64 8.204 4.077 18.584 1.00 0.00 C ATOM 969 CG PRO A 64 7.955 3.822 17.121 1.00 0.00 C ATOM 970 CD PRO A 64 6.459 3.859 16.913 1.00 0.00 C ATOM 0 HA PRO A 64 6.685 4.135 20.225 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.902 4.902 18.725 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.642 3.203 19.066 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.448 4.577 16.509 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.362 2.855 16.824 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.129 4.805 16.485 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.120 3.070 16.242 1.00 0.00 H new ATOM 978 N ASP A 65 7.702 6.667 19.182 1.00 0.00 N ATOM 979 CA ASP A 65 7.697 8.133 19.274 1.00 0.00 C ATOM 980 C ASP A 65 7.233 8.809 17.982 1.00 0.00 C ATOM 981 O ASP A 65 7.401 10.019 17.816 1.00 0.00 O ATOM 982 CB ASP A 65 9.105 8.637 19.602 1.00 0.00 C ATOM 983 CG ASP A 65 9.591 8.200 20.964 1.00 0.00 C ATOM 984 OD1 ASP A 65 9.072 8.709 21.979 1.00 0.00 O ATOM 985 OD2 ASP A 65 10.497 7.345 21.024 1.00 0.00 O ATOM 0 H ASP A 65 8.640 6.268 19.135 1.00 0.00 H new ATOM 0 HA ASP A 65 6.991 8.392 20.063 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.799 8.276 18.843 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.115 9.726 19.552 1.00 0.00 H new ATOM 990 N GLY A 66 6.677 8.035 17.068 1.00 0.00 N ATOM 991 CA GLY A 66 6.260 8.575 15.792 1.00 0.00 C ATOM 992 C GLY A 66 6.915 7.838 14.650 1.00 0.00 C ATOM 993 O GLY A 66 6.288 7.017 13.977 1.00 0.00 O ATOM 0 H GLY A 66 6.505 7.037 17.186 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.176 8.504 15.700 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.516 9.633 15.740 1.00 0.00 H new ATOM 997 N ASN A 67 8.192 8.118 14.457 1.00 0.00 N ATOM 998 CA ASN A 67 8.996 7.443 13.450 1.00 0.00 C ATOM 999 C ASN A 67 9.248 5.999 13.854 1.00 0.00 C ATOM 1000 O ASN A 67 9.217 5.674 15.042 1.00 0.00 O ATOM 1001 CB ASN A 67 10.337 8.163 13.277 1.00 0.00 C ATOM 1002 CG ASN A 67 11.100 8.280 14.585 1.00 0.00 C ATOM 1003 OD1 ASN A 67 11.896 7.272 14.912 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 10.965 9.270 15.307 1.00 0.00 N flip ATOM 0 H ASN A 67 8.702 8.820 14.993 1.00 0.00 H new ATOM 0 HA ASN A 67 8.451 7.460 12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.945 7.624 12.551 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.163 9.159 12.870 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.343 10.027 15.023 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.475 9.332 16.188 1.00 0.00 H new ATOM 1011 N LEU A 68 9.458 5.139 12.864 1.00 0.00 N ATOM 1012 CA LEU A 68 9.867 3.757 13.099 1.00 0.00 C ATOM 1013 C LEU A 68 8.733 2.962 13.752 1.00 0.00 C ATOM 1014 O LEU A 68 8.961 2.093 14.591 1.00 0.00 O ATOM 1015 CB LEU A 68 11.142 3.723 13.964 1.00 0.00 C ATOM 1016 CG LEU A 68 12.221 2.705 13.556 1.00 0.00 C ATOM 1017 CD1 LEU A 68 11.724 1.282 13.716 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.689 2.945 12.127 1.00 0.00 C ATOM 0 H LEU A 68 9.350 5.378 11.878 1.00 0.00 H new ATOM 0 HA LEU A 68 10.091 3.288 12.141 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.589 4.717 13.952 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.850 3.517 14.994 1.00 0.00 H new ATOM 0 HG LEU A 68 13.071 2.846 14.224 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.509 0.587 13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.457 1.105 14.758 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.848 1.130 13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.451 2.211 11.866 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.843 2.848 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.108 3.948 12.045 1.00 0.00 H new ATOM 1030 N HIS A 69 7.503 3.258 13.345 1.00 0.00 N ATOM 1031 CA HIS A 69 6.348 2.511 13.811 1.00 0.00 C ATOM 1032 C HIS A 69 6.307 1.116 13.185 1.00 0.00 C ATOM 1033 O HIS A 69 5.605 0.871 12.210 1.00 0.00 O ATOM 1034 CB HIS A 69 5.051 3.286 13.524 1.00 0.00 C ATOM 1035 CG HIS A 69 4.916 3.816 12.121 1.00 0.00 C ATOM 1036 ND1 HIS A 69 4.168 3.194 11.147 1.00 0.00 N ATOM 1037 CD2 HIS A 69 5.417 4.936 11.543 1.00 0.00 C ATOM 1038 CE1 HIS A 69 4.216 3.904 10.034 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.967 4.968 10.247 1.00 0.00 N ATOM 0 H HIS A 69 7.284 4.011 12.693 1.00 0.00 H new ATOM 0 HA HIS A 69 6.436 2.386 14.890 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.203 2.633 13.731 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.986 4.123 14.219 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.054 5.669 12.016 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.723 3.655 9.106 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.178 5.694 9.562 1.00 0.00 H new ATOM 1048 N HIS A 70 7.107 0.223 13.751 1.00 0.00 N ATOM 1049 CA HIS A 70 7.235 -1.147 13.267 1.00 0.00 C ATOM 1050 C HIS A 70 6.178 -2.077 13.880 1.00 0.00 C ATOM 1051 O HIS A 70 5.363 -2.657 13.161 1.00 0.00 O ATOM 1052 CB HIS A 70 8.666 -1.649 13.554 1.00 0.00 C ATOM 1053 CG HIS A 70 8.793 -3.130 13.759 1.00 0.00 C ATOM 1054 ND1 HIS A 70 8.689 -4.054 12.744 1.00 0.00 N ATOM 1055 CD2 HIS A 70 8.991 -3.842 14.893 1.00 0.00 C ATOM 1056 CE1 HIS A 70 8.807 -5.269 13.246 1.00 0.00 C ATOM 1057 NE2 HIS A 70 8.992 -5.169 14.549 1.00 0.00 N ATOM 0 H HIS A 70 7.689 0.428 14.563 1.00 0.00 H new ATOM 0 HA HIS A 70 7.058 -1.157 12.192 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.310 -1.356 12.725 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.041 -1.142 14.443 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.124 -3.439 15.886 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.760 -6.190 12.685 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.115 -5.950 15.193 1.00 0.00 H new ATOM 1066 N GLY A 71 6.196 -2.198 15.206 1.00 0.00 N ATOM 1067 CA GLY A 71 5.382 -3.194 15.890 1.00 0.00 C ATOM 1068 C GLY A 71 3.906 -3.026 15.638 1.00 0.00 C ATOM 1069 O GLY A 71 3.261 -3.901 15.063 1.00 0.00 O ATOM 0 H GLY A 71 6.764 -1.619 15.824 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.689 -4.189 15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.571 -3.135 16.962 1.00 0.00 H new ATOM 1073 N ASN A 72 3.381 -1.894 16.057 1.00 0.00 N ATOM 1074 CA ASN A 72 1.956 -1.602 15.926 1.00 0.00 C ATOM 1075 C ASN A 72 1.494 -1.637 14.462 1.00 0.00 C ATOM 1076 O ASN A 72 0.319 -1.868 14.189 1.00 0.00 O ATOM 1077 CB ASN A 72 1.634 -0.248 16.571 1.00 0.00 C ATOM 1078 CG ASN A 72 0.145 -0.015 16.752 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -0.639 -0.960 16.842 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -0.250 1.243 16.854 1.00 0.00 N ATOM 0 H ASN A 72 3.921 -1.149 16.497 1.00 0.00 H new ATOM 0 HA ASN A 72 1.406 -2.383 16.451 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.126 -0.188 17.542 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.048 0.549 15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.235 1.457 17.013 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.430 1.999 16.774 1.00 0.00 H new ATOM 1087 N ALA A 73 2.414 -1.435 13.516 1.00 0.00 N ATOM 1088 CA ALA A 73 2.061 -1.482 12.100 1.00 0.00 C ATOM 1089 C ALA A 73 1.824 -2.920 11.649 1.00 0.00 C ATOM 1090 O ALA A 73 0.922 -3.202 10.857 1.00 0.00 O ATOM 1091 CB ALA A 73 3.151 -0.841 11.257 1.00 0.00 C ATOM 0 H ALA A 73 3.397 -1.240 13.704 1.00 0.00 H new ATOM 0 HA ALA A 73 1.137 -0.920 11.963 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.870 -0.885 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.277 0.200 11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.088 -1.377 11.405 1.00 0.00 H new ATOM 1097 N LYS A 74 2.616 -3.834 12.183 1.00 0.00 N ATOM 1098 CA LYS A 74 2.448 -5.241 11.877 1.00 0.00 C ATOM 1099 C LYS A 74 1.321 -5.817 12.710 1.00 0.00 C ATOM 1100 O LYS A 74 0.602 -6.708 12.267 1.00 0.00 O ATOM 1101 CB LYS A 74 3.737 -6.007 12.123 1.00 0.00 C ATOM 1102 CG LYS A 74 4.837 -5.629 11.153 1.00 0.00 C ATOM 1103 CD LYS A 74 4.466 -5.993 9.725 1.00 0.00 C ATOM 1104 CE LYS A 74 4.279 -7.494 9.570 1.00 0.00 C ATOM 1105 NZ LYS A 74 4.037 -7.889 8.158 1.00 0.00 N ATOM 0 H LYS A 74 3.378 -3.627 12.828 1.00 0.00 H new ATOM 0 HA LYS A 74 2.196 -5.340 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.077 -5.820 13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.540 -7.076 12.044 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.030 -4.558 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.760 -6.137 11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.547 -5.479 9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.246 -5.649 9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.165 -8.009 9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.440 -7.819 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.085 -8.297 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.113 -7.052 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.744 -8.595 7.869 1.00 0.00 H new ATOM 1119 N ASP A 75 1.167 -5.284 13.914 1.00 0.00 N ATOM 1120 CA ASP A 75 0.062 -5.655 14.785 1.00 0.00 C ATOM 1121 C ASP A 75 -1.261 -5.275 14.127 1.00 0.00 C ATOM 1122 O ASP A 75 -2.237 -6.026 14.180 1.00 0.00 O ATOM 1123 CB ASP A 75 0.203 -4.954 16.137 1.00 0.00 C ATOM 1124 CG ASP A 75 -0.771 -5.475 17.166 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -1.915 -4.979 17.220 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -0.391 -6.379 17.934 1.00 0.00 O ATOM 0 H ASP A 75 1.799 -4.589 14.311 1.00 0.00 H new ATOM 0 HA ASP A 75 0.079 -6.733 14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.220 -5.086 16.506 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.048 -3.883 16.005 1.00 0.00 H new ATOM 1131 N PHE A 76 -1.269 -4.109 13.488 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.425 -3.645 12.737 1.00 0.00 C ATOM 1133 C PHE A 76 -2.714 -4.577 11.566 1.00 0.00 C ATOM 1134 O PHE A 76 -3.863 -4.933 11.318 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.181 -2.216 12.237 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.152 -1.762 11.186 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.475 -1.510 11.503 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -2.734 -1.586 9.878 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.367 -1.091 10.534 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -3.619 -1.169 8.904 1.00 0.00 C ATOM 1141 CZ PHE A 76 -4.937 -0.921 9.233 1.00 0.00 C ATOM 0 H PHE A 76 -0.478 -3.465 13.477 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.294 -3.647 13.394 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.232 -1.532 13.084 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.170 -2.150 11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.815 -1.642 12.520 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.704 -1.777 9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.397 -0.897 10.794 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.281 -1.037 7.887 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.631 -0.594 8.473 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.665 -4.991 10.873 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.817 -5.846 9.703 1.00 0.00 C ATOM 1153 C ALA A 77 -2.245 -7.259 10.091 1.00 0.00 C ATOM 1154 O ALA A 77 -3.039 -7.884 9.394 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.520 -5.895 8.915 1.00 0.00 C ATOM 0 H ALA A 77 -0.700 -4.750 11.099 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.602 -5.417 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.648 -6.537 8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.254 -4.889 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.274 -6.294 9.546 1.00 0.00 H new ATOM 1161 N MET A 78 -1.710 -7.754 11.201 1.00 0.00 N ATOM 1162 CA MET A 78 -2.029 -9.103 11.666 1.00 0.00 C ATOM 1163 C MET A 78 -3.461 -9.198 12.168 1.00 0.00 C ATOM 1164 O MET A 78 -4.096 -10.243 12.056 1.00 0.00 O ATOM 1165 CB MET A 78 -1.069 -9.550 12.775 1.00 0.00 C ATOM 1166 CG MET A 78 0.349 -9.806 12.296 1.00 0.00 C ATOM 1167 SD MET A 78 1.420 -10.487 13.582 1.00 0.00 S ATOM 1168 CE MET A 78 1.485 -9.122 14.742 1.00 0.00 C ATOM 0 H MET A 78 -1.055 -7.245 11.795 1.00 0.00 H new ATOM 0 HA MET A 78 -1.915 -9.766 10.808 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.047 -8.786 13.552 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.457 -10.460 13.233 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.322 -10.495 11.452 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.777 -8.872 11.932 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.258 -9.314 15.487 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.717 -8.201 14.207 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.520 -9.020 15.239 1.00 0.00 H new ATOM 1178 N LYS A 79 -3.975 -8.119 12.732 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.339 -8.139 13.221 1.00 0.00 C ATOM 1180 C LYS A 79 -6.305 -7.625 12.156 1.00 0.00 C ATOM 1181 O LYS A 79 -7.523 -7.737 12.306 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.471 -7.329 14.518 1.00 0.00 C ATOM 1183 CG LYS A 79 -6.807 -7.529 15.213 1.00 0.00 C ATOM 1184 CD LYS A 79 -7.006 -8.984 15.607 1.00 0.00 C ATOM 1185 CE LYS A 79 -8.464 -9.294 15.906 1.00 0.00 C ATOM 1186 NZ LYS A 79 -9.018 -8.429 16.978 1.00 0.00 N ATOM 0 H LYS A 79 -3.480 -7.237 12.860 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.601 -9.173 13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.668 -7.612 15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.340 -6.271 14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.857 -6.898 16.101 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.615 -7.214 14.553 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.655 -9.630 14.802 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.399 -9.209 16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.054 -9.166 14.998 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -8.557 -10.339 16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.973 -8.755 17.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.404 -8.479 17.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.065 -7.446 16.641 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.775 -7.056 11.075 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.622 -6.526 10.011 1.00 0.00 C ATOM 1202 C HIS A 80 -6.006 -6.795 8.642 1.00 0.00 C ATOM 1203 O HIS A 80 -5.224 -5.986 8.142 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.840 -5.014 10.179 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.294 -4.602 11.548 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -8.593 -4.726 11.982 1.00 0.00 N ATOM 1207 CD2 HIS A 80 -6.600 -4.082 12.588 1.00 0.00 C ATOM 1208 CE1 HIS A 80 -8.681 -4.298 13.229 1.00 0.00 C ATOM 1209 NE2 HIS A 80 -7.485 -3.904 13.618 1.00 0.00 N ATOM 0 H HIS A 80 -4.773 -6.951 10.914 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.584 -7.034 10.079 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.909 -4.497 9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.579 -4.682 9.449 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.545 -3.851 12.603 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.580 -4.275 13.827 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.256 -3.527 14.538 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.336 -7.937 8.050 1.00 0.00 N ATOM 1219 CA GLY A 81 -5.886 -8.224 6.703 1.00 0.00 C ATOM 1220 C GLY A 81 -5.189 -9.559 6.591 1.00 0.00 C ATOM 1221 O GLY A 81 -5.705 -10.488 5.972 1.00 0.00 O ATOM 0 H GLY A 81 -6.906 -8.667 8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.742 -8.208 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.207 -7.436 6.376 1.00 0.00 H new ATOM 1225 N ALA A 82 -4.019 -9.660 7.197 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.236 -10.876 7.112 1.00 0.00 C ATOM 1227 C ALA A 82 -3.280 -11.638 8.420 1.00 0.00 C ATOM 1228 O ALA A 82 -3.238 -11.041 9.491 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.794 -10.570 6.743 1.00 0.00 C ATOM 0 H ALA A 82 -3.593 -8.917 7.751 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.673 -11.495 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.228 -11.500 6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.765 -10.067 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.354 -9.923 7.502 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.359 -12.949 8.327 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.285 -13.799 9.502 1.00 0.00 C ATOM 1237 C ASP A 83 -1.857 -13.910 9.941 1.00 0.00 C ATOM 1238 O ASP A 83 -0.931 -13.652 9.167 1.00 0.00 O ATOM 1239 CB ASP A 83 -3.899 -15.171 9.252 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.335 -15.877 8.040 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -2.343 -16.610 8.185 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -3.906 -15.722 6.937 1.00 0.00 O ATOM 0 H ASP A 83 -3.475 -13.453 7.448 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.871 -13.343 10.300 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.742 -15.796 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.976 -15.060 9.128 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.684 -14.281 11.184 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.438 -14.131 11.845 1.00 0.00 C ATOM 1249 C GLU A 84 0.655 -14.930 11.169 1.00 0.00 C ATOM 1250 O GLU A 84 1.703 -14.398 10.845 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.595 -14.525 13.317 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.951 -15.987 13.593 1.00 0.00 C ATOM 1253 CD GLU A 84 -2.129 -16.507 12.793 1.00 0.00 C ATOM 1254 OE1 GLU A 84 -3.258 -16.022 13.000 1.00 0.00 O ATOM 1255 OE2 GLU A 84 -1.922 -17.387 11.932 1.00 0.00 O ATOM 0 H GLU A 84 -2.416 -14.697 11.759 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.135 -13.086 11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.337 -14.296 13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.367 -13.895 13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.080 -16.607 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.170 -16.101 14.655 1.00 0.00 H new ATOM 1262 N THR A 85 0.382 -16.188 10.917 1.00 0.00 N ATOM 1263 CA THR A 85 1.339 -17.062 10.280 1.00 0.00 C ATOM 1264 C THR A 85 1.724 -16.534 8.884 1.00 0.00 C ATOM 1265 O THR A 85 2.856 -16.722 8.450 1.00 0.00 O ATOM 1266 CB THR A 85 0.797 -18.504 10.212 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.848 -19.429 9.890 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.317 -18.631 9.196 1.00 0.00 C ATOM 0 H THR A 85 -0.506 -16.634 11.147 1.00 0.00 H new ATOM 0 HA THR A 85 2.246 -17.077 10.884 1.00 0.00 H new ATOM 0 HB THR A 85 0.396 -18.744 11.197 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.484 -20.338 9.853 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.675 -19.660 9.175 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.137 -17.967 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.057 -18.357 8.210 1.00 0.00 H new ATOM 1276 N MET A 86 0.811 -15.806 8.217 1.00 0.00 N ATOM 1277 CA MET A 86 1.075 -15.261 6.900 1.00 0.00 C ATOM 1278 C MET A 86 1.908 -13.992 7.026 1.00 0.00 C ATOM 1279 O MET A 86 2.915 -13.811 6.336 1.00 0.00 O ATOM 1280 CB MET A 86 -0.262 -14.996 6.200 1.00 0.00 C ATOM 1281 CG MET A 86 -0.214 -13.924 5.135 1.00 0.00 C ATOM 1282 SD MET A 86 0.743 -14.397 3.683 1.00 0.00 S ATOM 1283 CE MET A 86 0.415 -13.006 2.604 1.00 0.00 C ATOM 0 H MET A 86 -0.116 -15.588 8.582 1.00 0.00 H new ATOM 0 HA MET A 86 1.646 -15.969 6.299 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.610 -15.924 5.747 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.000 -14.711 6.950 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.231 -13.683 4.827 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.213 -13.017 5.562 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.939 -13.147 1.659 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.657 -12.935 2.418 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.763 -12.088 3.078 1.00 0.00 H new ATOM 1293 N ALA A 87 1.498 -13.134 7.944 1.00 0.00 N ATOM 1294 CA ALA A 87 2.261 -11.947 8.282 1.00 0.00 C ATOM 1295 C ALA A 87 3.662 -12.345 8.736 1.00 0.00 C ATOM 1296 O ALA A 87 4.644 -11.663 8.455 1.00 0.00 O ATOM 1297 CB ALA A 87 1.550 -11.195 9.383 1.00 0.00 C ATOM 0 H ALA A 87 0.632 -13.240 8.473 1.00 0.00 H new ATOM 0 HA ALA A 87 2.347 -11.305 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.120 -10.302 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.556 -10.905 9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.461 -11.834 10.261 1.00 0.00 H new ATOM 1303 N GLN A 88 3.717 -13.472 9.427 1.00 0.00 N ATOM 1304 CA GLN A 88 4.945 -14.048 9.952 1.00 0.00 C ATOM 1305 C GLN A 88 5.797 -14.654 8.846 1.00 0.00 C ATOM 1306 O GLN A 88 7.017 -14.757 8.981 1.00 0.00 O ATOM 1307 CB GLN A 88 4.597 -15.109 10.991 1.00 0.00 C ATOM 1308 CG GLN A 88 4.758 -14.647 12.438 1.00 0.00 C ATOM 1309 CD GLN A 88 4.059 -13.326 12.736 1.00 0.00 C ATOM 1310 OE1 GLN A 88 4.657 -12.257 12.609 1.00 0.00 O ATOM 1311 NE2 GLN A 88 2.789 -13.377 13.130 1.00 0.00 N ATOM 0 H GLN A 88 2.888 -14.026 9.644 1.00 0.00 H new ATOM 0 HA GLN A 88 5.529 -13.253 10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.566 -15.428 10.836 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.229 -15.982 10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.363 -15.416 13.102 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.820 -14.546 12.663 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.321 -14.278 13.226 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.284 -12.515 13.336 1.00 0.00 H new ATOM 1320 N GLN A 89 5.167 -15.047 7.749 1.00 0.00 N ATOM 1321 CA GLN A 89 5.927 -15.475 6.580 1.00 0.00 C ATOM 1322 C GLN A 89 6.492 -14.236 5.894 1.00 0.00 C ATOM 1323 O GLN A 89 7.506 -14.302 5.204 1.00 0.00 O ATOM 1324 CB GLN A 89 5.085 -16.284 5.563 1.00 0.00 C ATOM 1325 CG GLN A 89 4.434 -17.554 6.099 1.00 0.00 C ATOM 1326 CD GLN A 89 5.345 -18.376 6.989 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.151 -19.174 6.507 1.00 0.00 O ATOM 1328 NE2 GLN A 89 5.157 -18.246 8.292 1.00 0.00 N ATOM 0 H GLN A 89 4.153 -15.079 7.642 1.00 0.00 H new ATOM 0 HA GLN A 89 6.718 -16.140 6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.302 -15.635 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.725 -16.554 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.539 -17.284 6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.110 -18.168 5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.478 -17.571 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.691 -18.820 8.944 1.00 0.00 H new ATOM 1337 N LEU A 90 5.846 -13.093 6.126 1.00 0.00 N ATOM 1338 CA LEU A 90 6.261 -11.847 5.504 1.00 0.00 C ATOM 1339 C LEU A 90 7.373 -11.168 6.309 1.00 0.00 C ATOM 1340 O LEU A 90 8.338 -10.665 5.737 1.00 0.00 O ATOM 1341 CB LEU A 90 5.064 -10.895 5.358 1.00 0.00 C ATOM 1342 CG LEU A 90 5.368 -9.535 4.710 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.657 -9.688 3.224 1.00 0.00 C ATOM 1344 CD2 LEU A 90 4.207 -8.575 4.925 1.00 0.00 C ATOM 0 H LEU A 90 5.036 -13.010 6.740 1.00 0.00 H new ATOM 0 HA LEU A 90 6.651 -12.084 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.296 -11.395 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.641 -10.719 6.347 1.00 0.00 H new ATOM 0 HG LEU A 90 6.258 -9.126 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.869 -8.710 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.520 -10.340 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.790 -10.124 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.437 -7.616 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.305 -8.989 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.047 -8.431 5.994 1.00 0.00 H new ATOM 1356 N VAL A 91 7.236 -11.172 7.641 1.00 0.00 N ATOM 1357 CA VAL A 91 8.161 -10.446 8.525 1.00 0.00 C ATOM 1358 C VAL A 91 9.606 -10.890 8.338 1.00 0.00 C ATOM 1359 O VAL A 91 10.531 -10.078 8.409 1.00 0.00 O ATOM 1360 CB VAL A 91 7.791 -10.599 10.023 1.00 0.00 C ATOM 1361 CG1 VAL A 91 6.417 -10.026 10.313 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.881 -12.045 10.485 1.00 0.00 C ATOM 0 H VAL A 91 6.493 -11.670 8.132 1.00 0.00 H new ATOM 0 HA VAL A 91 8.065 -9.399 8.238 1.00 0.00 H new ATOM 0 HB VAL A 91 8.524 -10.027 10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.188 -10.149 11.371 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.404 -8.966 10.060 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.671 -10.551 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.614 -12.107 11.540 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.195 -12.657 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.899 -12.408 10.347 1.00 0.00 H new ATOM 1372 N ASP A 92 9.783 -12.172 8.083 1.00 0.00 N ATOM 1373 CA ASP A 92 11.099 -12.760 7.925 1.00 0.00 C ATOM 1374 C ASP A 92 11.777 -12.208 6.674 1.00 0.00 C ATOM 1375 O ASP A 92 12.949 -11.815 6.711 1.00 0.00 O ATOM 1376 CB ASP A 92 10.965 -14.288 7.897 1.00 0.00 C ATOM 1377 CG ASP A 92 12.204 -14.993 7.377 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.185 -15.121 8.142 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.201 -15.431 6.212 1.00 0.00 O ATOM 0 H ASP A 92 9.016 -12.837 7.979 1.00 0.00 H new ATOM 0 HA ASP A 92 11.736 -12.495 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.749 -14.645 8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.113 -14.559 7.273 1.00 0.00 H new ATOM 1384 N ILE A 93 11.023 -12.126 5.583 1.00 0.00 N ATOM 1385 CA ILE A 93 11.507 -11.485 4.372 1.00 0.00 C ATOM 1386 C ILE A 93 11.806 -10.015 4.627 1.00 0.00 C ATOM 1387 O ILE A 93 12.841 -9.514 4.205 1.00 0.00 O ATOM 1388 CB ILE A 93 10.499 -11.625 3.206 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.865 -12.813 2.322 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.418 -10.349 2.380 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.921 -14.130 3.070 1.00 0.00 C ATOM 0 H ILE A 93 10.075 -12.496 5.515 1.00 0.00 H new ATOM 0 HA ILE A 93 12.427 -11.993 4.083 1.00 0.00 H new ATOM 0 HB ILE A 93 9.514 -11.801 3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.136 -12.893 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.834 -12.626 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.701 -10.484 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.096 -9.524 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.399 -10.124 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.187 -14.930 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.670 -14.069 3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.946 -14.340 3.510 1.00 0.00 H new ATOM 1403 N ILE A 94 10.903 -9.335 5.333 1.00 0.00 N ATOM 1404 CA ILE A 94 11.078 -7.914 5.615 1.00 0.00 C ATOM 1405 C ILE A 94 12.446 -7.656 6.220 1.00 0.00 C ATOM 1406 O ILE A 94 13.168 -6.774 5.778 1.00 0.00 O ATOM 1407 CB ILE A 94 10.010 -7.362 6.579 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.609 -7.686 6.067 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.175 -5.854 6.737 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.506 -7.148 6.951 1.00 0.00 C ATOM 0 H ILE A 94 10.050 -9.743 5.717 1.00 0.00 H new ATOM 0 HA ILE A 94 10.976 -7.401 4.659 1.00 0.00 H new ATOM 0 HB ILE A 94 10.142 -7.836 7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.493 -7.276 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.502 -8.768 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.415 -5.474 7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.165 -5.636 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.063 -5.372 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.538 -7.415 6.528 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.597 -7.578 7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.588 -6.063 7.015 1.00 0.00 H new ATOM 1422 N HIS A 95 12.817 -8.462 7.204 1.00 0.00 N ATOM 1423 CA HIS A 95 14.065 -8.233 7.926 1.00 0.00 C ATOM 1424 C HIS A 95 15.266 -8.545 7.037 1.00 0.00 C ATOM 1425 O HIS A 95 16.265 -7.820 7.043 1.00 0.00 O ATOM 1426 CB HIS A 95 14.147 -9.090 9.204 1.00 0.00 C ATOM 1427 CG HIS A 95 12.981 -8.960 10.136 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.596 -9.973 10.981 1.00 0.00 N ATOM 1429 CD2 HIS A 95 12.127 -7.936 10.371 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.565 -9.581 11.699 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.255 -8.344 11.354 1.00 0.00 N ATOM 0 H HIS A 95 12.282 -9.271 7.520 1.00 0.00 H new ATOM 0 HA HIS A 95 14.082 -7.181 8.210 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.245 -10.136 8.915 1.00 0.00 H new ATOM 0 HB3 HIS A 95 15.055 -8.822 9.744 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.130 -6.975 9.877 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.057 -10.172 12.446 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.498 -7.786 11.749 1.00 0.00 H new ATOM 1440 N GLY A 96 15.134 -9.570 6.206 1.00 0.00 N ATOM 1441 CA GLY A 96 16.264 -10.016 5.425 1.00 0.00 C ATOM 1442 C GLY A 96 16.434 -9.208 4.167 1.00 0.00 C ATOM 1443 O GLY A 96 17.548 -8.835 3.803 1.00 0.00 O ATOM 0 H GLY A 96 14.272 -10.095 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.171 -9.946 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.134 -11.067 5.166 1.00 0.00 H new ATOM 1447 N CYS A 97 15.327 -8.926 3.507 1.00 0.00 N ATOM 1448 CA CYS A 97 15.344 -8.176 2.275 1.00 0.00 C ATOM 1449 C CYS A 97 15.635 -6.696 2.526 1.00 0.00 C ATOM 1450 O CYS A 97 16.392 -6.087 1.779 1.00 0.00 O ATOM 1451 CB CYS A 97 14.039 -8.373 1.514 1.00 0.00 C ATOM 1452 SG CYS A 97 13.612 -10.132 1.233 1.00 0.00 S ATOM 0 H CYS A 97 14.396 -9.211 3.812 1.00 0.00 H new ATOM 0 HA CYS A 97 16.155 -8.557 1.655 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.230 -7.895 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.110 -7.867 0.551 1.00 0.00 H new ATOM 1457 N GLU A 98 15.040 -6.110 3.576 1.00 0.00 N ATOM 1458 CA GLU A 98 15.417 -4.748 3.985 1.00 0.00 C ATOM 1459 C GLU A 98 16.912 -4.673 4.273 1.00 0.00 C ATOM 1460 O GLU A 98 17.567 -3.687 3.934 1.00 0.00 O ATOM 1461 CB GLU A 98 14.646 -4.301 5.235 1.00 0.00 C ATOM 1462 CG GLU A 98 13.270 -3.712 4.960 1.00 0.00 C ATOM 1463 CD GLU A 98 13.322 -2.273 4.472 1.00 0.00 C ATOM 1464 OE1 GLU A 98 14.189 -1.506 4.947 1.00 0.00 O ATOM 1465 OE2 GLU A 98 12.468 -1.887 3.646 1.00 0.00 O ATOM 0 H GLU A 98 14.314 -6.544 4.145 1.00 0.00 H new ATOM 0 HA GLU A 98 15.164 -4.082 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.533 -5.157 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 98 15.243 -3.560 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.762 -4.324 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.673 -3.759 5.871 1.00 0.00 H new ATOM 1472 N LYS A 99 17.456 -5.719 4.886 1.00 0.00 N ATOM 1473 CA LYS A 99 18.882 -5.766 5.168 1.00 0.00 C ATOM 1474 C LYS A 99 19.708 -5.921 3.885 1.00 0.00 C ATOM 1475 O LYS A 99 20.726 -5.250 3.706 1.00 0.00 O ATOM 1476 CB LYS A 99 19.182 -6.921 6.125 1.00 0.00 C ATOM 1477 CG LYS A 99 20.660 -7.102 6.412 1.00 0.00 C ATOM 1478 CD LYS A 99 20.916 -8.305 7.302 1.00 0.00 C ATOM 1479 CE LYS A 99 22.404 -8.550 7.482 1.00 0.00 C ATOM 1480 NZ LYS A 99 23.084 -8.807 6.186 1.00 0.00 N ATOM 0 H LYS A 99 16.934 -6.539 5.194 1.00 0.00 H new ATOM 0 HA LYS A 99 19.164 -4.821 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.656 -6.750 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.787 -7.845 5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 99 21.201 -7.222 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.050 -6.205 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.451 -8.146 8.275 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.450 -9.189 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 99 22.858 -7.685 7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.554 -9.401 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.996 -9.276 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.486 -9.420 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 23.247 -7.905 5.695 1.00 0.00 H new ATOM 1494 N SER A 100 19.258 -6.785 2.986 1.00 0.00 N ATOM 1495 CA SER A 100 20.050 -7.154 1.816 1.00 0.00 C ATOM 1496 C SER A 100 19.667 -6.352 0.572 1.00 0.00 C ATOM 1497 O SER A 100 20.133 -6.649 -0.526 1.00 0.00 O ATOM 1498 CB SER A 100 19.886 -8.646 1.535 1.00 0.00 C ATOM 1499 OG SER A 100 20.077 -9.408 2.717 1.00 0.00 O ATOM 0 H SER A 100 18.349 -7.245 3.042 1.00 0.00 H new ATOM 0 HA SER A 100 21.091 -6.923 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.892 -8.837 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.604 -8.958 0.776 1.00 0.00 H new ATOM 0 HG SER A 100 19.276 -9.348 3.278 1.00 0.00 H new ATOM 1505 N ALA A 101 18.818 -5.345 0.739 1.00 0.00 N ATOM 1506 CA ALA A 101 18.423 -4.491 -0.377 1.00 0.00 C ATOM 1507 C ALA A 101 19.630 -3.721 -0.905 1.00 0.00 C ATOM 1508 O ALA A 101 20.563 -3.431 -0.148 1.00 0.00 O ATOM 1509 CB ALA A 101 17.318 -3.526 0.047 1.00 0.00 C ATOM 0 H ALA A 101 18.391 -5.100 1.632 1.00 0.00 H new ATOM 0 HA ALA A 101 18.035 -5.124 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.038 -2.899 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.449 -4.092 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.677 -2.897 0.862 1.00 0.00 H new ATOM 1515 N PRO A 102 19.636 -3.405 -2.211 1.00 0.00 N ATOM 1516 CA PRO A 102 20.720 -2.642 -2.848 1.00 0.00 C ATOM 1517 C PRO A 102 20.959 -1.294 -2.165 1.00 0.00 C ATOM 1518 O PRO A 102 20.121 -0.830 -1.389 1.00 0.00 O ATOM 1519 CB PRO A 102 20.209 -2.435 -4.280 1.00 0.00 C ATOM 1520 CG PRO A 102 19.252 -3.550 -4.503 1.00 0.00 C ATOM 1521 CD PRO A 102 18.589 -3.781 -3.178 1.00 0.00 C ATOM 0 HA PRO A 102 21.676 -3.162 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.721 -1.466 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 102 21.026 -2.464 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.520 -3.292 -5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.768 -4.447 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.695 -3.169 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.282 -4.820 -3.056 1.00 0.00 H new ATOM 1529 N PRO A 103 22.107 -0.645 -2.443 1.00 0.00 N ATOM 1530 CA PRO A 103 22.471 0.654 -1.847 1.00 0.00 C ATOM 1531 C PRO A 103 21.598 1.813 -2.344 1.00 0.00 C ATOM 1532 O PRO A 103 22.081 2.930 -2.548 1.00 0.00 O ATOM 1533 CB PRO A 103 23.931 0.858 -2.289 1.00 0.00 C ATOM 1534 CG PRO A 103 24.384 -0.473 -2.783 1.00 0.00 C ATOM 1535 CD PRO A 103 23.161 -1.134 -3.339 1.00 0.00 C ATOM 0 HA PRO A 103 22.330 0.646 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.003 1.613 -3.072 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.549 1.200 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.154 -0.366 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 103 24.816 -1.064 -1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.979 -0.848 -4.375 1.00 0.00 H new ATOM 0 HD3 PRO A 103 23.241 -2.221 -3.318 1.00 0.00 H new ATOM 1543 N ASN A 104 20.313 1.544 -2.515 1.00 0.00 N ATOM 1544 CA ASN A 104 19.351 2.559 -2.911 1.00 0.00 C ATOM 1545 C ASN A 104 18.598 3.055 -1.690 1.00 0.00 C ATOM 1546 O ASN A 104 17.739 2.350 -1.159 1.00 0.00 O ATOM 1547 CB ASN A 104 18.338 2.001 -3.921 1.00 0.00 C ATOM 1548 CG ASN A 104 18.899 1.795 -5.317 1.00 0.00 C ATOM 1549 OD1 ASN A 104 20.089 1.530 -5.501 1.00 0.00 O ATOM 1550 ND2 ASN A 104 18.033 1.906 -6.315 1.00 0.00 N ATOM 0 H ASN A 104 19.909 0.617 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 104 19.901 3.377 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.959 1.049 -3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 104 17.488 2.681 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.344 1.771 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.056 2.127 -6.121 1.00 0.00 H new ATOM 1557 N ASP A 105 18.928 4.248 -1.227 1.00 0.00 N ATOM 1558 CA ASP A 105 18.188 4.848 -0.129 1.00 0.00 C ATOM 1559 C ASP A 105 16.896 5.426 -0.671 1.00 0.00 C ATOM 1560 O ASP A 105 16.835 6.588 -1.078 1.00 0.00 O ATOM 1561 CB ASP A 105 19.007 5.929 0.581 1.00 0.00 C ATOM 1562 CG ASP A 105 18.237 6.584 1.713 1.00 0.00 C ATOM 1563 OD1 ASP A 105 17.806 5.865 2.639 1.00 0.00 O ATOM 1564 OD2 ASP A 105 18.067 7.823 1.690 1.00 0.00 O ATOM 0 H ASP A 105 19.694 4.816 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 105 17.969 4.078 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 105 19.923 5.488 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 105 19.304 6.689 -0.141 1.00 0.00 H new ATOM 1569 N ASP A 106 15.877 4.589 -0.734 1.00 0.00 N ATOM 1570 CA ASP A 106 14.625 4.982 -1.343 1.00 0.00 C ATOM 1571 C ASP A 106 13.534 5.079 -0.289 1.00 0.00 C ATOM 1572 O ASP A 106 13.016 4.061 0.170 1.00 0.00 O ATOM 1573 CB ASP A 106 14.231 3.983 -2.428 1.00 0.00 C ATOM 1574 CG ASP A 106 13.612 4.665 -3.624 1.00 0.00 C ATOM 1575 OD1 ASP A 106 12.698 5.493 -3.433 1.00 0.00 O ATOM 1576 OD2 ASP A 106 14.031 4.371 -4.762 1.00 0.00 O ATOM 0 H ASP A 106 15.894 3.636 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 106 14.751 5.963 -1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.112 3.425 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.526 3.260 -2.017 1.00 0.00 H new ATOM 1581 N LYS A 107 13.205 6.321 0.065 1.00 0.00 N ATOM 1582 CA LYS A 107 12.272 6.649 1.155 1.00 0.00 C ATOM 1583 C LYS A 107 11.102 5.658 1.290 1.00 0.00 C ATOM 1584 O LYS A 107 11.093 4.829 2.200 1.00 0.00 O ATOM 1585 CB LYS A 107 11.735 8.069 0.946 1.00 0.00 C ATOM 1586 CG LYS A 107 10.700 8.507 1.973 1.00 0.00 C ATOM 1587 CD LYS A 107 10.146 9.881 1.638 1.00 0.00 C ATOM 1588 CE LYS A 107 8.929 10.219 2.485 1.00 0.00 C ATOM 1589 NZ LYS A 107 8.329 11.523 2.096 1.00 0.00 N ATOM 0 H LYS A 107 13.583 7.145 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 107 12.834 6.578 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.571 8.768 0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.293 8.135 -0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.887 7.782 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.152 8.525 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.919 10.633 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.876 9.917 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.184 9.431 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.215 10.250 3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.502 11.718 2.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.032 12.279 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.032 11.485 1.100 1.00 0.00 H new ATOM 1603 N CYS A 108 10.116 5.746 0.405 1.00 0.00 N ATOM 1604 CA CYS A 108 8.947 4.878 0.496 1.00 0.00 C ATOM 1605 C CYS A 108 9.085 3.630 -0.386 1.00 0.00 C ATOM 1606 O CYS A 108 8.368 2.650 -0.193 1.00 0.00 O ATOM 1607 CB CYS A 108 7.697 5.684 0.106 1.00 0.00 C ATOM 1608 SG CYS A 108 6.101 4.866 0.431 1.00 0.00 S ATOM 0 H CYS A 108 10.101 6.402 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 108 8.857 4.525 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.715 6.632 0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.755 5.919 -0.957 1.00 0.00 H new ATOM 1613 N MET A 109 10.031 3.637 -1.325 1.00 0.00 N ATOM 1614 CA MET A 109 10.064 2.609 -2.361 1.00 0.00 C ATOM 1615 C MET A 109 10.819 1.339 -1.931 1.00 0.00 C ATOM 1616 O MET A 109 10.619 0.239 -2.480 1.00 0.00 O ATOM 1617 CB MET A 109 10.695 3.159 -3.632 1.00 0.00 C ATOM 1618 CG MET A 109 9.755 3.170 -4.816 1.00 0.00 C ATOM 1619 SD MET A 109 9.206 1.521 -5.284 1.00 0.00 S ATOM 1620 CE MET A 109 10.758 0.775 -5.777 1.00 0.00 C ATOM 0 H MET A 109 10.774 4.333 -1.389 1.00 0.00 H new ATOM 0 HA MET A 109 9.027 2.327 -2.542 1.00 0.00 H new ATOM 0 HB2 MET A 109 11.043 4.175 -3.445 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.572 2.562 -3.880 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.886 3.784 -4.579 1.00 0.00 H new ATOM 0 HG3 MET A 109 10.253 3.637 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.608 0.189 -6.684 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.493 1.557 -5.968 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.118 0.125 -4.980 1.00 0.00 H new ATOM 1630 N LYS A 110 11.701 1.495 -0.958 1.00 0.00 N ATOM 1631 CA LYS A 110 12.560 0.387 -0.522 1.00 0.00 C ATOM 1632 C LYS A 110 11.705 -0.777 -0.033 1.00 0.00 C ATOM 1633 O LYS A 110 11.992 -1.950 -0.282 1.00 0.00 O ATOM 1634 CB LYS A 110 13.555 0.838 0.565 1.00 0.00 C ATOM 1635 CG LYS A 110 13.048 0.798 2.005 1.00 0.00 C ATOM 1636 CD LYS A 110 11.950 1.809 2.286 1.00 0.00 C ATOM 1637 CE LYS A 110 11.556 1.789 3.756 1.00 0.00 C ATOM 1638 NZ LYS A 110 11.164 0.425 4.215 1.00 0.00 N ATOM 0 H LYS A 110 11.847 2.369 -0.453 1.00 0.00 H new ATOM 0 HA LYS A 110 13.147 0.054 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 110 14.443 0.210 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 110 13.868 1.858 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.675 -0.203 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 110 13.883 0.982 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.290 2.807 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.079 1.587 1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.390 2.148 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.726 2.477 3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.871 0.465 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.373 0.078 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.974 -0.220 4.118 1.00 0.00 H new ATOM 1652 N THR A 111 10.638 -0.412 0.647 1.00 0.00 N ATOM 1653 CA THR A 111 9.630 -1.324 1.118 1.00 0.00 C ATOM 1654 C THR A 111 9.021 -2.161 -0.022 1.00 0.00 C ATOM 1655 O THR A 111 8.451 -3.228 0.221 1.00 0.00 O ATOM 1656 CB THR A 111 8.568 -0.464 1.836 1.00 0.00 C ATOM 1657 OG1 THR A 111 8.579 -0.725 3.244 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.163 -0.637 1.263 1.00 0.00 C ATOM 0 H THR A 111 10.447 0.560 0.892 1.00 0.00 H new ATOM 0 HA THR A 111 10.063 -2.056 1.800 1.00 0.00 H new ATOM 0 HB THR A 111 8.842 0.577 1.662 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.446 0.114 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.466 -0.005 1.813 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.161 -0.350 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 111 6.858 -1.679 1.355 1.00 0.00 H new ATOM 1666 N ILE A 112 9.210 -1.734 -1.269 1.00 0.00 N ATOM 1667 CA ILE A 112 8.653 -2.459 -2.385 1.00 0.00 C ATOM 1668 C ILE A 112 9.677 -3.467 -2.863 1.00 0.00 C ATOM 1669 O ILE A 112 9.330 -4.589 -3.234 1.00 0.00 O ATOM 1670 CB ILE A 112 8.223 -1.536 -3.543 1.00 0.00 C ATOM 1671 CG1 ILE A 112 6.859 -0.895 -3.267 1.00 0.00 C ATOM 1672 CG2 ILE A 112 8.190 -2.291 -4.861 1.00 0.00 C ATOM 1673 CD1 ILE A 112 6.837 0.014 -2.065 1.00 0.00 C ATOM 0 H ILE A 112 9.739 -0.899 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 112 7.747 -2.962 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 112 8.966 -0.742 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.553 -0.326 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.121 -1.684 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.884 -1.616 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.183 -2.685 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.480 -3.115 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.836 0.427 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.110 -0.553 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.549 0.827 -2.210 1.00 0.00 H new ATOM 1685 N ASP A 113 10.955 -3.073 -2.817 1.00 0.00 N ATOM 1686 CA ASP A 113 12.036 -3.991 -3.172 1.00 0.00 C ATOM 1687 C ASP A 113 11.998 -5.223 -2.272 1.00 0.00 C ATOM 1688 O ASP A 113 12.223 -6.343 -2.728 1.00 0.00 O ATOM 1689 CB ASP A 113 13.413 -3.318 -3.073 1.00 0.00 C ATOM 1690 CG ASP A 113 14.527 -4.196 -3.619 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.786 -4.145 -4.842 1.00 0.00 O ATOM 1692 OD2 ASP A 113 15.156 -4.929 -2.831 1.00 0.00 O ATOM 0 H ASP A 113 11.260 -2.139 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 113 11.883 -4.290 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.394 -2.376 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 113 13.622 -3.076 -2.031 1.00 0.00 H new ATOM 1697 N VAL A 114 11.659 -5.020 -0.998 1.00 0.00 N ATOM 1698 CA VAL A 114 11.630 -6.110 -0.051 1.00 0.00 C ATOM 1699 C VAL A 114 10.320 -6.899 -0.199 1.00 0.00 C ATOM 1700 O VAL A 114 10.273 -8.117 -0.010 1.00 0.00 O ATOM 1701 CB VAL A 114 11.820 -5.588 1.386 1.00 0.00 C ATOM 1702 CG1 VAL A 114 13.010 -4.650 1.441 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.582 -4.900 1.901 1.00 0.00 C ATOM 0 H VAL A 114 11.404 -4.112 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 114 12.458 -6.787 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 114 12.006 -6.446 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 114 13.139 -4.285 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.908 -5.184 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.840 -3.807 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.758 -4.547 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.343 -4.052 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.748 -5.602 1.900 1.00 0.00 H new ATOM 1713 N ALA A 115 9.259 -6.190 -0.568 1.00 0.00 N ATOM 1714 CA ALA A 115 7.971 -6.821 -0.869 1.00 0.00 C ATOM 1715 C ALA A 115 8.065 -7.750 -2.075 1.00 0.00 C ATOM 1716 O ALA A 115 7.615 -8.903 -2.029 1.00 0.00 O ATOM 1717 CB ALA A 115 6.911 -5.767 -1.113 1.00 0.00 C ATOM 0 H ALA A 115 9.262 -5.175 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 115 7.692 -7.421 -0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.960 -6.252 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.803 -5.147 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.206 -5.143 -1.957 1.00 0.00 H new ATOM 1723 N MET A 116 8.652 -7.259 -3.163 1.00 0.00 N ATOM 1724 CA MET A 116 8.838 -8.105 -4.344 1.00 0.00 C ATOM 1725 C MET A 116 9.877 -9.192 -4.062 1.00 0.00 C ATOM 1726 O MET A 116 9.973 -10.186 -4.781 1.00 0.00 O ATOM 1727 CB MET A 116 9.159 -7.312 -5.634 1.00 0.00 C ATOM 1728 CG MET A 116 10.332 -6.342 -5.578 1.00 0.00 C ATOM 1729 SD MET A 116 10.650 -5.579 -7.183 1.00 0.00 S ATOM 1730 CE MET A 116 11.889 -4.364 -6.742 1.00 0.00 C ATOM 0 H MET A 116 9.000 -6.305 -3.255 1.00 0.00 H new ATOM 0 HA MET A 116 7.879 -8.584 -4.543 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.350 -8.029 -6.433 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.269 -6.750 -5.916 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.126 -5.566 -4.841 1.00 0.00 H new ATOM 0 HG3 MET A 116 11.225 -6.870 -5.244 1.00 0.00 H new ATOM 0 HE1 MET A 116 12.328 -3.947 -7.648 1.00 0.00 H new ATOM 0 HE2 MET A 116 11.426 -3.566 -6.162 1.00 0.00 H new ATOM 0 HE3 MET A 116 12.669 -4.839 -6.147 1.00 0.00 H new ATOM 1740 N CYS A 117 10.605 -9.018 -2.970 1.00 0.00 N ATOM 1741 CA CYS A 117 11.541 -10.019 -2.488 1.00 0.00 C ATOM 1742 C CYS A 117 10.774 -11.188 -1.868 1.00 0.00 C ATOM 1743 O CYS A 117 11.184 -12.345 -1.954 1.00 0.00 O ATOM 1744 CB CYS A 117 12.489 -9.356 -1.482 1.00 0.00 C ATOM 1745 SG CYS A 117 13.781 -10.426 -0.774 1.00 0.00 S ATOM 0 H CYS A 117 10.563 -8.178 -2.393 1.00 0.00 H new ATOM 0 HA CYS A 117 12.134 -10.421 -3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 117 12.973 -8.512 -1.972 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.893 -8.951 -0.664 1.00 0.00 H new ATOM 1750 N PHE A 118 9.630 -10.868 -1.290 1.00 0.00 N ATOM 1751 CA PHE A 118 8.753 -11.870 -0.704 1.00 0.00 C ATOM 1752 C PHE A 118 8.012 -12.682 -1.768 1.00 0.00 C ATOM 1753 O PHE A 118 7.967 -13.909 -1.669 1.00 0.00 O ATOM 1754 CB PHE A 118 7.755 -11.230 0.279 1.00 0.00 C ATOM 1755 CG PHE A 118 6.758 -12.199 0.867 1.00 0.00 C ATOM 1756 CD1 PHE A 118 7.160 -13.180 1.763 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.415 -12.133 0.516 1.00 0.00 C ATOM 1758 CE1 PHE A 118 6.247 -14.070 2.294 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.501 -13.023 1.045 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.917 -13.993 1.935 1.00 0.00 C ATOM 0 H PHE A 118 9.283 -9.912 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 118 9.390 -12.560 -0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.312 -10.761 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.213 -10.436 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.199 -13.248 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 118 5.082 -11.376 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.575 -14.827 2.991 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.461 -12.960 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 118 4.203 -14.690 2.349 1.00 0.00 H new ATOM 1770 N LYS A 119 7.415 -12.040 -2.783 1.00 0.00 N ATOM 1771 CA LYS A 119 6.688 -12.832 -3.781 1.00 0.00 C ATOM 1772 C LYS A 119 7.668 -13.648 -4.621 1.00 0.00 C ATOM 1773 O LYS A 119 7.305 -14.676 -5.188 1.00 0.00 O ATOM 1774 CB LYS A 119 5.712 -12.011 -4.655 1.00 0.00 C ATOM 1775 CG LYS A 119 6.212 -11.648 -6.050 1.00 0.00 C ATOM 1776 CD LYS A 119 7.179 -10.481 -6.042 1.00 0.00 C ATOM 1777 CE LYS A 119 7.722 -10.199 -7.437 1.00 0.00 C ATOM 1778 NZ LYS A 119 6.657 -9.779 -8.387 1.00 0.00 N ATOM 0 H LYS A 119 7.418 -11.031 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 119 6.044 -13.515 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.785 -12.575 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.468 -11.090 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.701 -12.516 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.360 -11.404 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.676 -9.593 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.006 -10.696 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.480 -9.418 -7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.214 -11.093 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.091 -9.469 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.020 -10.580 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.114 -8.993 -7.975 1.00 0.00 H new ATOM 1792 N LYS A 120 8.915 -13.188 -4.695 1.00 0.00 N ATOM 1793 CA LYS A 120 9.991 -13.999 -5.216 1.00 0.00 C ATOM 1794 C LYS A 120 10.101 -15.305 -4.428 1.00 0.00 C ATOM 1795 O LYS A 120 10.055 -16.398 -4.999 1.00 0.00 O ATOM 1796 CB LYS A 120 11.262 -13.191 -5.108 1.00 0.00 C ATOM 1797 CG LYS A 120 12.527 -14.001 -5.133 1.00 0.00 C ATOM 1798 CD LYS A 120 13.697 -13.065 -5.068 1.00 0.00 C ATOM 1799 CE LYS A 120 13.619 -12.162 -3.843 1.00 0.00 C ATOM 1800 NZ LYS A 120 14.930 -11.527 -3.542 1.00 0.00 N ATOM 0 H LYS A 120 9.197 -12.254 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 120 9.806 -14.265 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.290 -12.473 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 120 11.233 -12.616 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.549 -14.693 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.573 -14.602 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.623 -13.639 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.727 -12.455 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.870 -11.388 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.291 -12.744 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.879 -11.045 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.670 -12.257 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.159 -10.835 -4.284 1.00 0.00 H new ATOM 1814 N GLU A 121 10.221 -15.173 -3.111 1.00 0.00 N ATOM 1815 CA GLU A 121 10.282 -16.336 -2.224 1.00 0.00 C ATOM 1816 C GLU A 121 9.042 -17.230 -2.341 1.00 0.00 C ATOM 1817 O GLU A 121 9.179 -18.447 -2.479 1.00 0.00 O ATOM 1818 CB GLU A 121 10.469 -15.903 -0.770 1.00 0.00 C ATOM 1819 CG GLU A 121 11.830 -15.294 -0.480 1.00 0.00 C ATOM 1820 CD GLU A 121 12.973 -16.187 -0.909 1.00 0.00 C ATOM 1821 OE1 GLU A 121 13.356 -17.083 -0.127 1.00 0.00 O ATOM 1822 OE2 GLU A 121 13.506 -15.984 -2.018 1.00 0.00 O ATOM 0 H GLU A 121 10.278 -14.274 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 121 11.144 -16.922 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.696 -15.179 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.323 -16.767 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.911 -14.336 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.913 -15.092 0.588 1.00 0.00 H new ATOM 1829 N ILE A 122 7.833 -16.653 -2.283 1.00 0.00 N ATOM 1830 CA ILE A 122 6.616 -17.445 -2.410 1.00 0.00 C ATOM 1831 C ILE A 122 6.595 -18.196 -3.740 1.00 0.00 C ATOM 1832 O ILE A 122 6.026 -19.285 -3.843 1.00 0.00 O ATOM 1833 CB ILE A 122 5.333 -16.589 -2.253 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.176 -17.476 -1.813 1.00 0.00 C ATOM 1835 CG2 ILE A 122 4.948 -15.898 -3.541 1.00 0.00 C ATOM 1836 CD1 ILE A 122 2.914 -16.715 -1.466 1.00 0.00 C ATOM 0 H ILE A 122 7.679 -15.653 -2.151 1.00 0.00 H new ATOM 0 HA ILE A 122 6.624 -18.167 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 122 5.544 -15.825 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.953 -18.186 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.487 -18.058 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.044 -15.310 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.758 -15.240 -3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.765 -16.645 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.138 -17.417 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.119 -16.025 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 122 2.576 -16.155 -2.338 1.00 0.00 H new ATOM 1848 N HIS A 123 7.226 -17.619 -4.761 1.00 0.00 N ATOM 1849 CA HIS A 123 7.310 -18.279 -6.055 1.00 0.00 C ATOM 1850 C HIS A 123 8.254 -19.481 -6.024 1.00 0.00 C ATOM 1851 O HIS A 123 8.023 -20.466 -6.722 1.00 0.00 O ATOM 1852 CB HIS A 123 7.737 -17.299 -7.148 1.00 0.00 C ATOM 1853 CG HIS A 123 6.595 -16.529 -7.736 1.00 0.00 C ATOM 1854 ND1 HIS A 123 5.503 -15.983 -7.154 1.00 0.00 N flip ATOM 1855 CD2 HIS A 123 6.490 -16.247 -9.082 1.00 0.00 C flip ATOM 1856 CE1 HIS A 123 4.765 -15.386 -8.145 1.00 0.00 C flip ATOM 1857 NE2 HIS A 123 5.386 -15.558 -9.299 1.00 0.00 N flip ATOM 0 H HIS A 123 7.680 -16.707 -4.716 1.00 0.00 H new ATOM 0 HA HIS A 123 6.310 -18.646 -6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.463 -16.599 -6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.242 -17.849 -7.942 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.200 -16.544 -9.840 1.00 0.00 H new ATOM 0 HE1 HIS A 123 3.831 -14.862 -8.005 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.066 -15.216 -10.205 1.00 0.00 H new ATOM 1866 N LYS A 124 9.305 -19.413 -5.207 1.00 0.00 N ATOM 1867 CA LYS A 124 10.207 -20.544 -5.030 1.00 0.00 C ATOM 1868 C LYS A 124 9.487 -21.668 -4.291 1.00 0.00 C ATOM 1869 O LYS A 124 9.723 -22.853 -4.536 1.00 0.00 O ATOM 1870 CB LYS A 124 11.454 -20.104 -4.253 1.00 0.00 C ATOM 1871 CG LYS A 124 12.541 -21.167 -4.124 1.00 0.00 C ATOM 1872 CD LYS A 124 13.166 -21.516 -5.468 1.00 0.00 C ATOM 1873 CE LYS A 124 12.382 -22.596 -6.199 1.00 0.00 C ATOM 1874 NZ LYS A 124 12.930 -22.860 -7.554 1.00 0.00 N ATOM 0 H LYS A 124 9.550 -18.588 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 124 10.519 -20.911 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.879 -19.228 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.150 -19.793 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.317 -20.811 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.116 -22.066 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 124 13.215 -20.621 -6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.191 -21.854 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.401 -23.516 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.338 -22.293 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.367 -23.602 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.889 -21.989 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.918 -23.174 -7.474 1.00 0.00 H new ATOM 1888 N LEU A 125 8.598 -21.281 -3.391 1.00 0.00 N ATOM 1889 CA LEU A 125 7.765 -22.239 -2.672 1.00 0.00 C ATOM 1890 C LEU A 125 6.793 -22.958 -3.615 1.00 0.00 C ATOM 1891 O LEU A 125 6.558 -24.155 -3.453 1.00 0.00 O ATOM 1892 CB LEU A 125 6.979 -21.531 -1.565 1.00 0.00 C ATOM 1893 CG LEU A 125 7.826 -20.740 -0.565 1.00 0.00 C ATOM 1894 CD1 LEU A 125 6.938 -20.080 0.480 1.00 0.00 C ATOM 1895 CD2 LEU A 125 8.852 -21.645 0.102 1.00 0.00 C ATOM 0 H LEU A 125 8.432 -20.307 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 125 8.426 -22.985 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.264 -20.851 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.402 -22.277 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 125 8.359 -19.960 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.556 -19.522 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.242 -19.399 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.378 -20.845 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 125 9.444 -21.064 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 125 8.339 -22.448 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.508 -22.072 -0.656 1.00 0.00 H new