USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1087 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 10 SER OG : rot 180:sc= 1.08 USER MOD Set 1.2: B 98 LYS NZ :NH3+ 153:sc= 2.37 (180deg=0.92) USER MOD Set 2.1: B 88 SER OG : rot 158:sc= 0.0292 USER MOD Set 2.2: B 93 ASN :FLIP amide:sc= 0.295 F(o=-8.2,f=-3.5) USER MOD Set 2.3: B 97 GLN :FLIP amide:sc= -3.8! C(o=-7.6!,f=-3.5!) USER MOD Set 3.1: B 81 SER OG : rot 180:sc= 0.0281 USER MOD Set 3.2: B 82 SER OG : rot 34:sc= 0.237 USER MOD Set 4.1: B 72 HIS : no HE2:sc= 0.802 K(o=-0.25,f=-5.2!) USER MOD Set 4.2: B 116 ASN : amide:sc= -1.05 K(o=-0.25,f=-2.5!) USER MOD Set 5.1: B 67 ASN : amide:sc= 1.91 K(o=4,f=-4.3!) USER MOD Set 5.2: B 70 LYS NZ :NH3+ 160:sc= 2.1 (180deg=0.111) USER MOD Set 6.1: B 54 TYR OH : rot 30:sc= 0.178 USER MOD Set 6.2: B 61 GLN :FLIP amide:sc= 0.837 F(o=0.1,f=1) USER MOD Set 7.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 7.2: B 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0868 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -159:sc= -0.167 (180deg=-0.743) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0144 F(o=-1.1,f=-0.014) USER MOD Single : A 9 ASN : amide:sc= 2.6 K(o=2.6,f=-9.9!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.045 F(o=-0.89,f=-0.045) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 77:sc= 1.27 USER MOD Single : A 31 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.27) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0615 F(o=-0.81,f=-0.062) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc=-0.00428 (180deg=-0.119) USER MOD Single : B 41 MET CE :methyl -139:sc= -0.1 (180deg=-1.27) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 LYS NZ :NH3+ -168:sc= 0.733 (180deg=0.66) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.0057 USER MOD Single : B 46 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.196) USER MOD Single : B 47 THR OG1 : rot 116:sc= 1.22 USER MOD Single : B 48 LYS NZ :NH3+ 160:sc= 1.3 (180deg=1.1) USER MOD Single : B 55 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.94) USER MOD Single : B 56 ASN : amide:sc= 1.23 K(o=1.2,f=-0.16) USER MOD Single : B 57 SER OG : rot 85:sc= 0.543 USER MOD Single : B 65 LYS NZ :NH3+ -164:sc= -0.0316 (180deg=-0.309) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN :FLIP amide:sc= -0.333 F(o=-2.5!,f=-0.33) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 LYS NZ :NH3+ 163:sc= -0.103 (180deg=-0.383) USER MOD Single : B 92 MET CE :methyl -140:sc= -0.59 (180deg=-2.54!) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD Single : B 103 ASN : amide:sc= 0.9 K(o=0.9,f=-0.15) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.844 K(o=-0.84,f=-2.5) USER MOD Single : B 107 THR OG1 : rot -6:sc= 1.15 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 63:sc= 1.28 USER MOD Single : B 124 GLN : amide:sc= 0.768 K(o=0.77,f=-1.1) USER MOD Single : B 129 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.15) USER MOD Single : B 131 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0077) USER MOD Single : B 134 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0552) USER MOD Single : B 135 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.356 -6.534 -25.206 1.00 0.00 N ATOM 2 CA GLY A 1 11.239 -7.021 -24.369 1.00 0.00 C ATOM 3 C GLY A 1 10.453 -5.879 -23.768 1.00 0.00 C ATOM 4 O GLY A 1 10.948 -4.752 -23.708 1.00 0.00 O ATOM 0 H1 GLY A 1 12.122 -6.669 -26.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.514 -5.523 -25.020 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.219 -7.067 -24.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.576 -7.642 -24.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.630 -7.653 -23.572 1.00 0.00 H new ATOM 10 N PRO A 2 9.224 -6.138 -23.299 1.00 0.00 N ATOM 11 CA PRO A 2 8.347 -5.099 -22.746 1.00 0.00 C ATOM 12 C PRO A 2 8.735 -4.676 -21.329 1.00 0.00 C ATOM 13 O PRO A 2 7.957 -4.019 -20.636 1.00 0.00 O ATOM 14 CB PRO A 2 6.977 -5.774 -22.746 1.00 0.00 C ATOM 15 CG PRO A 2 7.272 -7.224 -22.586 1.00 0.00 C ATOM 16 CD PRO A 2 8.582 -7.466 -23.287 1.00 0.00 C ATOM 0 HA PRO A 2 8.395 -4.178 -23.326 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.353 -5.404 -21.932 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.439 -5.579 -23.674 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.339 -7.494 -21.532 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.479 -7.833 -23.021 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.190 -8.200 -22.757 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.431 -7.847 -24.297 1.00 0.00 H new ATOM 24 N HIS A 3 9.948 -5.048 -20.916 1.00 0.00 N ATOM 25 CA HIS A 3 10.464 -4.728 -19.586 1.00 0.00 C ATOM 26 C HIS A 3 9.607 -5.372 -18.497 1.00 0.00 C ATOM 27 O HIS A 3 8.721 -6.177 -18.785 1.00 0.00 O ATOM 28 CB HIS A 3 10.546 -3.211 -19.390 1.00 0.00 C ATOM 29 CG HIS A 3 11.468 -2.545 -20.364 1.00 0.00 C ATOM 30 ND1 HIS A 3 12.815 -2.384 -20.137 1.00 0.00 N ATOM 31 CD2 HIS A 3 11.232 -2.022 -21.589 1.00 0.00 C ATOM 32 CE1 HIS A 3 13.367 -1.797 -21.182 1.00 0.00 C ATOM 33 NE2 HIS A 3 12.427 -1.563 -22.078 1.00 0.00 N ATOM 0 H HIS A 3 10.599 -5.579 -21.494 1.00 0.00 H new ATOM 0 HA HIS A 3 11.471 -5.138 -19.505 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.549 -2.783 -19.491 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.883 -2.999 -18.375 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.276 -1.975 -22.090 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.413 -1.550 -21.286 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.567 -1.115 -22.984 1.00 0.00 H new ATOM 42 N MET A 4 9.884 -5.035 -17.251 1.00 0.00 N ATOM 43 CA MET A 4 9.174 -5.629 -16.129 1.00 0.00 C ATOM 44 C MET A 4 8.910 -4.584 -15.057 1.00 0.00 C ATOM 45 O MET A 4 9.167 -3.399 -15.262 1.00 0.00 O ATOM 46 CB MET A 4 9.982 -6.791 -15.542 1.00 0.00 C ATOM 47 CG MET A 4 11.339 -6.377 -14.990 1.00 0.00 C ATOM 48 SD MET A 4 12.262 -7.764 -14.301 1.00 0.00 S ATOM 49 CE MET A 4 11.148 -8.291 -12.999 1.00 0.00 C ATOM 0 H MET A 4 10.596 -4.353 -16.988 1.00 0.00 H new ATOM 0 HA MET A 4 8.219 -6.012 -16.489 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.403 -7.258 -14.745 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.129 -7.546 -16.314 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.925 -5.915 -15.785 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.197 -5.621 -14.218 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.702 -8.867 -12.258 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.706 -7.416 -12.522 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.358 -8.910 -13.424 1.00 0.00 H new ATOM 59 N PHE A 5 8.384 -5.015 -13.925 1.00 0.00 N ATOM 60 CA PHE A 5 8.176 -4.118 -12.803 1.00 0.00 C ATOM 61 C PHE A 5 9.465 -3.975 -12.007 1.00 0.00 C ATOM 62 O PHE A 5 10.197 -4.946 -11.807 1.00 0.00 O ATOM 63 CB PHE A 5 7.036 -4.620 -11.922 1.00 0.00 C ATOM 64 CG PHE A 5 5.725 -4.675 -12.652 1.00 0.00 C ATOM 65 CD1 PHE A 5 4.959 -3.532 -12.811 1.00 0.00 C ATOM 66 CD2 PHE A 5 5.269 -5.865 -13.195 1.00 0.00 C ATOM 67 CE1 PHE A 5 3.761 -3.575 -13.496 1.00 0.00 C ATOM 68 CE2 PHE A 5 4.072 -5.913 -13.883 1.00 0.00 C ATOM 69 CZ PHE A 5 3.317 -4.767 -14.033 1.00 0.00 C ATOM 0 H PHE A 5 8.094 -5.978 -13.758 1.00 0.00 H new ATOM 0 HA PHE A 5 7.896 -3.135 -13.181 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.281 -5.614 -11.548 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.938 -3.968 -11.054 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.303 -2.597 -12.395 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.855 -6.765 -13.079 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.172 -2.677 -13.612 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.727 -6.846 -14.303 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.380 -4.803 -14.570 1.00 0.00 H new ATOM 79 N ALA A 6 9.736 -2.760 -11.564 1.00 0.00 N ATOM 80 CA ALA A 6 10.995 -2.443 -10.915 1.00 0.00 C ATOM 81 C ALA A 6 10.855 -2.506 -9.402 1.00 0.00 C ATOM 82 O ALA A 6 9.746 -2.588 -8.868 1.00 0.00 O ATOM 83 CB ALA A 6 11.466 -1.068 -11.355 1.00 0.00 C ATOM 0 H ALA A 6 9.095 -1.971 -11.643 1.00 0.00 H new ATOM 0 HA ALA A 6 11.739 -3.183 -11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.411 -0.833 -10.866 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.605 -1.060 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.720 -0.322 -11.079 1.00 0.00 H new ATOM 89 N ASN A 7 11.991 -2.444 -8.715 1.00 0.00 N ATOM 90 CA ASN A 7 12.036 -2.669 -7.272 1.00 0.00 C ATOM 91 C ASN A 7 11.502 -1.473 -6.501 1.00 0.00 C ATOM 92 O ASN A 7 11.498 -1.471 -5.271 1.00 0.00 O ATOM 93 CB ASN A 7 13.458 -3.003 -6.813 1.00 0.00 C ATOM 94 CG ASN A 7 14.047 -4.188 -7.548 1.00 0.00 C ATOM 95 OD1 ASN A 7 13.194 -5.010 -8.135 1.00 0.00 O flip ATOM 96 ND2 ASN A 7 15.266 -4.348 -7.617 1.00 0.00 N flip ATOM 0 H ASN A 7 12.897 -2.239 -9.135 1.00 0.00 H new ATOM 0 HA ASN A 7 11.391 -3.522 -7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 7 14.097 -2.133 -6.963 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.450 -3.212 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.894 -3.693 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 7 15.648 -5.136 -8.140 1.00 0.00 H new ATOM 103 N GLU A 8 11.050 -0.462 -7.233 1.00 0.00 N ATOM 104 CA GLU A 8 10.321 0.651 -6.642 1.00 0.00 C ATOM 105 C GLU A 8 9.124 0.126 -5.863 1.00 0.00 C ATOM 106 O GLU A 8 8.800 0.626 -4.789 1.00 0.00 O ATOM 107 CB GLU A 8 9.847 1.613 -7.732 1.00 0.00 C ATOM 108 CG GLU A 8 9.223 0.904 -8.922 1.00 0.00 C ATOM 109 CD GLU A 8 8.751 1.852 -9.999 1.00 0.00 C ATOM 110 OE1 GLU A 8 9.585 2.598 -10.548 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 7.542 1.846 -10.309 1.00 0.00 O ATOM 0 H GLU A 8 11.177 -0.391 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 8 10.986 1.187 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.120 2.305 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.692 2.210 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.951 0.214 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.379 0.305 -8.579 1.00 0.00 H new ATOM 118 N ASN A 9 8.495 -0.914 -6.410 1.00 0.00 N ATOM 119 CA ASN A 9 7.321 -1.524 -5.798 1.00 0.00 C ATOM 120 C ASN A 9 7.649 -2.073 -4.421 1.00 0.00 C ATOM 121 O ASN A 9 6.793 -2.107 -3.545 1.00 0.00 O ATOM 122 CB ASN A 9 6.771 -2.647 -6.677 1.00 0.00 C ATOM 123 CG ASN A 9 6.202 -2.146 -7.985 1.00 0.00 C ATOM 124 OD1 ASN A 9 5.026 -1.806 -8.073 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.032 -2.101 -9.013 1.00 0.00 N ATOM 0 H ASN A 9 8.785 -1.353 -7.284 1.00 0.00 H new ATOM 0 HA ASN A 9 6.563 -0.747 -5.697 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.567 -3.363 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.995 -3.182 -6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.702 -1.775 -9.921 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.003 -2.393 -8.898 1.00 0.00 H new ATOM 132 N SER A 10 8.894 -2.486 -4.227 1.00 0.00 N ATOM 133 CA SER A 10 9.320 -3.023 -2.949 1.00 0.00 C ATOM 134 C SER A 10 9.269 -1.935 -1.878 1.00 0.00 C ATOM 135 O SER A 10 9.039 -2.219 -0.701 1.00 0.00 O ATOM 136 CB SER A 10 10.729 -3.613 -3.057 1.00 0.00 C ATOM 137 OG SER A 10 11.090 -4.300 -1.872 1.00 0.00 O ATOM 0 H SER A 10 9.623 -2.458 -4.939 1.00 0.00 H new ATOM 0 HA SER A 10 8.639 -3.824 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.776 -4.296 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.446 -2.815 -3.251 1.00 0.00 H new ATOM 0 HG SER A 10 11.993 -4.668 -1.969 1.00 0.00 H new ATOM 143 N GLN A 11 9.442 -0.684 -2.301 1.00 0.00 N ATOM 144 CA GLN A 11 9.378 0.445 -1.388 1.00 0.00 C ATOM 145 C GLN A 11 7.924 0.733 -1.055 1.00 0.00 C ATOM 146 O GLN A 11 7.594 1.115 0.066 1.00 0.00 O ATOM 147 CB GLN A 11 10.034 1.681 -2.010 1.00 0.00 C ATOM 148 CG GLN A 11 11.476 1.457 -2.444 1.00 0.00 C ATOM 149 CD GLN A 11 12.393 1.061 -1.299 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.110 1.555 -0.105 1.00 0.00 O flip ATOM 151 NE2 GLN A 11 13.359 0.325 -1.494 1.00 0.00 N flip ATOM 0 H GLN A 11 9.627 -0.431 -3.272 1.00 0.00 H new ATOM 0 HA GLN A 11 9.921 0.199 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.449 1.996 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.004 2.499 -1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.502 0.679 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.855 2.369 -2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.544 -0.036 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.975 0.076 -0.720 1.00 0.00 H new ATOM 160 N LEU A 12 7.062 0.536 -2.051 1.00 0.00 N ATOM 161 CA LEU A 12 5.617 0.630 -1.866 1.00 0.00 C ATOM 162 C LEU A 12 5.166 -0.328 -0.776 1.00 0.00 C ATOM 163 O LEU A 12 4.440 0.048 0.142 1.00 0.00 O ATOM 164 CB LEU A 12 4.876 0.281 -3.168 1.00 0.00 C ATOM 165 CG LEU A 12 4.749 1.397 -4.211 1.00 0.00 C ATOM 166 CD1 LEU A 12 3.914 2.531 -3.658 1.00 0.00 C ATOM 167 CD2 LEU A 12 6.106 1.906 -4.656 1.00 0.00 C ATOM 0 H LEU A 12 7.345 0.308 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 12 5.382 1.656 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.386 -0.563 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.873 -0.057 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 12 4.253 0.981 -5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.829 3.319 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.920 2.162 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.390 2.930 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.974 2.696 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.647 2.301 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.675 1.088 -5.097 1.00 0.00 H new ATOM 179 N LEU A 13 5.629 -1.566 -0.890 1.00 0.00 N ATOM 180 CA LEU A 13 5.216 -2.640 0.000 1.00 0.00 C ATOM 181 C LEU A 13 5.538 -2.314 1.448 1.00 0.00 C ATOM 182 O LEU A 13 4.655 -2.334 2.300 1.00 0.00 O ATOM 183 CB LEU A 13 5.909 -3.941 -0.391 1.00 0.00 C ATOM 184 CG LEU A 13 5.853 -4.284 -1.876 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.504 -5.626 -2.127 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.421 -4.264 -2.389 1.00 0.00 C ATOM 0 H LEU A 13 6.301 -1.852 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 13 4.136 -2.753 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.954 -3.883 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.458 -4.758 0.172 1.00 0.00 H new ATOM 0 HG LEU A 13 6.408 -3.524 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.458 -5.860 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.546 -5.590 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.978 -6.397 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.411 -4.512 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.828 -4.995 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.997 -3.270 -2.245 1.00 0.00 H new ATOM 198 N ASP A 14 6.800 -2.004 1.719 1.00 0.00 N ATOM 199 CA ASP A 14 7.233 -1.725 3.084 1.00 0.00 C ATOM 200 C ASP A 14 6.594 -0.450 3.611 1.00 0.00 C ATOM 201 O ASP A 14 6.341 -0.327 4.807 1.00 0.00 O ATOM 202 CB ASP A 14 8.758 -1.637 3.175 1.00 0.00 C ATOM 203 CG ASP A 14 9.412 -3.001 3.109 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.257 -3.790 4.069 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 10.071 -3.306 2.094 1.00 0.00 O ATOM 0 H ASP A 14 7.538 -1.940 1.017 1.00 0.00 H new ATOM 0 HA ASP A 14 6.904 -2.556 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.134 -1.015 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.037 -1.146 4.107 1.00 0.00 H new ATOM 210 N PHE A 15 6.316 0.487 2.715 1.00 0.00 N ATOM 211 CA PHE A 15 5.637 1.721 3.084 1.00 0.00 C ATOM 212 C PHE A 15 4.232 1.412 3.592 1.00 0.00 C ATOM 213 O PHE A 15 3.885 1.737 4.726 1.00 0.00 O ATOM 214 CB PHE A 15 5.579 2.667 1.883 1.00 0.00 C ATOM 215 CG PHE A 15 4.996 4.013 2.191 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.756 4.984 2.823 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.690 4.314 1.839 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.227 6.229 3.097 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.154 5.557 2.113 1.00 0.00 C ATOM 220 CZ PHE A 15 3.923 6.516 2.743 1.00 0.00 C ATOM 0 H PHE A 15 6.551 0.415 1.725 1.00 0.00 H new ATOM 0 HA PHE A 15 6.195 2.210 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.587 2.801 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.990 2.200 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.775 4.764 3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.085 3.568 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.832 6.978 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.134 5.779 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.505 7.488 2.958 1.00 0.00 H new ATOM 230 N ILE A 16 3.443 0.753 2.750 1.00 0.00 N ATOM 231 CA ILE A 16 2.084 0.350 3.104 1.00 0.00 C ATOM 232 C ILE A 16 2.106 -0.563 4.329 1.00 0.00 C ATOM 233 O ILE A 16 1.220 -0.512 5.188 1.00 0.00 O ATOM 234 CB ILE A 16 1.416 -0.383 1.921 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.402 0.521 0.684 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.001 -0.813 2.282 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.097 -0.213 -0.605 1.00 0.00 C ATOM 0 H ILE A 16 3.724 0.484 1.807 1.00 0.00 H new ATOM 0 HA ILE A 16 1.508 1.246 3.337 1.00 0.00 H new ATOM 0 HB ILE A 16 1.995 -1.279 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.661 1.307 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.372 1.010 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.451 -1.327 1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.033 -1.485 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.594 0.066 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.105 0.492 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.852 -0.981 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.115 -0.680 -0.534 1.00 0.00 H new ATOM 249 N ARG A 17 3.143 -1.384 4.395 1.00 0.00 N ATOM 250 CA ARG A 17 3.370 -2.285 5.514 1.00 0.00 C ATOM 251 C ARG A 17 3.493 -1.508 6.824 1.00 0.00 C ATOM 252 O ARG A 17 2.911 -1.890 7.839 1.00 0.00 O ATOM 253 CB ARG A 17 4.638 -3.094 5.234 1.00 0.00 C ATOM 254 CG ARG A 17 5.045 -4.069 6.321 1.00 0.00 C ATOM 255 CD ARG A 17 6.274 -4.852 5.885 1.00 0.00 C ATOM 256 NE ARG A 17 6.848 -5.639 6.971 1.00 0.00 N ATOM 257 CZ ARG A 17 8.158 -5.732 7.215 1.00 0.00 C ATOM 258 NH1 ARG A 17 9.040 -5.106 6.439 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.588 -6.469 8.231 1.00 0.00 N ATOM 0 H ARG A 17 3.856 -1.444 3.668 1.00 0.00 H new ATOM 0 HA ARG A 17 2.521 -2.960 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.496 -3.649 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.461 -2.399 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.256 -3.529 7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.224 -4.754 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.006 -5.515 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.026 -4.160 5.505 1.00 0.00 H new ATOM 0 HE ARG A 17 6.210 -6.150 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.718 -4.548 5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.038 -5.184 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.919 -6.962 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.588 -6.543 8.421 1.00 0.00 H new ATOM 273 N GLU A 18 4.234 -0.407 6.793 1.00 0.00 N ATOM 274 CA GLU A 18 4.412 0.421 7.977 1.00 0.00 C ATOM 275 C GLU A 18 3.135 1.180 8.315 1.00 0.00 C ATOM 276 O GLU A 18 2.827 1.386 9.489 1.00 0.00 O ATOM 277 CB GLU A 18 5.584 1.384 7.796 1.00 0.00 C ATOM 278 CG GLU A 18 6.922 0.670 7.708 1.00 0.00 C ATOM 279 CD GLU A 18 8.107 1.609 7.789 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.988 2.670 8.434 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.171 1.275 7.224 1.00 0.00 O ATOM 0 H GLU A 18 4.720 -0.068 5.963 1.00 0.00 H new ATOM 0 HA GLU A 18 4.640 -0.239 8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.430 1.971 6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.605 2.085 8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.990 -0.061 8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.970 0.116 6.771 1.00 0.00 H new ATOM 288 N LEU A 19 2.389 1.581 7.287 1.00 0.00 N ATOM 289 CA LEU A 19 1.092 2.225 7.484 1.00 0.00 C ATOM 290 C LEU A 19 0.187 1.357 8.352 1.00 0.00 C ATOM 291 O LEU A 19 -0.337 1.809 9.371 1.00 0.00 O ATOM 292 CB LEU A 19 0.408 2.490 6.138 1.00 0.00 C ATOM 293 CG LEU A 19 0.655 3.865 5.508 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.136 4.132 5.319 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.065 3.957 4.174 1.00 0.00 C ATOM 0 H LEU A 19 2.660 1.471 6.310 1.00 0.00 H new ATOM 0 HA LEU A 19 1.265 3.176 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.736 1.727 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.666 2.362 6.270 1.00 0.00 H new ATOM 0 HG LEU A 19 0.264 4.623 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.274 5.116 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.638 4.101 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.562 3.372 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.114 4.937 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.309 3.182 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.135 3.819 4.328 1.00 0.00 H new ATOM 307 N GLY A 20 0.015 0.105 7.948 1.00 0.00 N ATOM 308 CA GLY A 20 -0.823 -0.810 8.699 1.00 0.00 C ATOM 309 C GLY A 20 -0.250 -1.154 10.060 1.00 0.00 C ATOM 310 O GLY A 20 -0.997 -1.336 11.021 1.00 0.00 O ATOM 0 H GLY A 20 0.442 -0.294 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.811 -0.367 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.957 -1.727 8.125 1.00 0.00 H new ATOM 314 N ASP A 21 1.073 -1.216 10.149 1.00 0.00 N ATOM 315 CA ASP A 21 1.744 -1.635 11.380 1.00 0.00 C ATOM 316 C ASP A 21 1.485 -0.653 12.521 1.00 0.00 C ATOM 317 O ASP A 21 1.328 -1.055 13.675 1.00 0.00 O ATOM 318 CB ASP A 21 3.249 -1.774 11.143 1.00 0.00 C ATOM 319 CG ASP A 21 3.971 -2.396 12.321 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.890 -3.629 12.487 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.647 -1.663 13.075 1.00 0.00 O1- ATOM 0 H ASP A 21 1.706 -0.982 9.384 1.00 0.00 H new ATOM 0 HA ASP A 21 1.333 -2.603 11.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.418 -2.383 10.255 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.673 -0.791 10.940 1.00 0.00 H new ATOM 326 N VAL A 22 1.412 0.633 12.191 1.00 0.00 N ATOM 327 CA VAL A 22 1.192 1.665 13.198 1.00 0.00 C ATOM 328 C VAL A 22 -0.282 2.030 13.275 1.00 0.00 C ATOM 329 O VAL A 22 -0.700 2.808 14.132 1.00 0.00 O ATOM 330 CB VAL A 22 2.023 2.937 12.927 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.509 2.648 13.054 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.706 3.509 11.555 1.00 0.00 C ATOM 0 H VAL A 22 1.502 0.984 11.238 1.00 0.00 H new ATOM 0 HA VAL A 22 1.519 1.248 14.151 1.00 0.00 H new ATOM 0 HB VAL A 22 1.754 3.681 13.677 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.075 3.559 12.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.726 2.295 14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.794 1.882 12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.304 4.405 11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.939 2.769 10.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.648 3.764 11.503 1.00 0.00 H new ATOM 342 N GLY A 23 -1.064 1.465 12.368 1.00 0.00 N ATOM 343 CA GLY A 23 -2.496 1.649 12.410 1.00 0.00 C ATOM 344 C GLY A 23 -2.972 2.871 11.649 1.00 0.00 C ATOM 345 O GLY A 23 -3.968 3.492 12.017 1.00 0.00 O ATOM 0 H GLY A 23 -0.729 0.881 11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.980 0.763 11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.813 1.732 13.450 1.00 0.00 H new ATOM 349 N LEU A 24 -2.262 3.225 10.593 1.00 0.00 N ATOM 350 CA LEU A 24 -2.660 4.334 9.740 1.00 0.00 C ATOM 351 C LEU A 24 -3.342 3.817 8.485 1.00 0.00 C ATOM 352 O LEU A 24 -3.752 4.587 7.617 1.00 0.00 O ATOM 353 CB LEU A 24 -1.441 5.179 9.384 1.00 0.00 C ATOM 354 CG LEU A 24 -0.869 5.965 10.559 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.487 6.542 10.218 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.824 7.070 10.958 1.00 0.00 C ATOM 0 H LEU A 24 -1.402 2.759 10.303 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.371 4.960 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.664 4.528 8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.713 5.876 8.591 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.744 5.282 11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.872 7.097 11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.175 5.733 9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.393 7.212 9.363 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.407 7.626 11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.973 7.744 10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.781 6.636 11.249 1.00 0.00 H new ATOM 368 N LEU A 25 -3.454 2.503 8.399 1.00 0.00 N ATOM 369 CA LEU A 25 -4.114 1.864 7.275 1.00 0.00 C ATOM 370 C LEU A 25 -5.388 1.168 7.738 1.00 0.00 C ATOM 371 O LEU A 25 -6.199 0.727 6.925 1.00 0.00 O ATOM 372 CB LEU A 25 -3.163 0.858 6.628 1.00 0.00 C ATOM 373 CG LEU A 25 -3.648 0.227 5.328 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.832 1.285 4.250 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.668 -0.839 4.876 1.00 0.00 C ATOM 0 H LEU A 25 -3.094 1.855 9.099 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.385 2.622 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.213 1.357 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.965 0.061 7.345 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.617 -0.240 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.179 0.812 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.568 2.017 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.881 1.785 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.020 -1.286 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.689 -0.388 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.590 -1.610 5.643 1.00 0.00 H new ATOM 387 N GLU A 26 -5.553 1.079 9.055 1.00 0.00 N ATOM 388 CA GLU A 26 -6.712 0.416 9.640 1.00 0.00 C ATOM 389 C GLU A 26 -8.003 1.107 9.232 1.00 0.00 C ATOM 390 O GLU A 26 -8.133 2.330 9.332 1.00 0.00 O ATOM 391 CB GLU A 26 -6.599 0.357 11.163 1.00 0.00 C ATOM 392 CG GLU A 26 -5.472 -0.539 11.645 1.00 0.00 C ATOM 393 CD GLU A 26 -5.454 -0.700 13.151 1.00 0.00 C ATOM 394 OE1 GLU A 26 -4.888 0.171 13.844 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -6.002 -1.705 13.650 1.00 0.00 O ATOM 0 H GLU A 26 -4.897 1.459 9.737 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.735 -0.604 9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.444 1.365 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.542 -0.001 11.577 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.570 -1.520 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.519 -0.125 11.317 1.00 0.00 H new ATOM 402 N TYR A 27 -8.953 0.308 8.779 1.00 0.00 N ATOM 403 CA TYR A 27 -10.205 0.818 8.244 1.00 0.00 C ATOM 404 C TYR A 27 -11.373 -0.049 8.699 1.00 0.00 C ATOM 405 O TYR A 27 -11.177 -1.121 9.275 1.00 0.00 O ATOM 406 CB TYR A 27 -10.148 0.849 6.713 1.00 0.00 C ATOM 407 CG TYR A 27 -9.998 -0.520 6.085 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.763 -1.149 6.027 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.096 -1.184 5.557 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.627 -2.400 5.466 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.967 -2.439 4.990 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.729 -3.041 4.948 1.00 0.00 C ATOM 413 OH TYR A 27 -9.594 -4.293 4.390 1.00 0.00 O ATOM 0 H TYR A 27 -8.880 -0.709 8.771 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.354 1.831 8.619 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.057 1.316 6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.313 1.476 6.401 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.893 -0.650 6.428 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.067 -0.713 5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.658 -2.876 5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.831 -2.943 4.583 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.467 -4.605 4.072 1.00 0.00 H new ATOM 423 N GLU A 28 -12.581 0.411 8.418 1.00 0.00 N ATOM 424 CA GLU A 28 -13.788 -0.306 8.789 1.00 0.00 C ATOM 425 C GLU A 28 -14.892 0.043 7.803 1.00 0.00 C ATOM 426 O GLU A 28 -15.472 1.125 7.865 1.00 0.00 O ATOM 427 CB GLU A 28 -14.197 0.056 10.220 1.00 0.00 C ATOM 428 CG GLU A 28 -15.320 -0.795 10.782 1.00 0.00 C ATOM 429 CD GLU A 28 -15.557 -0.528 12.253 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.849 -1.127 13.089 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -16.446 0.286 12.584 1.00 0.00 O ATOM 0 H GLU A 28 -12.752 1.289 7.928 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.607 -1.380 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.326 -0.037 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.502 1.102 10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.237 -0.598 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.081 -1.849 10.639 1.00 0.00 H new ATOM 438 N LEU A 29 -15.165 -0.869 6.885 1.00 0.00 N ATOM 439 CA LEU A 29 -16.077 -0.594 5.785 1.00 0.00 C ATOM 440 C LEU A 29 -17.524 -0.838 6.178 1.00 0.00 C ATOM 441 O LEU A 29 -17.830 -1.739 6.962 1.00 0.00 O ATOM 442 CB LEU A 29 -15.731 -1.471 4.584 1.00 0.00 C ATOM 443 CG LEU A 29 -14.311 -1.315 4.049 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.072 -2.279 2.904 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.056 0.114 3.601 1.00 0.00 C ATOM 0 H LEU A 29 -14.768 -1.808 6.879 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.964 0.459 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.885 -2.514 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.431 -1.248 3.779 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.614 -1.548 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.055 -2.157 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.210 -3.302 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.779 -2.073 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.037 0.201 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.759 0.379 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.188 0.789 4.446 1.00 0.00 H new ATOM 457 N SER A 30 -18.405 -0.017 5.634 1.00 0.00 N ATOM 458 CA SER A 30 -19.832 -0.228 5.763 1.00 0.00 C ATOM 459 C SER A 30 -20.295 -1.201 4.680 1.00 0.00 C ATOM 460 O SER A 30 -19.527 -1.504 3.766 1.00 0.00 O ATOM 461 CB SER A 30 -20.563 1.108 5.632 1.00 0.00 C ATOM 462 OG SER A 30 -19.889 2.123 6.361 1.00 0.00 O ATOM 0 H SER A 30 -18.151 0.810 5.094 1.00 0.00 H new ATOM 0 HA SER A 30 -20.058 -0.652 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.629 1.391 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.584 1.007 5.999 1.00 0.00 H new ATOM 0 HG SER A 30 -19.096 2.411 5.863 1.00 0.00 H new ATOM 468 N GLN A 31 -21.524 -1.688 4.764 1.00 0.00 N ATOM 469 CA GLN A 31 -22.025 -2.640 3.779 1.00 0.00 C ATOM 470 C GLN A 31 -21.967 -2.057 2.374 1.00 0.00 C ATOM 471 O GLN A 31 -21.603 -2.746 1.422 1.00 0.00 O ATOM 472 CB GLN A 31 -23.451 -3.067 4.116 1.00 0.00 C ATOM 473 CG GLN A 31 -23.532 -4.008 5.304 1.00 0.00 C ATOM 474 CD GLN A 31 -22.820 -5.325 5.053 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.412 -6.279 4.552 1.00 0.00 O ATOM 476 NE2 GLN A 31 -21.548 -5.394 5.411 1.00 0.00 N ATOM 0 H GLN A 31 -22.190 -1.443 5.497 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.382 -3.519 3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.049 -2.180 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -23.892 -3.553 3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.095 -3.524 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.579 -4.203 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.090 -4.582 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.026 -6.259 5.274 1.00 0.00 H new ATOM 485 N GLN A 32 -22.294 -0.777 2.257 1.00 0.00 N ATOM 486 CA GLN A 32 -22.250 -0.095 0.971 1.00 0.00 C ATOM 487 C GLN A 32 -20.814 -0.001 0.462 1.00 0.00 C ATOM 488 O GLN A 32 -20.547 -0.208 -0.722 1.00 0.00 O ATOM 489 CB GLN A 32 -22.853 1.302 1.090 1.00 0.00 C ATOM 490 CG GLN A 32 -22.958 2.037 -0.236 1.00 0.00 C ATOM 491 CD GLN A 32 -23.867 1.338 -1.233 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.907 0.683 -0.740 1.00 0.00 O flip ATOM 493 NE2 GLN A 32 -23.645 1.404 -2.443 1.00 0.00 N flip ATOM 0 H GLN A 32 -22.592 -0.191 3.036 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.836 -0.674 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.847 1.223 1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.246 1.893 1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.331 3.045 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.963 2.138 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.833 1.918 -2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -24.273 0.945 -3.103 1.00 0.00 H new ATOM 502 N GLU A 33 -19.890 0.288 1.372 1.00 0.00 N ATOM 503 CA GLU A 33 -18.479 0.390 1.024 1.00 0.00 C ATOM 504 C GLU A 33 -17.930 -0.975 0.625 1.00 0.00 C ATOM 505 O GLU A 33 -16.995 -1.074 -0.159 1.00 0.00 O ATOM 506 CB GLU A 33 -17.679 0.960 2.196 1.00 0.00 C ATOM 507 CG GLU A 33 -18.110 2.360 2.603 1.00 0.00 C ATOM 508 CD GLU A 33 -17.323 2.889 3.782 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.621 2.483 4.925 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.411 3.720 3.575 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.094 0.456 2.357 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.382 1.067 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.781 0.294 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.622 0.977 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.987 3.035 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.171 2.352 2.853 1.00 0.00 H new ATOM 517 N LYS A 34 -18.533 -2.027 1.155 1.00 0.00 N ATOM 518 CA LYS A 34 -18.135 -3.382 0.811 1.00 0.00 C ATOM 519 C LYS A 34 -18.764 -3.796 -0.511 1.00 0.00 C ATOM 520 O LYS A 34 -18.169 -4.531 -1.295 1.00 0.00 O ATOM 521 CB LYS A 34 -18.539 -4.356 1.917 1.00 0.00 C ATOM 522 CG LYS A 34 -17.635 -4.292 3.134 1.00 0.00 C ATOM 523 CD LYS A 34 -18.099 -5.238 4.226 1.00 0.00 C ATOM 524 CE LYS A 34 -17.140 -5.234 5.402 1.00 0.00 C ATOM 525 NZ LYS A 34 -15.834 -5.861 5.063 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.300 -1.968 1.825 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.050 -3.408 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.563 -4.143 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.529 -5.371 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.615 -4.543 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.615 -3.273 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.094 -4.947 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.182 -6.248 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.974 -4.208 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.591 -5.767 6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.289 -6.022 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.999 -6.770 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.300 -5.230 4.432 1.00 0.00 H new ATOM 539 N ASP A 35 -19.957 -3.283 -0.762 1.00 0.00 N ATOM 540 CA ASP A 35 -20.723 -3.631 -1.953 1.00 0.00 C ATOM 541 C ASP A 35 -20.033 -3.133 -3.214 1.00 0.00 C ATOM 542 O ASP A 35 -20.062 -3.789 -4.252 1.00 0.00 O ATOM 543 CB ASP A 35 -22.127 -3.033 -1.858 1.00 0.00 C ATOM 544 CG ASP A 35 -23.015 -3.443 -3.014 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.455 -4.611 -3.046 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.275 -2.600 -3.899 1.00 0.00 O ATOM 0 H ASP A 35 -20.423 -2.615 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.792 -4.717 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.589 -3.346 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.053 -1.946 -1.829 1.00 0.00 H new ATOM 551 N VAL A 36 -19.395 -1.979 -3.115 1.00 0.00 N ATOM 552 CA VAL A 36 -18.737 -1.378 -4.263 1.00 0.00 C ATOM 553 C VAL A 36 -17.386 -2.039 -4.535 1.00 0.00 C ATOM 554 O VAL A 36 -16.876 -1.992 -5.650 1.00 0.00 O ATOM 555 CB VAL A 36 -18.542 0.143 -4.069 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.882 0.828 -3.850 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.601 0.430 -2.908 1.00 0.00 C ATOM 0 H VAL A 36 -19.319 -1.440 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.387 -1.539 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.090 0.544 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.726 1.898 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.522 0.661 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.360 0.416 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.482 1.507 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.016 0.012 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.630 -0.024 -3.106 1.00 0.00 H new ATOM 567 N LEU A 37 -16.812 -2.659 -3.513 1.00 0.00 N ATOM 568 CA LEU A 37 -15.499 -3.283 -3.644 1.00 0.00 C ATOM 569 C LEU A 37 -15.624 -4.763 -3.967 1.00 0.00 C ATOM 570 O LEU A 37 -15.078 -5.242 -4.961 1.00 0.00 O ATOM 571 CB LEU A 37 -14.698 -3.089 -2.359 1.00 0.00 C ATOM 572 CG LEU A 37 -14.610 -1.640 -1.890 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.801 -1.534 -0.611 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.009 -0.764 -2.974 1.00 0.00 C ATOM 0 H LEU A 37 -17.231 -2.744 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.974 -2.802 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.150 -3.688 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.689 -3.472 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.621 -1.289 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.752 -0.491 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.276 -2.127 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.792 -1.907 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.954 0.266 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.007 -1.119 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.634 -0.809 -3.866 1.00 0.00 H new ATOM 586 N PHE A 38 -16.365 -5.480 -3.135 1.00 0.00 N ATOM 587 CA PHE A 38 -16.551 -6.914 -3.318 1.00 0.00 C ATOM 588 C PHE A 38 -17.515 -7.168 -4.460 1.00 0.00 C ATOM 589 O PHE A 38 -17.432 -8.180 -5.152 1.00 0.00 O ATOM 590 CB PHE A 38 -17.076 -7.562 -2.035 1.00 0.00 C ATOM 591 CG PHE A 38 -16.096 -7.535 -0.897 1.00 0.00 C ATOM 592 CD1 PHE A 38 -15.975 -6.414 -0.094 1.00 0.00 C ATOM 593 CD2 PHE A 38 -15.296 -8.634 -0.631 1.00 0.00 C ATOM 594 CE1 PHE A 38 -15.076 -6.389 0.955 1.00 0.00 C ATOM 595 CE2 PHE A 38 -14.395 -8.616 0.415 1.00 0.00 C ATOM 596 CZ PHE A 38 -14.283 -7.492 1.208 1.00 0.00 C ATOM 0 H PHE A 38 -16.849 -5.092 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.585 -7.360 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -17.989 -7.051 -1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -17.345 -8.597 -2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.591 -5.549 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.378 -9.516 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -14.993 -5.509 1.576 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.779 -9.481 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.577 -7.475 2.025 1.00 0.00 H new ATOM 606 N GLY A 39 -18.426 -6.229 -4.655 1.00 0.00 N ATOM 607 CA GLY A 39 -19.366 -6.329 -5.747 1.00 0.00 C ATOM 608 C GLY A 39 -18.807 -5.715 -7.008 1.00 0.00 C ATOM 609 O GLY A 39 -19.192 -6.088 -8.114 1.00 0.00 O ATOM 0 H GLY A 39 -18.531 -5.397 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.609 -7.376 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.296 -5.828 -5.477 1.00 0.00 H new ATOM 613 N SER A 40 -17.880 -4.779 -6.819 1.00 0.00 N ATOM 614 CA SER A 40 -17.227 -4.077 -7.917 1.00 0.00 C ATOM 615 C SER A 40 -18.269 -3.421 -8.829 1.00 0.00 C ATOM 616 O SER A 40 -18.978 -2.505 -8.356 1.00 0.00 O ATOM 617 CB SER A 40 -16.331 -5.050 -8.700 1.00 0.00 C ATOM 618 OG SER A 40 -15.469 -4.366 -9.594 1.00 0.00 O ATOM 619 OXT SER A 40 -18.372 -3.812 -10.011 1.00 0.00 O ATOM 0 H SER A 40 -17.561 -4.486 -5.896 1.00 0.00 H new ATOM 0 HA SER A 40 -16.598 -3.285 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.737 -5.640 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.954 -5.749 -9.258 1.00 0.00 H new ATOM 0 HG SER A 40 -14.913 -5.015 -10.074 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -4.564 14.178 14.456 1.00 0.00 N ATOM 627 CA MET B 41 -3.704 13.364 15.343 1.00 0.00 C ATOM 628 C MET B 41 -3.593 11.943 14.810 1.00 0.00 C ATOM 629 O MET B 41 -4.476 11.112 15.030 1.00 0.00 O ATOM 630 CB MET B 41 -4.268 13.347 16.764 1.00 0.00 C ATOM 631 CG MET B 41 -3.433 12.556 17.768 1.00 0.00 C ATOM 632 SD MET B 41 -1.844 13.328 18.155 1.00 0.00 S ATOM 633 CE MET B 41 -0.760 12.559 16.951 1.00 0.00 C ATOM 0 HA MET B 41 -2.710 13.811 15.366 1.00 0.00 H new ATOM 0 HB2 MET B 41 -4.360 14.374 17.117 1.00 0.00 H new ATOM 0 HB3 MET B 41 -5.274 12.928 16.737 1.00 0.00 H new ATOM 0 HG2 MET B 41 -4.004 12.437 18.689 1.00 0.00 H new ATOM 0 HG3 MET B 41 -3.255 11.556 17.372 1.00 0.00 H new ATOM 0 HE1 MET B 41 0.192 12.315 17.422 1.00 0.00 H new ATOM 0 HE2 MET B 41 -1.223 11.647 16.575 1.00 0.00 H new ATOM 0 HE3 MET B 41 -0.589 13.247 16.123 1.00 0.00 H new ATOM 645 N ASN B 42 -2.512 11.674 14.095 1.00 0.00 N ATOM 646 CA ASN B 42 -2.264 10.352 13.539 1.00 0.00 C ATOM 647 C ASN B 42 -0.853 9.907 13.867 1.00 0.00 C ATOM 648 O ASN B 42 0.008 10.727 14.188 1.00 0.00 O ATOM 649 CB ASN B 42 -2.467 10.357 12.023 1.00 0.00 C ATOM 650 CG ASN B 42 -3.897 10.670 11.633 1.00 0.00 C ATOM 651 OD1 ASN B 42 -4.254 11.826 11.422 1.00 0.00 O ATOM 652 ND2 ASN B 42 -4.722 9.641 11.533 1.00 0.00 N ATOM 0 H ASN B 42 -1.787 12.360 13.885 1.00 0.00 H new ATOM 0 HA ASN B 42 -2.974 9.654 13.983 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -1.801 11.093 11.572 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.188 9.384 11.618 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -5.696 9.792 11.272 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.384 8.696 11.717 1.00 0.00 H new ATOM 659 N LYS B 43 -0.630 8.606 13.796 1.00 0.00 N ATOM 660 CA LYS B 43 0.661 8.017 14.092 1.00 0.00 C ATOM 661 C LYS B 43 1.693 8.391 13.037 1.00 0.00 C ATOM 662 O LYS B 43 1.371 8.990 12.010 1.00 0.00 O ATOM 663 CB LYS B 43 0.537 6.490 14.165 1.00 0.00 C ATOM 664 CG LYS B 43 -0.273 5.980 15.353 1.00 0.00 C ATOM 665 CD LYS B 43 -1.766 6.250 15.220 1.00 0.00 C ATOM 666 CE LYS B 43 -2.386 5.497 14.057 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.867 5.407 14.170 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.343 7.927 13.530 1.00 0.00 H new ATOM 0 HA LYS B 43 0.994 8.406 15.054 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.076 6.131 13.245 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.537 6.058 14.210 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.112 4.907 15.461 1.00 0.00 H new ATOM 0 HG3 LYS B 43 0.095 6.451 16.265 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.268 5.964 16.144 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.929 7.319 15.086 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -2.124 5.995 13.123 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -1.965 4.493 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.227 4.721 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.124 5.097 15.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.287 6.340 13.984 1.00 0.00 H new ATOM 681 N THR B 44 2.931 8.042 13.312 1.00 0.00 N ATOM 682 CA THR B 44 4.007 8.212 12.360 1.00 0.00 C ATOM 683 C THR B 44 4.443 6.860 11.838 1.00 0.00 C ATOM 684 O THR B 44 3.963 5.829 12.312 1.00 0.00 O ATOM 685 CB THR B 44 5.209 8.923 13.000 1.00 0.00 C ATOM 686 OG1 THR B 44 5.388 8.473 14.353 1.00 0.00 O ATOM 687 CG2 THR B 44 5.018 10.426 12.965 1.00 0.00 C ATOM 0 H THR B 44 3.220 7.633 14.201 1.00 0.00 H new ATOM 0 HA THR B 44 3.640 8.828 11.539 1.00 0.00 H new ATOM 0 HB THR B 44 6.103 8.677 12.428 1.00 0.00 H new ATOM 0 HG1 THR B 44 6.158 8.931 14.751 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.879 10.913 13.423 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.921 10.757 11.931 1.00 0.00 H new ATOM 0 HG23 THR B 44 4.116 10.691 13.516 1.00 0.00 H new ATOM 695 N LEU B 45 5.344 6.849 10.877 1.00 0.00 N ATOM 696 CA LEU B 45 5.846 5.591 10.362 1.00 0.00 C ATOM 697 C LEU B 45 6.983 5.079 11.225 1.00 0.00 C ATOM 698 O LEU B 45 7.429 5.756 12.159 1.00 0.00 O ATOM 699 CB LEU B 45 6.291 5.717 8.906 1.00 0.00 C ATOM 700 CG LEU B 45 5.185 6.110 7.932 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.664 5.983 6.498 1.00 0.00 C ATOM 702 CD2 LEU B 45 3.957 5.252 8.163 1.00 0.00 C ATOM 0 H LEU B 45 5.739 7.683 10.442 1.00 0.00 H new ATOM 0 HA LEU B 45 5.029 4.870 10.396 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.088 6.458 8.847 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.716 4.765 8.587 1.00 0.00 H new ATOM 0 HG LEU B 45 4.920 7.152 8.109 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.860 6.268 5.819 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.521 6.638 6.341 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.956 4.951 6.302 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.174 5.541 7.462 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.212 4.203 8.010 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.601 5.393 9.183 1.00 0.00 H new ATOM 714 N LYS B 46 7.454 3.895 10.904 1.00 0.00 N ATOM 715 CA LYS B 46 8.502 3.257 11.677 1.00 0.00 C ATOM 716 C LYS B 46 9.851 3.745 11.192 1.00 0.00 C ATOM 717 O LYS B 46 10.702 4.166 11.981 1.00 0.00 O ATOM 718 CB LYS B 46 8.393 1.741 11.552 1.00 0.00 C ATOM 719 CG LYS B 46 7.135 1.182 12.194 1.00 0.00 C ATOM 720 CD LYS B 46 6.385 0.263 11.248 1.00 0.00 C ATOM 721 CE LYS B 46 7.156 -1.019 10.969 1.00 0.00 C ATOM 722 NZ LYS B 46 7.247 -1.884 12.175 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.127 3.349 10.107 1.00 0.00 H new ATOM 0 HA LYS B 46 8.393 3.518 12.730 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.409 1.467 10.497 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.266 1.280 12.014 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.400 0.635 13.099 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.485 2.003 12.496 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.414 0.016 11.676 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.196 0.784 10.310 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.668 -1.568 10.164 1.00 0.00 H new ATOM 0 HE3 LYS B 46 8.160 -0.771 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.294 -2.881 11.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 8.103 -1.640 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.408 -1.736 12.772 1.00 0.00 H new ATOM 736 N THR B 47 10.025 3.714 9.886 1.00 0.00 N ATOM 737 CA THR B 47 11.218 4.237 9.267 1.00 0.00 C ATOM 738 C THR B 47 11.061 5.732 9.036 1.00 0.00 C ATOM 739 O THR B 47 10.096 6.174 8.417 1.00 0.00 O ATOM 740 CB THR B 47 11.494 3.554 7.921 1.00 0.00 C ATOM 741 OG1 THR B 47 11.462 2.128 8.075 1.00 0.00 O ATOM 742 CG2 THR B 47 12.842 3.993 7.380 1.00 0.00 C ATOM 0 H THR B 47 9.346 3.327 9.231 1.00 0.00 H new ATOM 0 HA THR B 47 12.056 4.041 9.936 1.00 0.00 H new ATOM 0 HB THR B 47 10.720 3.847 7.212 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.720 1.759 7.552 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.028 3.502 6.425 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.843 5.074 7.239 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.625 3.719 8.087 1.00 0.00 H new ATOM 750 N LYS B 48 12.009 6.507 9.537 1.00 0.00 N ATOM 751 CA LYS B 48 11.970 7.953 9.389 1.00 0.00 C ATOM 752 C LYS B 48 12.171 8.348 7.931 1.00 0.00 C ATOM 753 O LYS B 48 11.610 9.339 7.464 1.00 0.00 O ATOM 754 CB LYS B 48 13.034 8.594 10.277 1.00 0.00 C ATOM 755 CG LYS B 48 13.040 10.122 10.258 1.00 0.00 C ATOM 756 CD LYS B 48 11.656 10.723 10.497 1.00 0.00 C ATOM 757 CE LYS B 48 11.089 10.355 11.860 1.00 0.00 C ATOM 758 NZ LYS B 48 9.785 11.024 12.116 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.818 6.158 10.051 1.00 0.00 H new ATOM 0 HA LYS B 48 10.990 8.314 9.702 1.00 0.00 H new ATOM 0 HB2 LYS B 48 12.884 8.257 11.303 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.015 8.236 9.964 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.726 10.487 11.022 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.420 10.467 9.296 1.00 0.00 H new ATOM 0 HD2 LYS B 48 11.715 11.808 10.412 1.00 0.00 H new ATOM 0 HD3 LYS B 48 10.975 10.379 9.719 1.00 0.00 H new ATOM 0 HE2 LYS B 48 10.961 9.274 11.920 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.800 10.636 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.274 10.514 12.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.952 12.005 12.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.217 11.022 11.245 1.00 0.00 H new ATOM 772 N ALA B 49 12.953 7.552 7.213 1.00 0.00 N ATOM 773 CA ALA B 49 13.168 7.770 5.788 1.00 0.00 C ATOM 774 C ALA B 49 11.865 7.598 5.014 1.00 0.00 C ATOM 775 O ALA B 49 11.715 8.118 3.913 1.00 0.00 O ATOM 776 CB ALA B 49 14.235 6.821 5.262 1.00 0.00 C ATOM 0 H ALA B 49 13.450 6.748 7.595 1.00 0.00 H new ATOM 0 HA ALA B 49 13.515 8.793 5.644 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.384 6.996 4.197 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.171 6.995 5.793 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.915 5.791 5.419 1.00 0.00 H new ATOM 782 N PHE B 50 10.930 6.863 5.606 1.00 0.00 N ATOM 783 CA PHE B 50 9.604 6.674 5.029 1.00 0.00 C ATOM 784 C PHE B 50 8.641 7.717 5.578 1.00 0.00 C ATOM 785 O PHE B 50 7.887 8.345 4.829 1.00 0.00 O ATOM 786 CB PHE B 50 9.068 5.281 5.362 1.00 0.00 C ATOM 787 CG PHE B 50 9.582 4.180 4.480 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.816 4.275 3.855 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.815 3.048 4.273 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.275 3.256 3.043 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.268 2.027 3.464 1.00 0.00 C ATOM 792 CZ PHE B 50 10.500 2.131 2.846 1.00 0.00 C ATOM 0 H PHE B 50 11.069 6.383 6.495 1.00 0.00 H new ATOM 0 HA PHE B 50 9.686 6.781 3.947 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.322 5.047 6.396 1.00 0.00 H new ATOM 0 HB3 PHE B 50 7.980 5.301 5.297 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.425 5.155 4.005 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.850 2.963 4.750 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.239 3.340 2.563 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.661 1.147 3.313 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.855 1.334 2.210 1.00 0.00 H new ATOM 802 N ASP B 51 8.687 7.889 6.897 1.00 0.00 N ATOM 803 CA ASP B 51 7.792 8.795 7.613 1.00 0.00 C ATOM 804 C ASP B 51 7.831 10.195 7.020 1.00 0.00 C ATOM 805 O ASP B 51 6.799 10.857 6.904 1.00 0.00 O ATOM 806 CB ASP B 51 8.171 8.860 9.093 1.00 0.00 C ATOM 807 CG ASP B 51 7.270 9.786 9.875 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.079 9.453 10.049 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 7.754 10.849 10.319 1.00 0.00 O ATOM 0 H ASP B 51 9.349 7.402 7.502 1.00 0.00 H new ATOM 0 HA ASP B 51 6.780 8.403 7.513 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.121 7.860 9.523 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.204 9.196 9.187 1.00 0.00 H new ATOM 814 N ASP B 52 9.029 10.628 6.633 1.00 0.00 N ATOM 815 CA ASP B 52 9.235 11.954 6.053 1.00 0.00 C ATOM 816 C ASP B 52 8.224 12.243 4.955 1.00 0.00 C ATOM 817 O ASP B 52 7.514 13.243 5.001 1.00 0.00 O ATOM 818 CB ASP B 52 10.649 12.074 5.486 1.00 0.00 C ATOM 819 CG ASP B 52 10.923 13.444 4.895 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.343 14.345 5.650 1.00 0.00 O ATOM 821 OD2 ASP B 52 10.733 13.626 3.672 1.00 0.00 O1- ATOM 0 H ASP B 52 9.881 10.073 6.712 1.00 0.00 H new ATOM 0 HA ASP B 52 9.098 12.685 6.850 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.372 11.871 6.276 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.795 11.315 4.718 1.00 0.00 H new ATOM 826 N ILE B 53 8.138 11.342 3.992 1.00 0.00 N ATOM 827 CA ILE B 53 7.267 11.535 2.845 1.00 0.00 C ATOM 828 C ILE B 53 5.805 11.480 3.263 1.00 0.00 C ATOM 829 O ILE B 53 4.996 12.283 2.810 1.00 0.00 O ATOM 830 CB ILE B 53 7.526 10.481 1.752 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.976 10.544 1.278 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.582 10.663 0.573 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.902 9.625 2.033 1.00 0.00 C ATOM 0 H ILE B 53 8.662 10.467 3.981 1.00 0.00 H new ATOM 0 HA ILE B 53 7.490 12.520 2.436 1.00 0.00 H new ATOM 0 HB ILE B 53 7.339 9.500 2.188 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.014 10.292 0.218 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.336 11.568 1.375 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.791 9.904 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.551 10.563 0.913 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.727 11.653 0.141 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.914 9.725 1.640 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.895 9.890 3.090 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.567 8.594 1.915 1.00 0.00 H new ATOM 845 N TYR B 54 5.478 10.550 4.152 1.00 0.00 N ATOM 846 CA TYR B 54 4.104 10.383 4.607 1.00 0.00 C ATOM 847 C TYR B 54 3.597 11.653 5.285 1.00 0.00 C ATOM 848 O TYR B 54 2.433 12.022 5.137 1.00 0.00 O ATOM 849 CB TYR B 54 3.995 9.192 5.564 1.00 0.00 C ATOM 850 CG TYR B 54 2.585 8.935 6.054 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.630 8.368 5.219 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.208 9.269 7.349 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.341 8.139 5.662 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.922 9.044 7.798 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.009 8.478 6.951 1.00 0.00 C ATOM 856 OH TYR B 54 -1.294 8.255 7.396 1.00 0.00 O ATOM 0 H TYR B 54 6.144 9.901 4.571 1.00 0.00 H new ATOM 0 HA TYR B 54 3.481 10.188 3.734 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.365 8.298 5.062 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.643 9.366 6.423 1.00 0.00 H new ATOM 0 HD1 TYR B 54 1.899 8.102 4.208 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.933 9.712 8.016 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.389 7.696 5.001 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.646 9.310 8.808 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.671 7.480 6.930 1.00 0.00 H new ATOM 866 N GLN B 55 4.476 12.331 6.013 1.00 0.00 N ATOM 867 CA GLN B 55 4.101 13.560 6.695 1.00 0.00 C ATOM 868 C GLN B 55 4.180 14.745 5.735 1.00 0.00 C ATOM 869 O GLN B 55 3.566 15.786 5.962 1.00 0.00 O ATOM 870 CB GLN B 55 5.013 13.820 7.899 1.00 0.00 C ATOM 871 CG GLN B 55 5.117 12.659 8.879 1.00 0.00 C ATOM 872 CD GLN B 55 3.775 12.180 9.398 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.813 12.944 9.486 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.711 10.911 9.768 1.00 0.00 N ATOM 0 H GLN B 55 5.448 12.051 6.145 1.00 0.00 H new ATOM 0 HA GLN B 55 3.076 13.446 7.048 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.012 14.062 7.536 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.647 14.697 8.433 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.626 11.828 8.392 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.737 12.962 9.723 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.531 10.312 9.678 1.00 0.00 H new ATOM 0 HE22 GLN B 55 2.841 10.532 10.143 1.00 0.00 H new ATOM 883 N ASN B 56 4.934 14.578 4.659 1.00 0.00 N ATOM 884 CA ASN B 56 5.182 15.664 3.717 1.00 0.00 C ATOM 885 C ASN B 56 4.558 15.402 2.350 1.00 0.00 C ATOM 886 O ASN B 56 5.095 15.822 1.327 1.00 0.00 O ATOM 887 CB ASN B 56 6.686 15.894 3.559 1.00 0.00 C ATOM 888 CG ASN B 56 7.298 16.588 4.762 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.345 17.815 4.827 1.00 0.00 O ATOM 890 ND2 ASN B 56 7.778 15.809 5.717 1.00 0.00 N ATOM 0 H ASN B 56 5.387 13.698 4.414 1.00 0.00 H new ATOM 0 HA ASN B 56 4.711 16.556 4.129 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.182 14.936 3.405 1.00 0.00 H new ATOM 0 HB3 ASN B 56 6.867 16.494 2.667 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.206 16.222 6.545 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.720 14.795 5.625 1.00 0.00 H new ATOM 897 N SER B 57 3.435 14.702 2.329 1.00 0.00 N ATOM 898 CA SER B 57 2.710 14.474 1.087 1.00 0.00 C ATOM 899 C SER B 57 1.212 14.590 1.305 1.00 0.00 C ATOM 900 O SER B 57 0.519 13.592 1.526 1.00 0.00 O ATOM 901 CB SER B 57 3.051 13.108 0.493 1.00 0.00 C ATOM 902 OG SER B 57 4.409 13.054 0.111 1.00 0.00 O ATOM 0 H SER B 57 3.006 14.283 3.154 1.00 0.00 H new ATOM 0 HA SER B 57 3.019 15.243 0.379 1.00 0.00 H new ATOM 0 HB2 SER B 57 2.842 12.326 1.223 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.417 12.914 -0.372 1.00 0.00 H new ATOM 0 HG SER B 57 4.957 12.808 0.885 1.00 0.00 H new ATOM 908 N ALA B 58 0.715 15.814 1.230 1.00 0.00 N ATOM 909 CA ALA B 58 -0.705 16.075 1.381 1.00 0.00 C ATOM 910 C ALA B 58 -1.482 15.526 0.190 1.00 0.00 C ATOM 911 O ALA B 58 -2.675 15.240 0.296 1.00 0.00 O ATOM 912 CB ALA B 58 -0.953 17.566 1.541 1.00 0.00 C ATOM 0 H ALA B 58 1.280 16.647 1.064 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.057 15.567 2.279 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.022 17.747 1.653 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.429 17.929 2.425 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.586 18.092 0.660 1.00 0.00 H new ATOM 918 N GLU B 59 -0.796 15.354 -0.938 1.00 0.00 N ATOM 919 CA GLU B 59 -1.435 14.833 -2.137 1.00 0.00 C ATOM 920 C GLU B 59 -1.535 13.317 -2.056 1.00 0.00 C ATOM 921 O GLU B 59 -2.374 12.697 -2.705 1.00 0.00 O ATOM 922 CB GLU B 59 -0.683 15.255 -3.409 1.00 0.00 C ATOM 923 CG GLU B 59 0.790 14.874 -3.435 1.00 0.00 C ATOM 924 CD GLU B 59 1.683 15.885 -2.748 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.762 15.866 -1.506 1.00 0.00 O ATOM 926 OE2 GLU B 59 2.317 16.703 -3.450 1.00 0.00 O1- ATOM 0 H GLU B 59 0.196 15.567 -1.044 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.438 15.256 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.175 14.806 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -0.766 16.336 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.915 13.904 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU B 59 1.111 14.761 -4.471 1.00 0.00 H new ATOM 933 N LEU B 60 -0.670 12.729 -1.249 1.00 0.00 N ATOM 934 CA LEU B 60 -0.708 11.299 -1.006 1.00 0.00 C ATOM 935 C LEU B 60 -1.709 10.980 0.093 1.00 0.00 C ATOM 936 O LEU B 60 -2.540 10.083 -0.042 1.00 0.00 O ATOM 937 CB LEU B 60 0.663 10.797 -0.583 1.00 0.00 C ATOM 938 CG LEU B 60 0.731 9.296 -0.341 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.006 8.566 -1.641 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.770 8.976 0.712 1.00 0.00 C ATOM 0 H LEU B 60 0.070 13.222 -0.749 1.00 0.00 H new ATOM 0 HA LEU B 60 -1.007 10.805 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.388 11.063 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU B 60 0.962 11.314 0.329 1.00 0.00 H new ATOM 0 HG LEU B 60 -0.233 8.953 0.035 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.052 7.493 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU B 60 0.207 8.776 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU B 60 1.957 8.903 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.805 7.898 0.873 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.747 9.325 0.377 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.507 9.474 1.646 1.00 0.00 H new ATOM 952 N GLN B 61 -1.612 11.733 1.185 1.00 0.00 N ATOM 953 CA GLN B 61 -2.452 11.541 2.351 1.00 0.00 C ATOM 954 C GLN B 61 -3.930 11.621 1.984 1.00 0.00 C ATOM 955 O GLN B 61 -4.768 10.971 2.612 1.00 0.00 O ATOM 956 CB GLN B 61 -2.115 12.601 3.406 1.00 0.00 C ATOM 957 CG GLN B 61 -2.903 12.447 4.693 1.00 0.00 C ATOM 958 CD GLN B 61 -2.595 11.147 5.401 1.00 0.00 C ATOM 959 OE1 GLN B 61 -3.258 10.084 4.984 1.00 0.00 O flip ATOM 960 NE2 GLN B 61 -1.737 11.093 6.281 1.00 0.00 N flip ATOM 0 H GLN B 61 -0.943 12.497 1.281 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.259 10.547 2.755 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.050 12.550 3.633 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.305 13.590 2.989 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.678 13.282 5.357 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.969 12.494 4.472 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.250 11.941 6.571 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -1.513 10.200 6.720 1.00 0.00 H new ATOM 969 N GLU B 62 -4.238 12.388 0.944 1.00 0.00 N ATOM 970 CA GLU B 62 -5.625 12.602 0.550 1.00 0.00 C ATOM 971 C GLU B 62 -6.182 11.358 -0.133 1.00 0.00 C ATOM 972 O GLU B 62 -7.393 11.160 -0.193 1.00 0.00 O ATOM 973 CB GLU B 62 -5.763 13.817 -0.371 1.00 0.00 C ATOM 974 CG GLU B 62 -5.313 13.567 -1.800 1.00 0.00 C ATOM 975 CD GLU B 62 -5.513 14.774 -2.690 1.00 0.00 C ATOM 976 OE1 GLU B 62 -6.678 15.164 -2.923 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -4.509 15.343 -3.162 1.00 0.00 O ATOM 0 H GLU B 62 -3.551 12.869 0.363 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.201 12.798 1.455 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.805 14.136 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.181 14.641 0.043 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.259 13.289 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.867 12.722 -2.209 1.00 0.00 H new ATOM 984 N LEU B 63 -5.291 10.511 -0.628 1.00 0.00 N ATOM 985 CA LEU B 63 -5.703 9.292 -1.300 1.00 0.00 C ATOM 986 C LEU B 63 -6.131 8.260 -0.269 1.00 0.00 C ATOM 987 O LEU B 63 -7.101 7.534 -0.461 1.00 0.00 O ATOM 988 CB LEU B 63 -4.564 8.755 -2.165 1.00 0.00 C ATOM 989 CG LEU B 63 -4.057 9.731 -3.230 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.820 9.179 -3.916 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.145 10.026 -4.251 1.00 0.00 C ATOM 0 H LEU B 63 -4.281 10.647 -0.576 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.550 9.508 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.732 8.481 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.899 7.842 -2.658 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.789 10.665 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.475 9.887 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.034 9.023 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.062 8.230 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.764 10.722 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.447 9.099 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.005 10.469 -3.749 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.423 8.234 0.850 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.755 7.332 1.945 1.00 0.00 C ATOM 1005 C LEU B 64 -7.067 7.732 2.608 1.00 0.00 C ATOM 1006 O LEU B 64 -7.651 6.953 3.354 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.627 7.312 2.977 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.431 6.437 2.609 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -2.238 6.777 3.484 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.790 4.964 2.754 1.00 0.00 C ATOM 0 H LEU B 64 -4.613 8.828 1.025 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.875 6.331 1.532 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.277 8.333 3.131 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -5.031 6.967 3.929 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.166 6.631 1.570 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.394 6.145 3.210 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.969 7.824 3.342 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.494 6.607 4.530 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.928 4.352 2.488 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -4.077 4.759 3.785 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.622 4.725 2.092 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.540 8.940 2.315 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.797 9.426 2.873 1.00 0.00 C ATOM 1024 C LYS B 65 -9.977 8.640 2.307 1.00 0.00 C ATOM 1025 O LYS B 65 -11.087 8.693 2.839 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.969 10.922 2.594 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.860 11.784 3.181 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.850 11.753 4.704 1.00 0.00 C ATOM 1029 CE LYS B 65 -9.049 12.480 5.296 1.00 0.00 C ATOM 1030 NZ LYS B 65 -9.037 13.931 4.965 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.071 9.600 1.694 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.770 9.277 3.952 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.008 11.080 1.516 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.926 11.251 2.999 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -6.897 11.438 2.806 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -7.983 12.812 2.841 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.848 10.718 5.046 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -6.931 12.211 5.070 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.968 12.030 4.921 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.051 12.355 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -9.696 14.436 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.077 14.309 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.330 14.064 3.976 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.730 7.911 1.228 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.726 7.016 0.666 1.00 0.00 C ATOM 1046 C TYR B 66 -10.535 5.620 1.251 1.00 0.00 C ATOM 1047 O TYR B 66 -9.418 5.097 1.278 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.597 6.948 -0.859 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.642 8.291 -1.559 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.851 8.922 -1.824 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.470 8.920 -1.961 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.888 10.143 -2.472 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.499 10.139 -2.610 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.710 10.746 -2.862 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.744 11.959 -3.513 1.00 0.00 O ATOM 0 H TYR B 66 -8.843 7.924 0.724 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.717 7.396 0.915 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.658 6.455 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.399 6.323 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.775 8.452 -1.520 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.519 8.447 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.835 10.622 -2.672 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.579 10.613 -2.918 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.830 12.246 -3.717 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.619 5.014 1.716 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.550 3.681 2.311 1.00 0.00 C ATOM 1067 C ASN B 67 -11.372 2.623 1.232 1.00 0.00 C ATOM 1068 O ASN B 67 -10.973 1.495 1.512 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.801 3.382 3.141 1.00 0.00 C ATOM 1070 CG ASN B 67 -12.877 4.219 4.407 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -11.849 4.610 4.969 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.088 4.482 4.873 1.00 0.00 N ATOM 0 H ASN B 67 -12.554 5.420 1.694 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.686 3.656 2.975 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.688 3.567 2.534 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.811 2.325 3.408 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.198 5.027 5.728 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -14.911 4.139 4.377 1.00 0.00 H new ATOM 1079 N THR B 68 -11.648 3.012 -0.005 1.00 0.00 N ATOM 1080 CA THR B 68 -11.460 2.145 -1.158 1.00 0.00 C ATOM 1081 C THR B 68 -9.972 1.908 -1.372 1.00 0.00 C ATOM 1082 O THR B 68 -9.536 0.833 -1.794 1.00 0.00 O ATOM 1083 CB THR B 68 -12.073 2.799 -2.416 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.477 3.008 -2.220 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.841 1.958 -3.662 1.00 0.00 C ATOM 0 H THR B 68 -12.008 3.938 -0.237 1.00 0.00 H new ATOM 0 HA THR B 68 -11.958 1.192 -0.979 1.00 0.00 H new ATOM 0 HB THR B 68 -11.576 3.757 -2.568 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.861 3.424 -3.020 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.288 2.454 -4.524 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.770 1.839 -3.827 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.299 0.978 -3.530 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.207 2.934 -1.045 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.764 2.895 -1.140 1.00 0.00 C ATOM 1095 C VAL B 69 -7.189 2.055 -0.017 1.00 0.00 C ATOM 1096 O VAL B 69 -6.451 1.099 -0.262 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.203 4.319 -1.067 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.687 4.317 -1.070 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.742 5.131 -2.221 1.00 0.00 C ATOM 0 H VAL B 69 -9.575 3.822 -0.704 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.483 2.446 -2.093 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.523 4.772 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.322 5.343 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.322 3.757 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.326 3.850 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.344 6.144 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.442 4.670 -3.162 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.830 5.166 -2.165 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.549 2.421 1.211 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.139 1.665 2.399 1.00 0.00 C ATOM 1111 C LYS B 70 -7.384 0.169 2.204 1.00 0.00 C ATOM 1112 O LYS B 70 -6.513 -0.652 2.478 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.904 2.103 3.653 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.722 3.551 4.077 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.254 3.744 5.494 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.267 5.200 5.928 1.00 0.00 C ATOM 1117 NZ LYS B 70 -9.305 5.984 5.208 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.125 3.238 1.413 1.00 0.00 H new ATOM 0 HA LYS B 70 -6.076 1.866 2.534 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.966 1.926 3.486 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.600 1.463 4.481 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.667 3.822 4.034 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.249 4.211 3.388 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -9.266 3.343 5.554 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -7.641 3.169 6.188 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -8.448 5.257 7.001 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -7.287 5.642 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -9.519 6.850 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.954 6.239 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -10.169 5.412 5.114 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.577 -0.164 1.714 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.986 -1.550 1.519 1.00 0.00 C ATOM 1133 C PHE B 71 -7.994 -2.309 0.644 1.00 0.00 C ATOM 1134 O PHE B 71 -7.513 -3.378 1.014 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.379 -1.594 0.886 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.785 -2.952 0.387 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.206 -3.935 1.267 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.751 -3.240 -0.968 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.585 -5.180 0.804 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.127 -4.482 -1.436 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.545 -5.454 -0.549 1.00 0.00 C ATOM 0 H PHE B 71 -9.284 0.519 1.442 1.00 0.00 H new ATOM 0 HA PHE B 71 -9.010 -2.035 2.495 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.110 -1.255 1.620 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.411 -0.889 0.055 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.238 -3.726 2.326 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.426 -2.483 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.912 -5.939 1.500 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.094 -4.694 -2.495 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.840 -6.427 -0.913 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.683 -1.743 -0.510 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.824 -2.410 -1.476 1.00 0.00 C ATOM 1153 C HIS B 72 -5.383 -2.469 -0.990 1.00 0.00 C ATOM 1154 O HIS B 72 -4.669 -3.431 -1.265 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.912 -1.712 -2.832 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.156 -2.057 -3.591 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.240 -1.213 -3.695 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.484 -3.174 -4.283 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.181 -1.798 -4.414 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.748 -2.986 -4.783 1.00 0.00 N ATOM 0 H HIS B 72 -8.012 -0.823 -0.802 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.174 -3.436 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.873 -0.633 -2.682 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.042 -1.982 -3.430 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.306 -0.283 -3.282 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.866 -4.050 -4.416 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.144 -1.374 -4.658 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.967 -1.451 -0.251 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.617 -1.413 0.292 1.00 0.00 C ATOM 1171 C LEU B 73 -3.476 -2.398 1.449 1.00 0.00 C ATOM 1172 O LEU B 73 -2.433 -3.024 1.624 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.265 -0.001 0.759 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.257 1.071 -0.335 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.877 2.418 0.253 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.304 0.693 -1.458 1.00 0.00 C ATOM 0 H LEU B 73 -5.542 -0.643 -0.014 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.925 -1.702 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.976 0.296 1.530 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.281 -0.026 1.226 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.261 1.141 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.875 3.171 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.599 2.697 1.020 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.883 2.354 0.697 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.316 1.470 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.294 0.592 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.617 -0.254 -1.898 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.532 -2.544 2.233 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.520 -3.472 3.353 1.00 0.00 C ATOM 1190 C ALA B 74 -4.415 -4.908 2.865 1.00 0.00 C ATOM 1191 O ALA B 74 -3.793 -5.750 3.515 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.759 -3.296 4.206 1.00 0.00 C ATOM 0 H ALA B 74 -5.407 -2.033 2.115 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.644 -3.252 3.963 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.731 -3.999 5.038 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.793 -2.277 4.593 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.646 -3.484 3.602 1.00 0.00 H new ATOM 1198 N LYS B 75 -5.012 -5.182 1.712 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.960 -6.514 1.129 1.00 0.00 C ATOM 1200 C LYS B 75 -3.526 -6.906 0.795 1.00 0.00 C ATOM 1201 O LYS B 75 -3.167 -8.081 0.877 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.834 -6.599 -0.124 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.317 -6.426 0.159 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.162 -6.659 -1.085 1.00 0.00 C ATOM 1205 CE LYS B 75 -8.059 -8.099 -1.568 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.919 -8.354 -2.753 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.537 -4.500 1.164 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.348 -7.214 1.869 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.516 -5.834 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.674 -7.564 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.621 -7.122 0.940 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.499 -5.421 0.539 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -9.203 -6.420 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.838 -5.984 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.022 -8.324 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.346 -8.773 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.818 -9.346 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.912 -8.165 -2.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.630 -7.730 -3.533 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.700 -5.929 0.434 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.307 -6.214 0.132 1.00 0.00 C ATOM 1222 C VAL B 76 -0.509 -6.308 1.429 1.00 0.00 C ATOM 1223 O VAL B 76 0.426 -7.094 1.536 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.666 -5.170 -0.827 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.644 -4.782 -1.920 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.168 -3.935 -0.091 1.00 0.00 C ATOM 0 H VAL B 76 -2.968 -4.949 0.345 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.279 -7.170 -0.392 1.00 0.00 H new ATOM 0 HB VAL B 76 0.205 -5.643 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.179 -4.051 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.919 -5.667 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.538 -4.348 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.270 -3.238 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.003 -3.455 0.420 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.586 -4.227 0.641 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.919 -5.529 2.429 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.272 -5.542 3.736 1.00 0.00 C ATOM 1238 C TYR B 77 -0.394 -6.918 4.383 1.00 0.00 C ATOM 1239 O TYR B 77 0.559 -7.417 4.980 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.880 -4.467 4.644 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.395 -4.523 6.079 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.958 -4.637 6.372 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.292 -4.470 7.138 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.404 -4.695 7.677 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.853 -4.526 8.449 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.495 -4.639 8.711 1.00 0.00 C ATOM 1247 OH TYR B 77 0.937 -4.696 10.014 1.00 0.00 O ATOM 0 H TYR B 77 -1.701 -4.878 2.356 1.00 0.00 H new ATOM 0 HA TYR B 77 0.786 -5.321 3.598 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.649 -3.485 4.232 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.965 -4.569 4.634 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.674 -4.681 5.564 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.349 -4.384 6.935 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.460 -4.784 7.886 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.563 -4.481 9.262 1.00 0.00 H new ATOM 0 HH TYR B 77 0.170 -4.643 10.622 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.567 -7.531 4.237 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.816 -8.862 4.788 1.00 0.00 C ATOM 1259 C ARG B 78 -0.845 -9.878 4.206 1.00 0.00 C ATOM 1260 O ARG B 78 -0.547 -10.902 4.822 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.247 -9.298 4.503 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.274 -8.363 5.101 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.665 -8.969 5.082 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.114 -9.282 3.725 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.392 -9.384 3.362 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.362 -9.204 4.249 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -7.695 -9.680 2.106 1.00 0.00 N ATOM 0 H ARG B 78 -2.361 -7.127 3.741 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.667 -8.812 5.867 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.397 -9.354 3.425 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.402 -10.302 4.899 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.995 -8.125 6.127 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.278 -7.425 4.546 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.672 -9.878 5.684 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -6.368 -8.276 5.544 1.00 0.00 H new ATOM 0 HE ARG B 78 -5.402 -9.432 3.010 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -8.132 -8.985 5.218 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.337 -9.284 3.961 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -6.952 -9.828 1.423 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -8.671 -9.759 1.822 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.358 -9.578 3.012 1.00 0.00 N ATOM 1282 CA ILE B 79 0.605 -10.430 2.337 1.00 0.00 C ATOM 1283 C ILE B 79 1.967 -10.358 3.013 1.00 0.00 C ATOM 1284 O ILE B 79 2.518 -11.382 3.394 1.00 0.00 O ATOM 1285 CB ILE B 79 0.766 -10.049 0.854 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.571 -10.156 0.125 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.811 -10.936 0.184 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.498 -9.710 -1.316 1.00 0.00 C ATOM 0 H ILE B 79 -0.618 -8.743 2.488 1.00 0.00 H new ATOM 0 HA ILE B 79 0.217 -11.447 2.400 1.00 0.00 H new ATOM 0 HB ILE B 79 1.106 -9.015 0.800 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.917 -11.189 0.162 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.313 -9.553 0.649 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.911 -10.652 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.770 -10.812 0.687 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.499 -11.978 0.249 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.480 -9.810 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.182 -8.668 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.221 -10.329 -1.853 1.00 0.00 H new ATOM 1300 N LEU B 80 2.493 -9.145 3.177 1.00 0.00 N ATOM 1301 CA LEU B 80 3.847 -8.965 3.713 1.00 0.00 C ATOM 1302 C LEU B 80 3.980 -9.546 5.118 1.00 0.00 C ATOM 1303 O LEU B 80 5.074 -9.922 5.541 1.00 0.00 O ATOM 1304 CB LEU B 80 4.262 -7.483 3.727 1.00 0.00 C ATOM 1305 CG LEU B 80 4.580 -6.852 2.361 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.399 -7.800 1.499 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.312 -6.429 1.647 1.00 0.00 C ATOM 0 H LEU B 80 2.009 -8.277 2.949 1.00 0.00 H new ATOM 0 HA LEU B 80 4.516 -9.508 3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.461 -6.908 4.192 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.140 -7.379 4.365 1.00 0.00 H new ATOM 0 HG LEU B 80 5.178 -5.958 2.538 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.610 -7.329 0.539 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.337 -8.032 2.003 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.838 -8.720 1.336 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.567 -5.986 0.684 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.676 -7.300 1.489 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.780 -5.696 2.254 1.00 0.00 H new ATOM 1319 N SER B 81 2.872 -9.612 5.839 1.00 0.00 N ATOM 1320 CA SER B 81 2.873 -10.184 7.174 1.00 0.00 C ATOM 1321 C SER B 81 2.672 -11.701 7.131 1.00 0.00 C ATOM 1322 O SER B 81 3.046 -12.408 8.070 1.00 0.00 O ATOM 1323 CB SER B 81 1.788 -9.518 8.020 1.00 0.00 C ATOM 1324 OG SER B 81 0.573 -9.417 7.296 1.00 0.00 O ATOM 0 H SER B 81 1.962 -9.277 5.522 1.00 0.00 H new ATOM 0 HA SER B 81 3.846 -9.997 7.629 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.626 -10.094 8.931 1.00 0.00 H new ATOM 0 HB3 SER B 81 2.118 -8.525 8.325 1.00 0.00 H new ATOM 0 HG SER B 81 -0.107 -8.989 7.857 1.00 0.00 H new ATOM 1330 N SER B 82 2.100 -12.199 6.034 1.00 0.00 N ATOM 1331 CA SER B 82 1.809 -13.623 5.894 1.00 0.00 C ATOM 1332 C SER B 82 1.261 -13.953 4.502 1.00 0.00 C ATOM 1333 O SER B 82 0.143 -13.562 4.156 1.00 0.00 O ATOM 1334 CB SER B 82 0.799 -14.048 6.962 1.00 0.00 C ATOM 1335 OG SER B 82 -0.316 -13.167 6.984 1.00 0.00 O ATOM 0 H SER B 82 1.829 -11.634 5.229 1.00 0.00 H new ATOM 0 HA SER B 82 2.741 -14.172 6.025 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.460 -15.065 6.764 1.00 0.00 H new ATOM 0 HB3 SER B 82 1.280 -14.057 7.940 1.00 0.00 H new ATOM 0 HG SER B 82 -0.498 -12.847 6.076 1.00 0.00 H new ATOM 1341 N THR B 83 2.044 -14.671 3.705 1.00 0.00 N ATOM 1342 CA THR B 83 1.586 -15.102 2.391 1.00 0.00 C ATOM 1343 C THR B 83 0.703 -16.342 2.516 1.00 0.00 C ATOM 1344 O THR B 83 -0.389 -16.399 1.946 1.00 0.00 O ATOM 1345 CB THR B 83 2.762 -15.381 1.418 1.00 0.00 C ATOM 1346 OG1 THR B 83 2.276 -15.946 0.191 1.00 0.00 O ATOM 1347 CG2 THR B 83 3.800 -16.307 2.038 1.00 0.00 C ATOM 0 H THR B 83 2.991 -14.965 3.944 1.00 0.00 H new ATOM 0 HA THR B 83 1.004 -14.282 1.971 1.00 0.00 H new ATOM 0 HB THR B 83 3.244 -14.426 1.209 1.00 0.00 H new ATOM 0 HG1 THR B 83 3.029 -16.115 -0.412 1.00 0.00 H new ATOM 0 HG21 THR B 83 4.607 -16.478 1.325 1.00 0.00 H new ATOM 0 HG22 THR B 83 4.204 -15.848 2.941 1.00 0.00 H new ATOM 0 HG23 THR B 83 3.333 -17.259 2.292 1.00 0.00 H new ATOM 1355 N VAL B 84 1.167 -17.318 3.288 1.00 0.00 N ATOM 1356 CA VAL B 84 0.440 -18.561 3.480 1.00 0.00 C ATOM 1357 C VAL B 84 0.496 -18.982 4.941 1.00 0.00 C ATOM 1358 O VAL B 84 1.426 -18.624 5.665 1.00 0.00 O ATOM 1359 CB VAL B 84 1.010 -19.707 2.609 1.00 0.00 C ATOM 1360 CG1 VAL B 84 0.862 -19.397 1.127 1.00 0.00 C ATOM 1361 CG2 VAL B 84 2.468 -19.982 2.955 1.00 0.00 C ATOM 0 H VAL B 84 2.051 -17.268 3.794 1.00 0.00 H new ATOM 0 HA VAL B 84 -0.591 -18.377 3.178 1.00 0.00 H new ATOM 0 HB VAL B 84 0.432 -20.605 2.826 1.00 0.00 H new ATOM 0 HG11 VAL B 84 1.271 -20.220 0.541 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -0.193 -19.269 0.886 1.00 0.00 H new ATOM 0 HG13 VAL B 84 1.402 -18.480 0.891 1.00 0.00 H new ATOM 0 HG21 VAL B 84 2.844 -20.791 2.329 1.00 0.00 H new ATOM 0 HG22 VAL B 84 3.059 -19.083 2.780 1.00 0.00 H new ATOM 0 HG23 VAL B 84 2.545 -20.269 4.004 1.00 0.00 H new ATOM 1371 N ASN B 85 -0.488 -19.757 5.364 1.00 0.00 N ATOM 1372 CA ASN B 85 -0.551 -20.242 6.742 1.00 0.00 C ATOM 1373 C ASN B 85 0.340 -21.465 6.936 1.00 0.00 C ATOM 1374 O ASN B 85 0.006 -22.387 7.679 1.00 0.00 O ATOM 1375 CB ASN B 85 -2.002 -20.551 7.144 1.00 0.00 C ATOM 1376 CG ASN B 85 -2.764 -21.400 6.132 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -2.099 -22.352 5.494 1.00 0.00 O flip ATOM 1378 ND2 ASN B 85 -3.963 -21.203 5.939 1.00 0.00 N flip ATOM 0 H ASN B 85 -1.260 -20.068 4.774 1.00 0.00 H new ATOM 0 HA ASN B 85 -0.178 -19.452 7.394 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -1.999 -21.066 8.105 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -2.535 -19.611 7.288 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -4.446 -20.462 6.446 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -4.474 -21.781 5.272 1.00 0.00 H new ATOM 1385 N ASP B 86 1.470 -21.466 6.246 1.00 0.00 N ATOM 1386 CA ASP B 86 2.424 -22.562 6.325 1.00 0.00 C ATOM 1387 C ASP B 86 3.758 -22.074 6.868 1.00 0.00 C ATOM 1388 O ASP B 86 4.510 -22.835 7.477 1.00 0.00 O ATOM 1389 CB ASP B 86 2.632 -23.201 4.949 1.00 0.00 C ATOM 1390 CG ASP B 86 1.423 -23.975 4.466 1.00 0.00 C ATOM 1391 OD1 ASP B 86 0.489 -23.355 3.916 1.00 0.00 O ATOM 1392 OD2 ASP B 86 1.406 -25.215 4.625 1.00 0.00 O1- ATOM 0 H ASP B 86 1.751 -20.712 5.619 1.00 0.00 H new ATOM 0 HA ASP B 86 2.016 -23.311 7.004 1.00 0.00 H new ATOM 0 HB2 ASP B 86 2.870 -22.422 4.225 1.00 0.00 H new ATOM 0 HB3 ASP B 86 3.491 -23.870 4.992 1.00 0.00 H new ATOM 1397 N GLY B 87 4.047 -20.798 6.645 1.00 0.00 N ATOM 1398 CA GLY B 87 5.290 -20.227 7.125 1.00 0.00 C ATOM 1399 C GLY B 87 6.358 -20.168 6.052 1.00 0.00 C ATOM 1400 O GLY B 87 7.503 -19.816 6.341 1.00 0.00 O ATOM 0 H GLY B 87 3.443 -20.149 6.141 1.00 0.00 H new ATOM 0 HA2 GLY B 87 5.102 -19.221 7.501 1.00 0.00 H new ATOM 0 HA3 GLY B 87 5.656 -20.818 7.965 1.00 0.00 H new ATOM 1404 N SER B 88 5.973 -20.506 4.819 1.00 0.00 N ATOM 1405 CA SER B 88 6.867 -20.488 3.669 1.00 0.00 C ATOM 1406 C SER B 88 7.991 -21.526 3.784 1.00 0.00 C ATOM 1407 O SER B 88 8.742 -21.562 4.760 1.00 0.00 O ATOM 1408 CB SER B 88 7.431 -19.087 3.493 1.00 0.00 C ATOM 1409 OG SER B 88 6.416 -18.174 3.112 1.00 0.00 O ATOM 0 H SER B 88 5.023 -20.802 4.594 1.00 0.00 H new ATOM 0 HA SER B 88 6.289 -20.762 2.786 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.891 -18.757 4.424 1.00 0.00 H new ATOM 0 HB3 SER B 88 8.216 -19.100 2.737 1.00 0.00 H new ATOM 0 HG SER B 88 6.695 -17.262 3.337 1.00 0.00 H new ATOM 1415 N SER B 89 8.100 -22.366 2.768 1.00 0.00 N ATOM 1416 CA SER B 89 9.102 -23.420 2.741 1.00 0.00 C ATOM 1417 C SER B 89 10.368 -22.930 2.036 1.00 0.00 C ATOM 1418 O SER B 89 10.328 -21.970 1.262 1.00 0.00 O ATOM 1419 CB SER B 89 8.525 -24.647 2.023 1.00 0.00 C ATOM 1420 OG SER B 89 9.372 -25.779 2.140 1.00 0.00 O ATOM 0 H SER B 89 7.501 -22.338 1.943 1.00 0.00 H new ATOM 0 HA SER B 89 9.368 -23.695 3.762 1.00 0.00 H new ATOM 0 HB2 SER B 89 7.545 -24.883 2.439 1.00 0.00 H new ATOM 0 HB3 SER B 89 8.376 -24.413 0.969 1.00 0.00 H new ATOM 0 HG SER B 89 8.969 -26.539 1.671 1.00 0.00 H new ATOM 1426 N GLY B 90 11.492 -23.576 2.319 1.00 0.00 N ATOM 1427 CA GLY B 90 12.736 -23.238 1.647 1.00 0.00 C ATOM 1428 C GLY B 90 13.571 -22.244 2.420 1.00 0.00 C ATOM 1429 O GLY B 90 14.550 -21.713 1.898 1.00 0.00 O ATOM 0 H GLY B 90 11.566 -24.329 3.003 1.00 0.00 H new ATOM 0 HA2 GLY B 90 13.316 -24.147 1.489 1.00 0.00 H new ATOM 0 HA3 GLY B 90 12.511 -22.828 0.662 1.00 0.00 H new ATOM 1433 N LYS B 91 13.166 -21.986 3.660 1.00 0.00 N ATOM 1434 CA LYS B 91 13.869 -21.072 4.563 1.00 0.00 C ATOM 1435 C LYS B 91 13.811 -19.630 4.068 1.00 0.00 C ATOM 1436 O LYS B 91 14.454 -18.738 4.624 1.00 0.00 O ATOM 1437 CB LYS B 91 15.325 -21.504 4.753 1.00 0.00 C ATOM 1438 CG LYS B 91 15.484 -22.916 5.293 1.00 0.00 C ATOM 1439 CD LYS B 91 14.907 -23.059 6.692 1.00 0.00 C ATOM 1440 CE LYS B 91 15.089 -24.472 7.219 1.00 0.00 C ATOM 1441 NZ LYS B 91 16.518 -24.880 7.221 1.00 0.00 N1+ ATOM 0 H LYS B 91 12.334 -22.408 4.073 1.00 0.00 H new ATOM 0 HA LYS B 91 13.359 -21.118 5.525 1.00 0.00 H new ATOM 0 HB2 LYS B 91 15.843 -21.431 3.797 1.00 0.00 H new ATOM 0 HB3 LYS B 91 15.814 -20.808 5.434 1.00 0.00 H new ATOM 0 HG2 LYS B 91 14.988 -23.618 4.623 1.00 0.00 H new ATOM 0 HG3 LYS B 91 16.541 -23.182 5.308 1.00 0.00 H new ATOM 0 HD2 LYS B 91 15.394 -22.352 7.363 1.00 0.00 H new ATOM 0 HD3 LYS B 91 13.847 -22.807 6.679 1.00 0.00 H new ATOM 0 HE2 LYS B 91 14.691 -24.536 8.232 1.00 0.00 H new ATOM 0 HE3 LYS B 91 14.514 -25.166 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 16.642 -25.709 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 16.811 -25.122 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 17.102 -24.096 7.574 1.00 0.00 H new ATOM 1455 N MET B 92 13.029 -19.415 3.029 1.00 0.00 N ATOM 1456 CA MET B 92 12.857 -18.109 2.430 1.00 0.00 C ATOM 1457 C MET B 92 11.452 -17.606 2.701 1.00 0.00 C ATOM 1458 O MET B 92 10.541 -18.409 2.914 1.00 0.00 O ATOM 1459 CB MET B 92 13.089 -18.211 0.931 1.00 0.00 C ATOM 1460 CG MET B 92 12.169 -19.217 0.271 1.00 0.00 C ATOM 1461 SD MET B 92 12.327 -19.244 -1.519 1.00 0.00 S ATOM 1462 CE MET B 92 11.963 -17.534 -1.874 1.00 0.00 C ATOM 0 H MET B 92 12.490 -20.151 2.573 1.00 0.00 H new ATOM 0 HA MET B 92 13.574 -17.410 2.861 1.00 0.00 H new ATOM 0 HB2 MET B 92 12.939 -17.232 0.476 1.00 0.00 H new ATOM 0 HB3 MET B 92 14.125 -18.494 0.745 1.00 0.00 H new ATOM 0 HG2 MET B 92 12.384 -20.211 0.664 1.00 0.00 H new ATOM 0 HG3 MET B 92 11.137 -18.986 0.536 1.00 0.00 H new ATOM 0 HE1 MET B 92 11.344 -17.472 -2.769 1.00 0.00 H new ATOM 0 HE2 MET B 92 11.428 -17.093 -1.032 1.00 0.00 H new ATOM 0 HE3 MET B 92 12.893 -16.990 -2.037 1.00 0.00 H new ATOM 1472 N ASN B 93 11.265 -16.296 2.700 1.00 0.00 N ATOM 1473 CA ASN B 93 9.943 -15.738 2.941 1.00 0.00 C ATOM 1474 C ASN B 93 9.817 -14.313 2.425 1.00 0.00 C ATOM 1475 O ASN B 93 9.096 -14.067 1.461 1.00 0.00 O ATOM 1476 CB ASN B 93 9.604 -15.791 4.434 1.00 0.00 C ATOM 1477 CG ASN B 93 8.233 -15.215 4.755 1.00 0.00 C ATOM 1478 OD1 ASN B 93 7.305 -15.320 3.819 1.00 0.00 O flip ATOM 1479 ND2 ASN B 93 8.010 -14.684 5.842 1.00 0.00 N flip ATOM 0 H ASN B 93 12.000 -15.607 2.538 1.00 0.00 H new ATOM 0 HA ASN B 93 9.231 -16.350 2.387 1.00 0.00 H new ATOM 0 HB2 ASN B 93 9.645 -16.826 4.773 1.00 0.00 H new ATOM 0 HB3 ASN B 93 10.362 -15.242 4.992 1.00 0.00 H new ATOM 0 HD21 ASN B 93 8.751 -14.621 6.540 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.084 -14.307 6.045 1.00 0.00 H new ATOM 1486 N SER B 94 10.528 -13.385 3.044 1.00 0.00 N ATOM 1487 CA SER B 94 10.336 -11.966 2.779 1.00 0.00 C ATOM 1488 C SER B 94 10.575 -11.601 1.312 1.00 0.00 C ATOM 1489 O SER B 94 9.927 -10.700 0.779 1.00 0.00 O ATOM 1490 CB SER B 94 11.241 -11.150 3.691 1.00 0.00 C ATOM 1491 OG SER B 94 10.929 -11.392 5.053 1.00 0.00 O ATOM 0 H SER B 94 11.248 -13.589 3.737 1.00 0.00 H new ATOM 0 HA SER B 94 9.293 -11.730 2.989 1.00 0.00 H new ATOM 0 HB2 SER B 94 12.283 -11.405 3.501 1.00 0.00 H new ATOM 0 HB3 SER B 94 11.127 -10.089 3.470 1.00 0.00 H new ATOM 0 HG SER B 94 11.522 -10.860 5.624 1.00 0.00 H new ATOM 1497 N ASP B 95 11.474 -12.316 0.648 1.00 0.00 N ATOM 1498 CA ASP B 95 11.771 -12.032 -0.756 1.00 0.00 C ATOM 1499 C ASP B 95 10.619 -12.487 -1.639 1.00 0.00 C ATOM 1500 O ASP B 95 10.328 -11.880 -2.671 1.00 0.00 O ATOM 1501 CB ASP B 95 13.068 -12.714 -1.195 1.00 0.00 C ATOM 1502 CG ASP B 95 13.391 -12.459 -2.657 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.842 -11.341 -2.984 1.00 0.00 O ATOM 1504 OD2 ASP B 95 13.212 -13.382 -3.483 1.00 0.00 O1- ATOM 0 H ASP B 95 12.006 -13.088 1.050 1.00 0.00 H new ATOM 0 HA ASP B 95 11.900 -10.955 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.891 -12.356 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP B 95 12.986 -13.788 -1.026 1.00 0.00 H new ATOM 1509 N LEU B 96 9.948 -13.545 -1.205 1.00 0.00 N ATOM 1510 CA LEU B 96 8.817 -14.087 -1.938 1.00 0.00 C ATOM 1511 C LEU B 96 7.584 -13.228 -1.667 1.00 0.00 C ATOM 1512 O LEU B 96 6.717 -13.076 -2.527 1.00 0.00 O ATOM 1513 CB LEU B 96 8.601 -15.567 -1.547 1.00 0.00 C ATOM 1514 CG LEU B 96 7.518 -15.876 -0.504 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.147 -15.970 -1.154 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.849 -17.172 0.218 1.00 0.00 C ATOM 0 H LEU B 96 10.170 -14.046 -0.345 1.00 0.00 H new ATOM 0 HA LEU B 96 9.010 -14.062 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.362 -16.123 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.548 -15.957 -1.174 1.00 0.00 H new ATOM 0 HG LEU B 96 7.493 -15.060 0.219 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.398 -16.190 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.907 -15.022 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.151 -16.765 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.076 -17.385 0.957 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.897 -17.988 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.812 -17.074 0.719 1.00 0.00 H new ATOM 1528 N GLN B 97 7.533 -12.647 -0.472 1.00 0.00 N ATOM 1529 CA GLN B 97 6.437 -11.766 -0.090 1.00 0.00 C ATOM 1530 C GLN B 97 6.384 -10.555 -1.005 1.00 0.00 C ATOM 1531 O GLN B 97 5.304 -10.104 -1.387 1.00 0.00 O ATOM 1532 CB GLN B 97 6.591 -11.305 1.362 1.00 0.00 C ATOM 1533 CG GLN B 97 6.611 -12.445 2.368 1.00 0.00 C ATOM 1534 CD GLN B 97 5.226 -12.935 2.744 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.261 -12.743 1.860 1.00 0.00 O flip ATOM 1536 NE2 GLN B 97 5.021 -13.471 3.832 1.00 0.00 N flip ATOM 0 H GLN B 97 8.242 -12.772 0.251 1.00 0.00 H new ATOM 0 HA GLN B 97 5.507 -12.327 -0.185 1.00 0.00 H new ATOM 0 HB2 GLN B 97 7.514 -10.733 1.456 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.771 -10.630 1.608 1.00 0.00 H new ATOM 0 HG2 GLN B 97 7.183 -13.276 1.955 1.00 0.00 H new ATOM 0 HG3 GLN B 97 7.130 -12.117 3.269 1.00 0.00 H new ATOM 0 HE21 GLN B 97 5.790 -13.602 4.489 1.00 0.00 H new ATOM 0 HE22 GLN B 97 4.082 -13.784 4.077 1.00 0.00 H new ATOM 1545 N LYS B 98 7.561 -10.042 -1.353 1.00 0.00 N ATOM 1546 CA LYS B 98 7.671 -8.914 -2.268 1.00 0.00 C ATOM 1547 C LYS B 98 6.930 -9.199 -3.568 1.00 0.00 C ATOM 1548 O LYS B 98 6.168 -8.365 -4.047 1.00 0.00 O ATOM 1549 CB LYS B 98 9.142 -8.599 -2.565 1.00 0.00 C ATOM 1550 CG LYS B 98 9.734 -7.468 -1.728 1.00 0.00 C ATOM 1551 CD LYS B 98 9.603 -7.725 -0.235 1.00 0.00 C ATOM 1552 CE LYS B 98 10.292 -6.643 0.588 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.705 -5.294 0.353 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.456 -10.393 -1.012 1.00 0.00 H new ATOM 0 HA LYS B 98 7.216 -8.048 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.732 -9.501 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.238 -8.341 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.787 -7.344 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS B 98 9.233 -6.533 -1.979 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.548 -7.770 0.035 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.036 -8.696 0.006 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.215 -6.891 1.647 1.00 0.00 H new ATOM 0 HE3 LYS B 98 11.354 -6.623 0.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.847 -4.702 1.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.171 -4.850 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.687 -5.387 0.163 1.00 0.00 H new ATOM 1567 N GLU B 99 7.130 -10.395 -4.111 1.00 0.00 N ATOM 1568 CA GLU B 99 6.519 -10.771 -5.380 1.00 0.00 C ATOM 1569 C GLU B 99 4.999 -10.707 -5.293 1.00 0.00 C ATOM 1570 O GLU B 99 4.354 -9.985 -6.053 1.00 0.00 O ATOM 1571 CB GLU B 99 6.950 -12.180 -5.786 1.00 0.00 C ATOM 1572 CG GLU B 99 6.580 -12.542 -7.213 1.00 0.00 C ATOM 1573 CD GLU B 99 7.146 -13.877 -7.640 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.352 -13.932 -7.970 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.389 -14.872 -7.663 1.00 0.00 O1- ATOM 0 H GLU B 99 7.711 -11.121 -3.692 1.00 0.00 H new ATOM 0 HA GLU B 99 6.857 -10.061 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.030 -12.269 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.493 -12.900 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU B 99 5.494 -12.565 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU B 99 6.943 -11.766 -7.887 1.00 0.00 H new ATOM 1582 N LEU B 100 4.438 -11.459 -4.353 1.00 0.00 N ATOM 1583 CA LEU B 100 2.988 -11.551 -4.196 1.00 0.00 C ATOM 1584 C LEU B 100 2.378 -10.185 -3.922 1.00 0.00 C ATOM 1585 O LEU B 100 1.320 -9.849 -4.456 1.00 0.00 O ATOM 1586 CB LEU B 100 2.619 -12.512 -3.059 1.00 0.00 C ATOM 1587 CG LEU B 100 2.711 -14.009 -3.383 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.758 -14.374 -4.511 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.136 -14.403 -3.736 1.00 0.00 C ATOM 0 H LEU B 100 4.967 -12.018 -3.684 1.00 0.00 H new ATOM 0 HA LEU B 100 2.585 -11.936 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.270 -12.304 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.600 -12.292 -2.741 1.00 0.00 H new ATOM 0 HG LEU B 100 2.418 -14.565 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.839 -15.440 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.736 -14.140 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.016 -13.804 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.174 -15.469 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.465 -13.836 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.793 -14.187 -2.893 1.00 0.00 H new ATOM 1601 N ALA B 101 3.056 -9.401 -3.098 1.00 0.00 N ATOM 1602 CA ALA B 101 2.579 -8.077 -2.745 1.00 0.00 C ATOM 1603 C ALA B 101 2.512 -7.174 -3.976 1.00 0.00 C ATOM 1604 O ALA B 101 1.506 -6.504 -4.207 1.00 0.00 O ATOM 1605 CB ALA B 101 3.457 -7.469 -1.662 1.00 0.00 C ATOM 0 H ALA B 101 3.940 -9.661 -2.661 1.00 0.00 H new ATOM 0 HA ALA B 101 1.567 -8.169 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.086 -6.476 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.433 -8.103 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.482 -7.392 -2.025 1.00 0.00 H new ATOM 1611 N VAL B 102 3.572 -7.187 -4.784 1.00 0.00 N ATOM 1612 CA VAL B 102 3.613 -6.387 -6.009 1.00 0.00 C ATOM 1613 C VAL B 102 2.515 -6.820 -6.977 1.00 0.00 C ATOM 1614 O VAL B 102 1.926 -5.990 -7.672 1.00 0.00 O ATOM 1615 CB VAL B 102 4.985 -6.488 -6.717 1.00 0.00 C ATOM 1616 CG1 VAL B 102 4.980 -5.735 -8.040 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.095 -5.963 -5.825 1.00 0.00 C ATOM 0 H VAL B 102 4.412 -7.741 -4.614 1.00 0.00 H new ATOM 0 HA VAL B 102 3.452 -5.350 -5.714 1.00 0.00 H new ATOM 0 HB VAL B 102 5.170 -7.542 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.958 -5.825 -8.513 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.219 -6.157 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.760 -4.683 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.049 -6.045 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.903 -4.918 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.131 -6.549 -4.906 1.00 0.00 H new ATOM 1627 N ASN B 103 2.223 -8.119 -6.994 1.00 0.00 N ATOM 1628 CA ASN B 103 1.207 -8.676 -7.888 1.00 0.00 C ATOM 1629 C ASN B 103 -0.143 -7.994 -7.695 1.00 0.00 C ATOM 1630 O ASN B 103 -0.928 -7.879 -8.637 1.00 0.00 O ATOM 1631 CB ASN B 103 1.057 -10.184 -7.674 1.00 0.00 C ATOM 1632 CG ASN B 103 1.985 -11.002 -8.550 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.650 -11.334 -9.688 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.149 -11.344 -8.026 1.00 0.00 N ATOM 0 H ASN B 103 2.677 -8.809 -6.396 1.00 0.00 H new ATOM 0 HA ASN B 103 1.543 -8.493 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.254 -10.418 -6.628 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.026 -10.473 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.808 -11.903 -8.568 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.389 -11.049 -7.080 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.409 -7.535 -6.479 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.653 -6.841 -6.186 1.00 0.00 C ATOM 1643 C TYR B 104 -1.629 -5.431 -6.760 1.00 0.00 C ATOM 1644 O TYR B 104 -2.575 -5.011 -7.427 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.906 -6.796 -4.681 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.566 -8.040 -4.130 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.099 -9.309 -4.452 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.669 -7.941 -3.290 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.710 -10.441 -3.948 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.285 -9.069 -2.785 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.801 -10.315 -3.115 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.413 -11.441 -2.612 1.00 0.00 O ATOM 0 H TYR B 104 0.220 -7.631 -5.682 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.467 -7.393 -6.656 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.956 -6.643 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.533 -5.934 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.246 -9.412 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.051 -6.965 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.334 -11.420 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.142 -8.974 -2.135 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.165 -11.177 -2.042 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.533 -4.715 -6.530 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.394 -3.347 -7.029 1.00 0.00 C ATOM 1664 C LEU B 105 -0.458 -3.315 -8.551 1.00 0.00 C ATOM 1665 O LEU B 105 -0.900 -2.334 -9.143 1.00 0.00 O ATOM 1666 CB LEU B 105 0.920 -2.700 -6.559 1.00 0.00 C ATOM 1667 CG LEU B 105 0.975 -2.253 -5.090 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.231 -1.395 -4.739 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.070 -3.447 -4.156 1.00 0.00 C ATOM 0 H LEU B 105 0.271 -5.056 -6.003 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.226 -2.774 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.730 -3.409 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.117 -1.832 -7.188 1.00 0.00 H new ATOM 0 HG LEU B 105 1.874 -1.651 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.169 -1.091 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.245 -0.509 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.144 -1.969 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.107 -3.099 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.198 -4.086 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.973 -4.014 -4.381 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.026 -4.399 -9.182 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.035 -4.490 -10.636 1.00 0.00 C ATOM 1683 C ASN B 106 -1.459 -4.525 -11.176 1.00 0.00 C ATOM 1684 O ASN B 106 -1.733 -4.013 -12.261 1.00 0.00 O ATOM 1685 CB ASN B 106 0.739 -5.716 -11.113 1.00 0.00 C ATOM 1686 CG ASN B 106 2.207 -5.629 -10.761 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.747 -4.538 -10.574 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.870 -6.768 -10.692 1.00 0.00 N ATOM 0 H ASN B 106 0.335 -5.228 -8.710 1.00 0.00 H new ATOM 0 HA ASN B 106 0.457 -3.598 -11.023 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.311 -6.613 -10.665 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.630 -5.816 -12.193 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.867 -6.765 -10.477 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.385 -7.651 -10.854 1.00 0.00 H new ATOM 1695 N THR B 107 -2.369 -5.117 -10.410 1.00 0.00 N ATOM 1696 CA THR B 107 -3.769 -5.177 -10.813 1.00 0.00 C ATOM 1697 C THR B 107 -4.494 -3.889 -10.440 1.00 0.00 C ATOM 1698 O THR B 107 -5.634 -3.664 -10.852 1.00 0.00 O ATOM 1699 CB THR B 107 -4.499 -6.380 -10.176 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.461 -6.297 -8.745 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.873 -7.689 -10.627 1.00 0.00 C ATOM 0 H THR B 107 -2.165 -5.559 -9.514 1.00 0.00 H new ATOM 0 HA THR B 107 -3.783 -5.301 -11.896 1.00 0.00 H new ATOM 0 HB THR B 107 -5.538 -6.352 -10.505 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.898 -5.542 -8.476 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.402 -8.523 -10.167 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.941 -7.770 -11.712 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.826 -7.714 -10.327 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.819 -3.045 -9.662 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.397 -1.787 -9.211 1.00 0.00 C ATOM 1711 C LEU B 108 -3.845 -0.618 -10.017 1.00 0.00 C ATOM 1712 O LEU B 108 -4.203 0.536 -9.782 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.119 -1.568 -7.724 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.619 -2.675 -6.795 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.276 -2.353 -5.350 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -6.120 -2.876 -6.956 1.00 0.00 C ATOM 0 H LEU B 108 -2.869 -3.213 -9.332 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.475 -1.840 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -3.044 -1.458 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.578 -0.627 -7.420 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.119 -3.604 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.639 -3.152 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.195 -2.264 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.747 -1.412 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.455 -3.668 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.639 -1.950 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.341 -3.155 -7.986 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.973 -0.925 -10.964 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.408 0.088 -11.843 1.00 0.00 C ATOM 1730 C ARG B 109 -3.317 0.339 -13.036 1.00 0.00 C ATOM 1731 O ARG B 109 -4.234 -0.439 -13.305 1.00 0.00 O ATOM 1732 CB ARG B 109 -1.027 -0.337 -12.338 1.00 0.00 C ATOM 1733 CG ARG B 109 0.105 0.054 -11.407 1.00 0.00 C ATOM 1734 CD ARG B 109 1.445 -0.413 -11.945 1.00 0.00 C ATOM 1735 NE ARG B 109 2.561 0.254 -11.279 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.339 -0.315 -10.363 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.142 -1.579 -10.004 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.328 0.376 -9.812 1.00 0.00 N ATOM 0 H ARG B 109 -2.639 -1.872 -11.145 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.315 1.010 -11.268 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -1.017 -1.419 -12.473 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.850 0.108 -13.317 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.118 1.137 -11.281 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.065 -0.379 -10.421 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.534 -1.491 -11.811 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.493 -0.220 -13.017 1.00 0.00 H new ATOM 0 HE ARG B 109 2.757 1.222 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.390 -2.119 -10.432 1.00 0.00 H new ATOM 0 HH12 ARG B 109 3.743 -2.009 -9.301 1.00 0.00 H new ATOM 0 HH21 ARG B 109 4.491 1.343 -10.091 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.925 -0.060 -9.109 1.00 0.00 H new ATOM 1752 N TYR B 110 -3.054 1.432 -13.740 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.785 1.775 -14.951 1.00 0.00 C ATOM 1754 C TYR B 110 -3.738 0.621 -15.951 1.00 0.00 C ATOM 1755 O TYR B 110 -2.681 0.294 -16.496 1.00 0.00 O ATOM 1756 CB TYR B 110 -3.197 3.047 -15.574 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.861 3.467 -16.868 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -5.097 4.099 -16.867 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.246 3.233 -18.093 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.702 4.485 -18.047 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.845 3.616 -19.277 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.074 4.241 -19.249 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.672 4.627 -20.428 1.00 0.00 O ATOM 0 H TYR B 110 -2.329 2.104 -13.488 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.827 1.959 -14.691 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.279 3.862 -14.855 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.134 2.890 -15.758 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.594 4.292 -15.928 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.284 2.743 -18.119 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.664 4.976 -18.028 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.353 3.427 -20.220 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.096 4.382 -21.182 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.888 0.007 -16.179 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.958 -1.135 -17.066 1.00 0.00 C ATOM 1775 C GLY B 111 -5.088 -2.438 -16.304 1.00 0.00 C ATOM 1776 O GLY B 111 -4.699 -3.498 -16.798 1.00 0.00 O ATOM 0 H GLY B 111 -5.778 0.281 -15.764 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.809 -1.021 -17.737 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -4.063 -1.166 -17.688 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.624 -2.356 -15.094 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.839 -3.539 -14.293 1.00 0.00 C ATOM 1782 C GLY B 112 -7.287 -3.981 -14.313 1.00 0.00 C ATOM 1783 O GLY B 112 -8.015 -3.707 -15.271 1.00 0.00 O ATOM 0 H GLY B 112 -5.915 -1.484 -14.653 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -5.208 -4.347 -14.663 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.534 -3.342 -13.265 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.708 -4.651 -13.254 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.065 -5.177 -13.172 1.00 0.00 C ATOM 1789 C ILE B 113 -9.909 -4.389 -12.179 1.00 0.00 C ATOM 1790 O ILE B 113 -11.021 -3.976 -12.490 1.00 0.00 O ATOM 1791 CB ILE B 113 -9.072 -6.674 -12.792 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.158 -6.941 -11.591 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.649 -7.512 -13.985 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.138 -8.388 -11.143 1.00 0.00 C ATOM 0 H ILE B 113 -7.130 -4.845 -12.436 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.504 -5.070 -14.164 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.086 -6.954 -12.506 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.143 -6.636 -11.845 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.479 -6.317 -10.757 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.656 -8.567 -13.710 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.343 -7.347 -14.810 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.644 -7.224 -14.294 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.469 -8.495 -10.289 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.144 -8.694 -10.856 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.787 -9.017 -11.961 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.376 -4.183 -10.985 1.00 0.00 N ATOM 1807 CA HIS B 114 -10.074 -3.430 -9.953 1.00 0.00 C ATOM 1808 C HIS B 114 -9.217 -2.250 -9.548 1.00 0.00 C ATOM 1809 O HIS B 114 -9.021 -1.979 -8.363 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.356 -4.307 -8.727 1.00 0.00 C ATOM 1811 CG HIS B 114 -11.094 -5.571 -9.039 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.671 -6.809 -8.610 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.231 -5.786 -9.741 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.514 -7.729 -9.033 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.469 -7.135 -9.720 1.00 0.00 N ATOM 0 H HIS B 114 -8.458 -4.528 -10.705 1.00 0.00 H new ATOM 0 HA HIS B 114 -11.029 -3.087 -10.350 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.410 -4.560 -8.249 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.934 -3.730 -8.005 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.837 -5.035 -10.226 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.436 -8.790 -8.848 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.258 -7.604 -10.164 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.695 -1.557 -10.547 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.708 -0.529 -10.303 1.00 0.00 C ATOM 1826 C TYR B 115 -8.372 0.774 -9.896 1.00 0.00 C ATOM 1827 O TYR B 115 -9.450 1.125 -10.383 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.797 -0.349 -11.528 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.132 0.816 -12.437 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.631 2.087 -12.178 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.924 0.641 -13.563 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -6.915 3.150 -13.011 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -8.210 1.700 -14.404 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.703 2.953 -14.122 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.983 4.014 -14.956 1.00 0.00 O ATOM 0 H TYR B 115 -8.940 -1.690 -11.528 1.00 0.00 H new ATOM 0 HA TYR B 115 -7.079 -0.845 -9.471 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.771 -0.229 -11.179 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.828 -1.265 -12.118 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.009 2.245 -11.310 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -8.323 -0.338 -13.786 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.521 4.131 -12.792 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.827 1.548 -15.277 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.550 3.709 -15.695 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.727 1.466 -8.978 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.205 2.746 -8.495 1.00 0.00 C ATOM 1847 C ASN B 116 -7.177 3.799 -8.826 1.00 0.00 C ATOM 1848 O ASN B 116 -5.976 3.595 -8.637 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.430 2.716 -6.977 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.293 1.558 -6.502 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -9.130 1.077 -5.381 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.211 1.102 -7.341 1.00 0.00 N ATOM 0 H ASN B 116 -6.856 1.157 -8.546 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.157 2.971 -8.975 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.463 2.663 -6.478 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.896 3.652 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.813 0.326 -7.066 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.316 1.527 -8.262 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.661 4.917 -9.330 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.816 6.043 -9.677 1.00 0.00 C ATOM 1861 C GLU B 117 -6.027 6.507 -8.461 1.00 0.00 C ATOM 1862 O GLU B 117 -4.904 6.987 -8.584 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.663 7.197 -10.226 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.668 7.763 -9.228 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.846 6.850 -8.970 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.813 6.885 -9.757 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -9.810 6.089 -7.983 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.653 5.071 -9.511 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.116 5.724 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -6.999 7.998 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.200 6.851 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.159 7.960 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -9.035 8.720 -9.598 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.618 6.334 -7.284 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.975 6.734 -6.046 1.00 0.00 C ATOM 1876 C ALA B 118 -4.793 5.828 -5.724 1.00 0.00 C ATOM 1877 O ALA B 118 -3.849 6.248 -5.069 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.977 6.738 -4.902 1.00 0.00 C ATOM 0 H ALA B 118 -7.542 5.919 -7.165 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.594 7.747 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.477 7.040 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.781 7.439 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.392 5.738 -4.778 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.844 4.588 -6.200 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.752 3.646 -5.985 1.00 0.00 C ATOM 1886 C ILE B 119 -2.628 3.920 -6.974 1.00 0.00 C ATOM 1887 O ILE B 119 -1.448 3.894 -6.616 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.217 2.180 -6.140 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.336 1.859 -5.142 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.042 1.229 -5.949 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.892 1.852 -3.697 1.00 0.00 C ATOM 0 H ILE B 119 -5.627 4.213 -6.735 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.398 3.785 -4.964 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.611 2.048 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.135 2.590 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.757 0.884 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.385 0.200 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.278 1.440 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.622 1.365 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.742 1.617 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.115 1.101 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.499 2.834 -3.432 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.005 4.189 -8.218 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.043 4.527 -9.257 1.00 0.00 C ATOM 1905 C GLU B 120 -1.266 5.783 -8.863 1.00 0.00 C ATOM 1906 O GLU B 120 -0.034 5.787 -8.871 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.766 4.733 -10.592 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.850 5.100 -11.750 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.818 4.032 -12.060 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -1.155 3.056 -12.761 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 0.348 4.183 -11.630 1.00 0.00 O ATOM 0 H GLU B 120 -3.975 4.179 -8.532 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.335 3.706 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.304 3.820 -10.845 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.512 5.519 -10.471 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.454 5.281 -12.639 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.338 6.034 -11.517 1.00 0.00 H new ATOM 1918 N GLU B 121 -1.990 6.835 -8.489 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.355 8.074 -8.060 1.00 0.00 C ATOM 1920 C GLU B 121 -0.574 7.852 -6.768 1.00 0.00 C ATOM 1921 O GLU B 121 0.497 8.428 -6.582 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.390 9.187 -7.861 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.202 9.506 -9.109 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.342 9.809 -10.319 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -1.662 10.857 -10.328 1.00 0.00 O ATOM 1926 OE2 GLU B 121 -2.356 9.010 -11.278 1.00 0.00 O1- ATOM 0 H GLU B 121 -3.010 6.853 -8.475 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.665 8.385 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.071 8.897 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -1.878 10.091 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -3.853 8.662 -9.336 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.847 10.361 -8.906 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.108 6.997 -5.893 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.451 6.662 -4.630 1.00 0.00 C ATOM 1935 C PHE B 122 0.962 6.173 -4.891 1.00 0.00 C ATOM 1936 O PHE B 122 1.924 6.682 -4.319 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.239 5.575 -3.891 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.682 5.203 -2.543 1.00 0.00 C ATOM 1939 CD1 PHE B 122 0.295 4.224 -2.427 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -1.138 5.826 -1.393 1.00 0.00 C ATOM 1941 CE1 PHE B 122 0.805 3.877 -1.193 1.00 0.00 C ATOM 1942 CE2 PHE B 122 -0.630 5.482 -0.154 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.342 4.507 -0.054 1.00 0.00 C ATOM 0 H PHE B 122 -1.999 6.522 -6.038 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.415 7.559 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.267 5.913 -3.764 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.272 4.682 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE B 122 0.661 3.728 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE B 122 -1.899 6.589 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE B 122 1.565 3.114 -1.117 1.00 0.00 H new ATOM 0 HE2 PHE B 122 -0.993 5.976 0.735 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.740 4.237 0.913 1.00 0.00 H new ATOM 1953 N CYS B 123 1.069 5.188 -5.773 1.00 0.00 N ATOM 1954 CA CYS B 123 2.349 4.598 -6.109 1.00 0.00 C ATOM 1955 C CYS B 123 3.317 5.659 -6.610 1.00 0.00 C ATOM 1956 O CYS B 123 4.459 5.724 -6.164 1.00 0.00 O ATOM 1957 CB CYS B 123 2.168 3.509 -7.168 1.00 0.00 C ATOM 1958 SG CYS B 123 1.035 2.188 -6.676 1.00 0.00 S ATOM 0 H CYS B 123 0.276 4.781 -6.269 1.00 0.00 H new ATOM 0 HA CYS B 123 2.766 4.149 -5.207 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.800 3.967 -8.086 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.141 3.073 -7.397 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.157 2.679 -6.506 1.00 0.00 H new ATOM 1964 N GLN B 124 2.834 6.519 -7.496 1.00 0.00 N ATOM 1965 CA GLN B 124 3.685 7.503 -8.154 1.00 0.00 C ATOM 1966 C GLN B 124 4.190 8.554 -7.172 1.00 0.00 C ATOM 1967 O GLN B 124 5.394 8.771 -7.060 1.00 0.00 O ATOM 1968 CB GLN B 124 2.938 8.175 -9.305 1.00 0.00 C ATOM 1969 CG GLN B 124 2.380 7.188 -10.319 1.00 0.00 C ATOM 1970 CD GLN B 124 3.412 6.181 -10.794 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.606 6.477 -10.884 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.961 4.974 -11.088 1.00 0.00 N ATOM 0 H GLN B 124 1.854 6.556 -7.777 1.00 0.00 H new ATOM 0 HA GLN B 124 4.550 6.973 -8.553 1.00 0.00 H new ATOM 0 HB2 GLN B 124 2.120 8.770 -8.899 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.612 8.865 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.538 6.656 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.993 7.737 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN B 124 1.966 4.766 -11.001 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.608 4.250 -11.401 1.00 0.00 H new ATOM 1981 N ILE B 125 3.266 9.185 -6.455 1.00 0.00 N ATOM 1982 CA ILE B 125 3.608 10.231 -5.492 1.00 0.00 C ATOM 1983 C ILE B 125 4.569 9.699 -4.430 1.00 0.00 C ATOM 1984 O ILE B 125 5.518 10.376 -4.028 1.00 0.00 O ATOM 1985 CB ILE B 125 2.334 10.773 -4.803 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.366 11.326 -5.850 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.682 11.847 -3.778 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.009 11.639 -5.304 1.00 0.00 C ATOM 0 H ILE B 125 2.267 8.990 -6.522 1.00 0.00 H new ATOM 0 HA ILE B 125 4.094 11.039 -6.038 1.00 0.00 H new ATOM 0 HB ILE B 125 1.852 9.950 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.791 12.233 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.269 10.603 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.768 12.211 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.338 11.425 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.189 12.674 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.639 12.027 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.455 10.731 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE B 125 0.074 12.386 -4.514 1.00 0.00 H new ATOM 2000 N LEU B 126 4.325 8.471 -4.008 1.00 0.00 N ATOM 2001 CA LEU B 126 5.090 7.853 -2.938 1.00 0.00 C ATOM 2002 C LEU B 126 6.473 7.407 -3.416 1.00 0.00 C ATOM 2003 O LEU B 126 7.494 7.867 -2.896 1.00 0.00 O ATOM 2004 CB LEU B 126 4.285 6.671 -2.386 1.00 0.00 C ATOM 2005 CG LEU B 126 4.866 5.932 -1.186 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.752 4.788 -1.629 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.622 6.886 -0.272 1.00 0.00 C ATOM 0 H LEU B 126 3.593 7.875 -4.396 1.00 0.00 H new ATOM 0 HA LEU B 126 5.259 8.584 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.295 7.035 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.147 5.950 -3.192 1.00 0.00 H new ATOM 0 HG LEU B 126 4.036 5.511 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.153 4.278 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.168 4.085 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.574 5.176 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.026 6.334 0.576 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.438 7.350 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.943 7.659 0.089 1.00 0.00 H new ATOM 2019 N LEU B 127 6.504 6.517 -4.403 1.00 0.00 N ATOM 2020 CA LEU B 127 7.765 5.941 -4.877 1.00 0.00 C ATOM 2021 C LEU B 127 8.704 7.032 -5.373 1.00 0.00 C ATOM 2022 O LEU B 127 9.924 6.900 -5.280 1.00 0.00 O ATOM 2023 CB LEU B 127 7.524 4.888 -5.979 1.00 0.00 C ATOM 2024 CG LEU B 127 7.281 5.410 -7.407 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.597 5.656 -8.134 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.425 4.429 -8.194 1.00 0.00 C ATOM 0 H LEU B 127 5.675 6.178 -4.891 1.00 0.00 H new ATOM 0 HA LEU B 127 8.236 5.438 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.386 4.222 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.664 4.285 -5.688 1.00 0.00 H new ATOM 0 HG LEU B 127 6.751 6.359 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.394 6.024 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU B 127 9.182 6.396 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU B 127 9.159 4.724 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.263 4.814 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.933 3.467 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.464 4.303 -7.695 1.00 0.00 H new ATOM 2038 N ASP B 128 8.121 8.105 -5.891 1.00 0.00 N ATOM 2039 CA ASP B 128 8.883 9.226 -6.419 1.00 0.00 C ATOM 2040 C ASP B 128 9.825 9.768 -5.362 1.00 0.00 C ATOM 2041 O ASP B 128 11.017 9.948 -5.603 1.00 0.00 O ATOM 2042 CB ASP B 128 7.931 10.332 -6.861 1.00 0.00 C ATOM 2043 CG ASP B 128 8.613 11.405 -7.691 1.00 0.00 C ATOM 2044 OD1 ASP B 128 9.141 12.374 -7.105 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 8.607 11.290 -8.937 1.00 0.00 O ATOM 0 H ASP B 128 7.110 8.222 -5.956 1.00 0.00 H new ATOM 0 HA ASP B 128 9.467 8.880 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP B 128 7.118 9.894 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.483 10.792 -5.980 1.00 0.00 H new ATOM 2050 N LYS B 129 9.286 9.985 -4.177 1.00 0.00 N ATOM 2051 CA LYS B 129 10.045 10.592 -3.101 1.00 0.00 C ATOM 2052 C LYS B 129 10.910 9.551 -2.396 1.00 0.00 C ATOM 2053 O LYS B 129 11.988 9.867 -1.897 1.00 0.00 O ATOM 2054 CB LYS B 129 9.097 11.278 -2.117 1.00 0.00 C ATOM 2055 CG LYS B 129 8.094 12.207 -2.786 1.00 0.00 C ATOM 2056 CD LYS B 129 8.765 13.119 -3.801 1.00 0.00 C ATOM 2057 CE LYS B 129 7.750 13.949 -4.570 1.00 0.00 C ATOM 2058 NZ LYS B 129 8.357 14.582 -5.771 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.323 9.749 -3.935 1.00 0.00 H new ATOM 0 HA LYS B 129 10.711 11.345 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.556 10.516 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.684 11.848 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.324 11.616 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.595 12.811 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.463 13.781 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.348 12.519 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.917 13.316 -4.874 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.342 14.721 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 7.604 14.908 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 8.938 15.394 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.954 13.888 -6.265 1.00 0.00 H new ATOM 2072 N LEU B 130 10.449 8.302 -2.383 1.00 0.00 N ATOM 2073 CA LEU B 130 11.226 7.217 -1.786 1.00 0.00 C ATOM 2074 C LEU B 130 12.443 6.874 -2.639 1.00 0.00 C ATOM 2075 O LEU B 130 13.420 6.323 -2.141 1.00 0.00 O ATOM 2076 CB LEU B 130 10.370 5.965 -1.572 1.00 0.00 C ATOM 2077 CG LEU B 130 9.404 6.028 -0.386 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.653 4.719 -0.243 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.150 6.341 0.902 1.00 0.00 C ATOM 0 H LEU B 130 9.551 8.018 -2.774 1.00 0.00 H new ATOM 0 HA LEU B 130 11.570 7.570 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.794 5.779 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.033 5.111 -1.435 1.00 0.00 H new ATOM 0 HG LEU B 130 8.688 6.827 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.971 4.782 0.605 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.085 4.524 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.363 3.908 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.444 6.381 1.731 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.889 5.563 1.092 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.652 7.304 0.807 1.00 0.00 H new ATOM 2091 N ASN B 131 12.382 7.184 -3.925 1.00 0.00 N ATOM 2092 CA ASN B 131 13.543 7.012 -4.788 1.00 0.00 C ATOM 2093 C ASN B 131 14.335 8.308 -4.888 1.00 0.00 C ATOM 2094 O ASN B 131 15.455 8.325 -5.397 1.00 0.00 O ATOM 2095 CB ASN B 131 13.134 6.529 -6.182 1.00 0.00 C ATOM 2096 CG ASN B 131 12.777 5.055 -6.204 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.645 4.197 -6.369 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.501 4.749 -6.043 1.00 0.00 N ATOM 0 H ASN B 131 11.552 7.552 -4.391 1.00 0.00 H new ATOM 0 HA ASN B 131 14.178 6.248 -4.340 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.281 7.112 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.950 6.712 -6.881 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.205 3.773 -6.053 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.812 5.489 -5.909 1.00 0.00 H new ATOM 2105 N ALA B 132 13.758 9.389 -4.379 1.00 0.00 N ATOM 2106 CA ALA B 132 14.419 10.688 -4.405 1.00 0.00 C ATOM 2107 C ALA B 132 15.320 10.866 -3.199 1.00 0.00 C ATOM 2108 O ALA B 132 16.172 11.755 -3.167 1.00 0.00 O ATOM 2109 CB ALA B 132 13.398 11.813 -4.479 1.00 0.00 C ATOM 0 H ALA B 132 12.835 9.393 -3.944 1.00 0.00 H new ATOM 0 HA ALA B 132 15.040 10.728 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.915 12.773 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.802 11.704 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.745 11.769 -3.608 1.00 0.00 H new ATOM 2115 N VAL B 133 15.149 9.998 -2.223 1.00 0.00 N ATOM 2116 CA VAL B 133 15.953 10.047 -1.017 1.00 0.00 C ATOM 2117 C VAL B 133 17.190 9.180 -1.199 1.00 0.00 C ATOM 2118 O VAL B 133 18.218 9.380 -0.554 1.00 0.00 O ATOM 2119 CB VAL B 133 15.151 9.589 0.224 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.579 8.196 0.020 1.00 0.00 C ATOM 2121 CG2 VAL B 133 16.016 9.633 1.474 1.00 0.00 C ATOM 0 H VAL B 133 14.458 9.248 -2.241 1.00 0.00 H new ATOM 0 HA VAL B 133 16.252 11.081 -0.846 1.00 0.00 H new ATOM 0 HB VAL B 133 14.320 10.281 0.358 1.00 0.00 H new ATOM 0 HG11 VAL B 133 14.020 7.899 0.907 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.914 8.199 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.392 7.490 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL B 133 15.430 9.307 2.333 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.873 8.972 1.347 1.00 0.00 H new ATOM 0 HG23 VAL B 133 16.365 10.652 1.639 1.00 0.00 H new ATOM 2131 N LYS B 134 17.079 8.239 -2.118 1.00 0.00 N ATOM 2132 CA LYS B 134 18.160 7.327 -2.432 1.00 0.00 C ATOM 2133 C LYS B 134 19.250 8.038 -3.220 1.00 0.00 C ATOM 2134 O LYS B 134 19.000 8.533 -4.319 1.00 0.00 O ATOM 2135 CB LYS B 134 17.624 6.156 -3.246 1.00 0.00 C ATOM 2136 CG LYS B 134 16.517 5.398 -2.540 1.00 0.00 C ATOM 2137 CD LYS B 134 15.953 4.297 -3.418 1.00 0.00 C ATOM 2138 CE LYS B 134 17.000 3.249 -3.780 1.00 0.00 C ATOM 2139 NZ LYS B 134 17.494 2.508 -2.589 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.234 8.086 -2.668 1.00 0.00 H new ATOM 0 HA LYS B 134 18.586 6.960 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS B 134 17.251 6.526 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS B 134 18.442 5.470 -3.467 1.00 0.00 H new ATOM 0 HG2 LYS B 134 16.901 4.967 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS B 134 15.720 6.089 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS B 134 15.123 3.814 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS B 134 15.550 4.735 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS B 134 16.573 2.543 -4.492 1.00 0.00 H new ATOM 0 HE3 LYS B 134 17.840 3.735 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 18.126 1.741 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 18.015 3.158 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 16.687 2.106 -2.071 1.00 0.00 H new ATOM 2153 N LYS B 135 20.441 8.121 -2.654 1.00 0.00 N ATOM 2154 CA LYS B 135 21.583 8.646 -3.386 1.00 0.00 C ATOM 2155 C LYS B 135 22.728 7.639 -3.352 1.00 0.00 C ATOM 2156 O LYS B 135 23.408 7.519 -2.311 1.00 0.00 O ATOM 2157 CB LYS B 135 22.033 10.032 -2.870 1.00 0.00 C ATOM 2158 CG LYS B 135 22.443 10.085 -1.405 1.00 0.00 C ATOM 2159 CD LYS B 135 21.248 10.192 -0.476 1.00 0.00 C ATOM 2160 CE LYS B 135 20.604 11.567 -0.538 1.00 0.00 C ATOM 2161 NZ LYS B 135 19.466 11.680 0.406 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 22.925 6.943 -4.368 1.00 0.00 O ATOM 0 H LYS B 135 20.643 7.834 -1.696 1.00 0.00 H new ATOM 0 HA LYS B 135 21.274 8.796 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS B 135 22.873 10.371 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS B 135 21.220 10.740 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS B 135 23.014 9.190 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS B 135 23.102 10.938 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS B 135 20.512 9.434 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS B 135 21.563 9.984 0.547 1.00 0.00 H new ATOM 0 HE2 LYS B 135 21.348 12.329 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS B 135 20.256 11.761 -1.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 18.977 12.585 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 18.802 10.896 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 19.820 11.638 1.383 1.00 0.00 H new TER 2176 LYS B 135