USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 855 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -0.456 F(o=-2.4!,f=-0.46) USER MOD Set 2.1: A 27 TYR OH : rot 165:sc= -0.674 USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.843 F(o=-2.2,f=-1.5) USER MOD Set 2.3: A 32 MET CE :methyl 166:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -55:sc= 0.468 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 5 LYS NZ :NH3+ -131:sc= 0.193 (180deg=-0.0781) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0.0444 (180deg=-0.0487) USER MOD Single : A 8 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0793) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= -0.172 (180deg=-0.337) USER MOD Single : A 26 MET CE :methyl -175:sc= -0.455 (180deg=-0.511) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -120:sc= -0.146 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0829 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=-0.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0.173 (180deg=0.157) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -144:sc= -7.28! (180deg=-13!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0.0159 (180deg=0.0157) USER MOD Single : A 80 GLN :FLIP amide:sc= -2.06 F(o=-3.3!,f=-2.1) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -118:sc= -2.61! USER MOD Single : A 93 TYR OH : rot 35:sc= -0.865! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -123:sc= -0.913 (180deg=-4.51!) USER MOD Single : A 100 ASN : amide:sc= -0.516 K(o=-0.52,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.882 20.643 -18.243 1.00 0.00 N ATOM 2 CA ALA A 1 7.138 19.838 -18.217 1.00 0.00 C ATOM 3 C ALA A 1 6.952 18.619 -17.306 1.00 0.00 C ATOM 4 O ALA A 1 6.647 18.751 -16.132 1.00 0.00 O ATOM 5 CB ALA A 1 8.290 20.702 -17.690 1.00 0.00 C ATOM 0 H1 ALA A 1 6.012 21.469 -18.862 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.102 20.058 -18.605 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.655 20.964 -17.280 1.00 0.00 H new ATOM 0 HA ALA A 1 7.370 19.500 -19.227 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.207 20.113 -17.671 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.426 21.565 -18.342 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.057 21.043 -16.681 1.00 0.00 H new ATOM 13 N THR A 2 7.130 17.433 -17.840 1.00 0.00 N ATOM 14 CA THR A 2 6.966 16.194 -17.018 1.00 0.00 C ATOM 15 C THR A 2 7.907 15.092 -17.546 1.00 0.00 C ATOM 16 O THR A 2 7.537 13.934 -17.644 1.00 0.00 O ATOM 17 CB THR A 2 5.497 15.736 -17.085 1.00 0.00 C ATOM 18 OG1 THR A 2 5.302 14.627 -16.216 1.00 0.00 O ATOM 19 CG2 THR A 2 5.132 15.335 -18.519 1.00 0.00 C ATOM 0 H THR A 2 7.383 17.271 -18.815 1.00 0.00 H new ATOM 0 HA THR A 2 7.226 16.398 -15.979 1.00 0.00 H new ATOM 0 HB THR A 2 4.856 16.561 -16.774 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.941 13.919 -16.441 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.091 15.013 -18.553 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.270 16.189 -19.182 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.775 14.517 -18.843 1.00 0.00 H new ATOM 27 N SER A 3 9.128 15.450 -17.878 1.00 0.00 N ATOM 28 CA SER A 3 10.103 14.443 -18.394 1.00 0.00 C ATOM 29 C SER A 3 11.043 14.004 -17.257 1.00 0.00 C ATOM 30 O SER A 3 12.241 13.866 -17.443 1.00 0.00 O ATOM 31 CB SER A 3 10.914 15.064 -19.538 1.00 0.00 C ATOM 32 OG SER A 3 10.081 15.210 -20.681 1.00 0.00 O ATOM 0 H SER A 3 9.489 16.402 -17.812 1.00 0.00 H new ATOM 0 HA SER A 3 9.567 13.570 -18.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.308 16.034 -19.235 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.770 14.433 -19.776 1.00 0.00 H new ATOM 0 HG SER A 3 10.597 15.608 -21.413 1.00 0.00 H new ATOM 38 N THR A 4 10.503 13.781 -16.080 1.00 0.00 N ATOM 39 CA THR A 4 11.345 13.350 -14.918 1.00 0.00 C ATOM 40 C THR A 4 10.590 12.297 -14.095 1.00 0.00 C ATOM 41 O THR A 4 11.134 11.261 -13.758 1.00 0.00 O ATOM 42 CB THR A 4 11.669 14.563 -14.029 1.00 0.00 C ATOM 43 OG1 THR A 4 10.468 15.250 -13.686 1.00 0.00 O ATOM 44 CG2 THR A 4 12.611 15.513 -14.773 1.00 0.00 C ATOM 0 H THR A 4 9.509 13.880 -15.875 1.00 0.00 H new ATOM 0 HA THR A 4 12.274 12.920 -15.291 1.00 0.00 H new ATOM 0 HB THR A 4 12.154 14.215 -13.117 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.682 16.020 -13.119 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.838 16.371 -14.140 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.535 14.990 -15.020 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.132 15.856 -15.690 1.00 0.00 H new ATOM 52 N LYS A 5 9.344 12.559 -13.771 1.00 0.00 N ATOM 53 CA LYS A 5 8.540 11.585 -12.970 1.00 0.00 C ATOM 54 C LYS A 5 7.649 10.769 -13.913 1.00 0.00 C ATOM 55 O LYS A 5 6.773 11.311 -14.567 1.00 0.00 O ATOM 56 CB LYS A 5 7.653 12.342 -11.967 1.00 0.00 C ATOM 57 CG LYS A 5 8.434 13.496 -11.325 1.00 0.00 C ATOM 58 CD LYS A 5 9.532 12.940 -10.416 1.00 0.00 C ATOM 59 CE LYS A 5 10.271 14.098 -9.740 1.00 0.00 C ATOM 60 NZ LYS A 5 9.724 14.307 -8.368 1.00 0.00 N ATOM 0 H LYS A 5 8.849 13.412 -14.030 1.00 0.00 H new ATOM 0 HA LYS A 5 9.214 10.921 -12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.770 12.730 -12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.302 11.658 -11.194 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.874 14.124 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.758 14.128 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.097 12.283 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.231 12.339 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.338 13.881 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.159 15.008 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.512 15.316 -8.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.852 13.751 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.425 14.000 -7.664 1.00 0.00 H new ATOM 74 N LYS A 6 7.857 9.472 -13.992 1.00 0.00 N ATOM 75 CA LYS A 6 7.007 8.637 -14.896 1.00 0.00 C ATOM 76 C LYS A 6 6.749 7.244 -14.288 1.00 0.00 C ATOM 77 O LYS A 6 5.606 6.858 -14.130 1.00 0.00 O ATOM 78 CB LYS A 6 7.643 8.527 -16.303 1.00 0.00 C ATOM 79 CG LYS A 6 9.062 7.933 -16.258 1.00 0.00 C ATOM 80 CD LYS A 6 10.043 8.939 -15.643 1.00 0.00 C ATOM 81 CE LYS A 6 11.319 8.995 -16.490 1.00 0.00 C ATOM 82 NZ LYS A 6 11.711 10.416 -16.712 1.00 0.00 N ATOM 0 H LYS A 6 8.573 8.963 -13.473 1.00 0.00 H new ATOM 0 HA LYS A 6 6.042 9.132 -15.003 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.011 7.905 -16.937 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.680 9.515 -16.761 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.060 7.013 -15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.385 7.669 -17.265 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.584 9.926 -15.593 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.285 8.648 -14.621 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.125 8.459 -15.988 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.154 8.499 -17.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.494 10.457 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.898 10.946 -17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.015 10.837 -15.811 1.00 0.00 H new ATOM 96 N LEU A 7 7.783 6.499 -13.936 1.00 0.00 N ATOM 97 CA LEU A 7 7.589 5.135 -13.333 1.00 0.00 C ATOM 98 C LEU A 7 8.941 4.392 -13.267 1.00 0.00 C ATOM 99 O LEU A 7 9.127 3.356 -13.884 1.00 0.00 O ATOM 100 CB LEU A 7 6.587 4.315 -14.172 1.00 0.00 C ATOM 101 CG LEU A 7 5.614 3.586 -13.238 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.524 4.549 -12.757 1.00 0.00 C ATOM 103 CD2 LEU A 7 4.963 2.416 -13.983 1.00 0.00 C ATOM 0 H LEU A 7 8.757 6.782 -14.043 1.00 0.00 H new ATOM 0 HA LEU A 7 7.192 5.253 -12.325 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.037 4.972 -14.846 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.120 3.595 -14.793 1.00 0.00 H new ATOM 0 HG LEU A 7 6.167 3.211 -12.377 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.838 4.021 -12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.983 5.378 -12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.974 4.934 -13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.272 1.900 -13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.419 2.794 -14.849 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.735 1.721 -14.314 1.00 0.00 H new ATOM 115 N HIS A 8 9.882 4.910 -12.510 1.00 0.00 N ATOM 116 CA HIS A 8 11.214 4.241 -12.377 1.00 0.00 C ATOM 117 C HIS A 8 11.131 3.191 -11.260 1.00 0.00 C ATOM 118 O HIS A 8 10.472 3.391 -10.256 1.00 0.00 O ATOM 119 CB HIS A 8 12.289 5.278 -12.035 1.00 0.00 C ATOM 120 CG HIS A 8 13.120 5.561 -13.257 1.00 0.00 C ATOM 121 ND1 HIS A 8 14.434 5.136 -13.374 1.00 0.00 N ATOM 122 CD2 HIS A 8 12.837 6.227 -14.424 1.00 0.00 C ATOM 123 CE1 HIS A 8 14.888 5.545 -14.572 1.00 0.00 C ATOM 124 NE2 HIS A 8 13.954 6.216 -15.253 1.00 0.00 N ATOM 0 H HIS A 8 9.781 5.773 -11.976 1.00 0.00 H new ATOM 0 HA HIS A 8 11.479 3.760 -13.319 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.823 6.197 -11.678 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.923 4.908 -11.229 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.890 6.689 -14.662 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.886 5.354 -14.939 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.041 6.631 -16.181 1.00 0.00 H new ATOM 132 N LYS A 9 11.784 2.071 -11.445 1.00 0.00 N ATOM 133 CA LYS A 9 11.740 0.971 -10.420 1.00 0.00 C ATOM 134 C LYS A 9 12.915 1.083 -9.434 1.00 0.00 C ATOM 135 O LYS A 9 13.976 1.582 -9.769 1.00 0.00 O ATOM 136 CB LYS A 9 11.779 -0.406 -11.109 1.00 0.00 C ATOM 137 CG LYS A 9 12.250 -0.284 -12.565 1.00 0.00 C ATOM 138 CD LYS A 9 12.655 -1.664 -13.097 1.00 0.00 C ATOM 139 CE LYS A 9 11.406 -2.523 -13.325 1.00 0.00 C ATOM 140 NZ LYS A 9 10.725 -2.099 -14.583 1.00 0.00 N ATOM 0 H LYS A 9 12.351 1.866 -12.267 1.00 0.00 H new ATOM 0 HA LYS A 9 10.808 1.073 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.448 -1.071 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.787 -0.858 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.454 0.134 -13.181 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.095 0.402 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.208 -1.556 -14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.321 -2.156 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.683 -3.575 -13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.725 -2.422 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.698 -2.061 -14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.068 -1.158 -14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.934 -2.783 -15.338 1.00 0.00 H new ATOM 154 N GLU A 10 12.727 0.607 -8.216 1.00 0.00 N ATOM 155 CA GLU A 10 13.804 0.659 -7.185 1.00 0.00 C ATOM 156 C GLU A 10 13.420 -0.320 -6.074 1.00 0.00 C ATOM 157 O GLU A 10 12.370 -0.169 -5.487 1.00 0.00 O ATOM 158 CB GLU A 10 13.908 2.080 -6.614 1.00 0.00 C ATOM 159 CG GLU A 10 15.297 2.296 -6.000 1.00 0.00 C ATOM 160 CD GLU A 10 15.338 1.720 -4.577 1.00 0.00 C ATOM 161 OE1 GLU A 10 14.613 2.220 -3.730 1.00 0.00 O ATOM 162 OE2 GLU A 10 16.100 0.792 -4.357 1.00 0.00 O ATOM 0 H GLU A 10 11.857 0.180 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 10 14.768 0.392 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.732 2.812 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.139 2.235 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.055 1.815 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.532 3.360 -5.977 1.00 0.00 H new ATOM 169 N PRO A 11 14.256 -1.303 -5.826 1.00 0.00 N ATOM 170 CA PRO A 11 13.981 -2.328 -4.800 1.00 0.00 C ATOM 171 C PRO A 11 13.483 -1.706 -3.488 1.00 0.00 C ATOM 172 O PRO A 11 13.969 -0.686 -3.034 1.00 0.00 O ATOM 173 CB PRO A 11 15.309 -3.058 -4.613 1.00 0.00 C ATOM 174 CG PRO A 11 16.235 -2.624 -5.773 1.00 0.00 C ATOM 175 CD PRO A 11 15.542 -1.472 -6.523 1.00 0.00 C ATOM 0 HA PRO A 11 13.184 -3.005 -5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.754 -2.807 -3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.160 -4.138 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.203 -2.302 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.421 -3.461 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.137 -0.559 -6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.395 -1.715 -7.575 1.00 0.00 H new ATOM 183 N ALA A 12 12.498 -2.332 -2.898 1.00 0.00 N ATOM 184 CA ALA A 12 11.902 -1.831 -1.620 1.00 0.00 C ATOM 185 C ALA A 12 11.917 -2.959 -0.571 1.00 0.00 C ATOM 186 O ALA A 12 12.706 -3.884 -0.657 1.00 0.00 O ATOM 187 CB ALA A 12 10.458 -1.395 -1.887 1.00 0.00 C ATOM 0 H ALA A 12 12.072 -3.187 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 12 12.479 -0.986 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.012 -1.028 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.450 -0.602 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.883 -2.245 -2.254 1.00 0.00 H new ATOM 193 N THR A 13 11.038 -2.899 0.407 1.00 0.00 N ATOM 194 CA THR A 13 10.977 -3.969 1.449 1.00 0.00 C ATOM 195 C THR A 13 9.503 -4.201 1.788 1.00 0.00 C ATOM 196 O THR A 13 8.825 -3.317 2.283 1.00 0.00 O ATOM 197 CB THR A 13 11.772 -3.544 2.699 1.00 0.00 C ATOM 198 OG1 THR A 13 11.483 -4.427 3.780 1.00 0.00 O ATOM 199 CG2 THR A 13 11.412 -2.110 3.094 1.00 0.00 C ATOM 0 H THR A 13 10.358 -2.148 0.525 1.00 0.00 H new ATOM 0 HA THR A 13 11.424 -4.892 1.080 1.00 0.00 H new ATOM 0 HB THR A 13 12.837 -3.591 2.470 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.992 -4.153 4.571 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.981 -1.823 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.653 -1.435 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.346 -2.050 3.313 1.00 0.00 H new ATOM 207 N LEU A 14 8.993 -5.370 1.486 1.00 0.00 N ATOM 208 CA LEU A 14 7.550 -5.657 1.745 1.00 0.00 C ATOM 209 C LEU A 14 7.212 -5.477 3.228 1.00 0.00 C ATOM 210 O LEU A 14 7.720 -6.175 4.089 1.00 0.00 O ATOM 211 CB LEU A 14 7.207 -7.090 1.305 1.00 0.00 C ATOM 212 CG LEU A 14 7.871 -8.114 2.236 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.832 -8.664 3.219 1.00 0.00 C ATOM 214 CD2 LEU A 14 8.442 -9.264 1.406 1.00 0.00 C ATOM 0 H LEU A 14 9.517 -6.140 1.070 1.00 0.00 H new ATOM 0 HA LEU A 14 6.956 -4.949 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.126 -7.230 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.541 -7.252 0.280 1.00 0.00 H new ATOM 0 HG LEU A 14 8.675 -7.630 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.305 -9.391 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.424 -7.846 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.027 -9.147 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.913 -9.991 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.638 -9.747 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.183 -8.875 0.707 1.00 0.00 H new ATOM 226 N ILE A 15 6.339 -4.551 3.528 1.00 0.00 N ATOM 227 CA ILE A 15 5.937 -4.345 4.951 1.00 0.00 C ATOM 228 C ILE A 15 4.472 -4.791 5.126 1.00 0.00 C ATOM 229 O ILE A 15 3.725 -4.209 5.895 1.00 0.00 O ATOM 230 CB ILE A 15 6.082 -2.869 5.365 1.00 0.00 C ATOM 231 CG1 ILE A 15 7.224 -2.197 4.596 1.00 0.00 C ATOM 232 CG2 ILE A 15 6.376 -2.791 6.864 1.00 0.00 C ATOM 233 CD1 ILE A 15 7.105 -0.679 4.746 1.00 0.00 C ATOM 0 H ILE A 15 5.889 -3.932 2.854 1.00 0.00 H new ATOM 0 HA ILE A 15 6.593 -4.938 5.588 1.00 0.00 H new ATOM 0 HB ILE A 15 5.151 -2.351 5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.186 -2.538 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.183 -2.475 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.479 -1.747 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.557 -3.247 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.302 -3.323 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.915 -0.195 4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.148 -0.348 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.167 -0.412 5.801 1.00 0.00 H new ATOM 245 N LYS A 16 4.068 -5.827 4.414 1.00 0.00 N ATOM 246 CA LYS A 16 2.664 -6.354 4.507 1.00 0.00 C ATOM 247 C LYS A 16 1.701 -5.458 3.716 1.00 0.00 C ATOM 248 O LYS A 16 1.721 -4.244 3.835 1.00 0.00 O ATOM 249 CB LYS A 16 2.212 -6.422 5.972 1.00 0.00 C ATOM 250 CG LYS A 16 1.577 -7.787 6.253 1.00 0.00 C ATOM 251 CD LYS A 16 0.074 -7.729 5.958 1.00 0.00 C ATOM 252 CE LYS A 16 -0.268 -8.699 4.822 1.00 0.00 C ATOM 253 NZ LYS A 16 -0.364 -10.087 5.357 1.00 0.00 N ATOM 0 H LYS A 16 4.665 -6.336 3.762 1.00 0.00 H new ATOM 0 HA LYS A 16 2.650 -7.357 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.064 -6.263 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.495 -5.627 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.049 -8.552 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.743 -8.069 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.492 -7.988 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.213 -6.714 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.212 -8.412 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.497 -8.650 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.596 -10.742 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.546 -10.360 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.109 -10.129 6.081 1.00 0.00 H new ATOM 267 N ALA A 17 0.852 -6.060 2.917 1.00 0.00 N ATOM 268 CA ALA A 17 -0.135 -5.276 2.114 1.00 0.00 C ATOM 269 C ALA A 17 -1.445 -5.162 2.891 1.00 0.00 C ATOM 270 O ALA A 17 -2.034 -6.149 3.297 1.00 0.00 O ATOM 271 CB ALA A 17 -0.386 -5.979 0.777 1.00 0.00 C ATOM 0 H ALA A 17 0.802 -7.070 2.787 1.00 0.00 H new ATOM 0 HA ALA A 17 0.261 -4.278 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.106 -5.405 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.550 -6.055 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.781 -6.978 0.960 1.00 0.00 H new ATOM 277 N ILE A 18 -1.893 -3.952 3.096 1.00 0.00 N ATOM 278 CA ILE A 18 -3.161 -3.713 3.843 1.00 0.00 C ATOM 279 C ILE A 18 -4.347 -4.212 3.005 1.00 0.00 C ATOM 280 O ILE A 18 -5.089 -5.082 3.425 1.00 0.00 O ATOM 281 CB ILE A 18 -3.279 -2.207 4.098 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.320 -1.802 5.224 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.713 -1.842 4.497 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.139 -1.022 4.639 1.00 0.00 C ATOM 0 H ILE A 18 -1.425 -3.106 2.772 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.162 -4.250 4.792 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.021 -1.675 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.844 -1.191 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.960 -2.689 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.779 -0.769 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.396 -2.120 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.985 -2.378 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.459 -0.735 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.609 -1.648 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.507 -0.127 4.138 1.00 0.00 H new ATOM 296 N ASP A 19 -4.520 -3.671 1.821 1.00 0.00 N ATOM 297 CA ASP A 19 -5.643 -4.105 0.935 1.00 0.00 C ATOM 298 C ASP A 19 -5.079 -4.430 -0.458 1.00 0.00 C ATOM 299 O ASP A 19 -3.913 -4.761 -0.594 1.00 0.00 O ATOM 300 CB ASP A 19 -6.683 -2.976 0.842 1.00 0.00 C ATOM 301 CG ASP A 19 -7.398 -2.809 2.188 1.00 0.00 C ATOM 302 OD1 ASP A 19 -8.062 -3.743 2.610 1.00 0.00 O ATOM 303 OD2 ASP A 19 -7.276 -1.744 2.772 1.00 0.00 O ATOM 0 H ASP A 19 -3.925 -2.941 1.430 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.126 -4.993 1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.194 -2.043 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.409 -3.203 0.061 1.00 0.00 H new ATOM 308 N GLY A 20 -5.891 -4.344 -1.490 1.00 0.00 N ATOM 309 CA GLY A 20 -5.403 -4.648 -2.871 1.00 0.00 C ATOM 310 C GLY A 20 -4.242 -3.714 -3.234 1.00 0.00 C ATOM 311 O GLY A 20 -3.086 -4.076 -3.104 1.00 0.00 O ATOM 0 H GLY A 20 -6.873 -4.075 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.077 -5.687 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.215 -4.527 -3.588 1.00 0.00 H new ATOM 315 N ASP A 21 -4.541 -2.519 -3.689 1.00 0.00 N ATOM 316 CA ASP A 21 -3.454 -1.559 -4.065 1.00 0.00 C ATOM 317 C ASP A 21 -2.839 -0.924 -2.815 1.00 0.00 C ATOM 318 O ASP A 21 -1.746 -0.397 -2.873 1.00 0.00 O ATOM 319 CB ASP A 21 -4.020 -0.442 -4.944 1.00 0.00 C ATOM 320 CG ASP A 21 -4.307 -0.983 -6.350 1.00 0.00 C ATOM 321 OD1 ASP A 21 -5.360 -1.571 -6.536 1.00 0.00 O ATOM 322 OD2 ASP A 21 -3.468 -0.797 -7.218 1.00 0.00 O ATOM 0 H ASP A 21 -5.490 -2.168 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.689 -2.114 -4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.935 -0.047 -4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.311 0.384 -5.000 1.00 0.00 H new ATOM 327 N THR A 22 -3.521 -0.960 -1.689 1.00 0.00 N ATOM 328 CA THR A 22 -2.951 -0.333 -0.460 1.00 0.00 C ATOM 329 C THR A 22 -1.855 -1.265 0.077 1.00 0.00 C ATOM 330 O THR A 22 -2.140 -2.346 0.563 1.00 0.00 O ATOM 331 CB THR A 22 -4.047 -0.184 0.600 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.072 0.671 0.115 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.448 0.401 1.880 1.00 0.00 C ATOM 0 H THR A 22 -4.437 -1.393 -1.574 1.00 0.00 H new ATOM 0 HA THR A 22 -2.545 0.652 -0.691 1.00 0.00 H new ATOM 0 HB THR A 22 -4.472 -1.164 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.771 0.762 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.230 0.506 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.670 -0.264 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.017 1.379 1.666 1.00 0.00 H new ATOM 341 N VAL A 23 -0.605 -0.874 -0.035 1.00 0.00 N ATOM 342 CA VAL A 23 0.501 -1.767 0.440 1.00 0.00 C ATOM 343 C VAL A 23 1.576 -0.976 1.189 1.00 0.00 C ATOM 344 O VAL A 23 1.984 0.090 0.769 1.00 0.00 O ATOM 345 CB VAL A 23 1.133 -2.482 -0.763 1.00 0.00 C ATOM 346 CG1 VAL A 23 0.129 -3.477 -1.354 1.00 0.00 C ATOM 347 CG2 VAL A 23 1.523 -1.455 -1.834 1.00 0.00 C ATOM 0 H VAL A 23 -0.306 0.017 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 23 0.077 -2.497 1.129 1.00 0.00 H new ATOM 0 HB VAL A 23 2.025 -3.015 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.579 -3.984 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.143 -4.213 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.764 -2.943 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.971 -1.969 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.634 -0.916 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.242 -0.749 -1.417 1.00 0.00 H new ATOM 357 N LYS A 24 2.048 -1.516 2.291 1.00 0.00 N ATOM 358 CA LYS A 24 3.114 -0.832 3.082 1.00 0.00 C ATOM 359 C LYS A 24 4.481 -1.226 2.511 1.00 0.00 C ATOM 360 O LYS A 24 4.822 -2.394 2.454 1.00 0.00 O ATOM 361 CB LYS A 24 3.011 -1.261 4.550 1.00 0.00 C ATOM 362 CG LYS A 24 3.634 -0.188 5.446 1.00 0.00 C ATOM 363 CD LYS A 24 2.583 0.328 6.432 1.00 0.00 C ATOM 364 CE LYS A 24 3.209 1.384 7.349 1.00 0.00 C ATOM 365 NZ LYS A 24 3.467 2.633 6.573 1.00 0.00 N ATOM 0 H LYS A 24 1.735 -2.408 2.675 1.00 0.00 H new ATOM 0 HA LYS A 24 2.994 0.250 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.967 -1.414 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.521 -2.213 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.485 -0.601 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.012 0.634 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.741 0.757 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.192 -0.498 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.543 1.595 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.141 1.007 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.488 2.833 6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.131 2.511 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.962 3.427 7.016 1.00 0.00 H new ATOM 379 N LEU A 25 5.254 -0.261 2.070 1.00 0.00 N ATOM 380 CA LEU A 25 6.594 -0.572 1.479 1.00 0.00 C ATOM 381 C LEU A 25 7.565 0.594 1.701 1.00 0.00 C ATOM 382 O LEU A 25 7.176 1.746 1.743 1.00 0.00 O ATOM 383 CB LEU A 25 6.430 -0.797 -0.027 1.00 0.00 C ATOM 384 CG LEU A 25 6.415 -2.292 -0.335 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.651 -2.530 -1.635 1.00 0.00 C ATOM 386 CD2 LEU A 25 7.849 -2.792 -0.495 1.00 0.00 C ATOM 0 H LEU A 25 5.013 0.730 2.094 1.00 0.00 H new ATOM 0 HA LEU A 25 6.995 -1.464 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.504 -0.337 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.246 -0.315 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 25 5.930 -2.828 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.638 -3.597 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.628 -2.169 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.141 -1.995 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.840 -3.860 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.332 -2.257 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.401 -2.617 0.429 1.00 0.00 H new ATOM 398 N MET A 26 8.837 0.294 1.813 1.00 0.00 N ATOM 399 CA MET A 26 9.858 1.370 1.999 1.00 0.00 C ATOM 400 C MET A 26 10.720 1.428 0.737 1.00 0.00 C ATOM 401 O MET A 26 11.424 0.483 0.424 1.00 0.00 O ATOM 402 CB MET A 26 10.759 1.067 3.209 1.00 0.00 C ATOM 403 CG MET A 26 9.962 0.378 4.320 1.00 0.00 C ATOM 404 SD MET A 26 11.064 0.010 5.709 1.00 0.00 S ATOM 405 CE MET A 26 9.805 -0.629 6.841 1.00 0.00 C ATOM 0 H MET A 26 9.212 -0.654 1.783 1.00 0.00 H new ATOM 0 HA MET A 26 9.354 2.320 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.588 0.430 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.192 1.993 3.587 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.145 1.021 4.649 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.513 -0.541 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.259 -0.838 7.810 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.015 0.112 6.963 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.381 -1.547 6.433 1.00 0.00 H new ATOM 415 N TYR A 27 10.678 2.520 0.008 1.00 0.00 N ATOM 416 CA TYR A 27 11.508 2.613 -1.239 1.00 0.00 C ATOM 417 C TYR A 27 12.908 3.152 -0.902 1.00 0.00 C ATOM 418 O TYR A 27 13.494 3.914 -1.650 1.00 0.00 O ATOM 419 CB TYR A 27 10.811 3.502 -2.289 1.00 0.00 C ATOM 420 CG TYR A 27 10.545 4.893 -1.748 1.00 0.00 C ATOM 421 CD1 TYR A 27 11.513 5.899 -1.884 1.00 0.00 C ATOM 422 CD2 TYR A 27 9.320 5.183 -1.133 1.00 0.00 C ATOM 423 CE1 TYR A 27 11.259 7.187 -1.402 1.00 0.00 C ATOM 424 CE2 TYR A 27 9.065 6.474 -0.655 1.00 0.00 C ATOM 425 CZ TYR A 27 10.035 7.475 -0.790 1.00 0.00 C ATOM 426 OH TYR A 27 9.782 8.749 -0.322 1.00 0.00 O ATOM 0 H TYR A 27 10.112 3.342 0.219 1.00 0.00 H new ATOM 0 HA TYR A 27 11.617 1.616 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.434 3.570 -3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.870 3.041 -2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.456 5.679 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.572 4.411 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.008 7.959 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.120 6.698 -0.182 1.00 0.00 H new ATOM 0 HH TYR A 27 8.823 8.849 -0.148 1.00 0.00 H new ATOM 436 N LYS A 28 13.448 2.740 0.224 1.00 0.00 N ATOM 437 CA LYS A 28 14.809 3.194 0.646 1.00 0.00 C ATOM 438 C LYS A 28 14.842 4.723 0.699 1.00 0.00 C ATOM 439 O LYS A 28 15.626 5.376 0.031 1.00 0.00 O ATOM 440 CB LYS A 28 15.869 2.665 -0.333 1.00 0.00 C ATOM 441 CG LYS A 28 16.346 1.282 0.120 1.00 0.00 C ATOM 442 CD LYS A 28 15.481 0.201 -0.532 1.00 0.00 C ATOM 443 CE LYS A 28 14.612 -0.477 0.532 1.00 0.00 C ATOM 444 NZ LYS A 28 14.837 -1.951 0.497 1.00 0.00 N ATOM 0 H LYS A 28 12.994 2.099 0.875 1.00 0.00 H new ATOM 0 HA LYS A 28 15.032 2.800 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.452 2.605 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.712 3.354 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.391 1.139 -0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.287 1.203 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.850 0.643 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.114 -0.538 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.856 -0.085 1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.560 -0.255 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.246 -2.410 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.583 -2.319 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.839 -2.154 0.689 1.00 0.00 H new ATOM 458 N GLY A 29 13.980 5.287 1.499 1.00 0.00 N ATOM 459 CA GLY A 29 13.920 6.772 1.631 1.00 0.00 C ATOM 460 C GLY A 29 12.687 7.175 2.445 1.00 0.00 C ATOM 461 O GLY A 29 12.690 8.190 3.117 1.00 0.00 O ATOM 0 H GLY A 29 13.308 4.778 2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.824 7.139 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.881 7.232 0.644 1.00 0.00 H new ATOM 465 N GLN A 30 11.630 6.392 2.387 1.00 0.00 N ATOM 466 CA GLN A 30 10.398 6.739 3.156 1.00 0.00 C ATOM 467 C GLN A 30 9.507 5.495 3.327 1.00 0.00 C ATOM 468 O GLN A 30 8.709 5.182 2.460 1.00 0.00 O ATOM 469 CB GLN A 30 9.630 7.830 2.402 1.00 0.00 C ATOM 470 CG GLN A 30 8.631 8.511 3.340 1.00 0.00 C ATOM 471 CD GLN A 30 7.666 9.376 2.522 1.00 0.00 C ATOM 472 OE1 GLN A 30 7.009 8.847 1.521 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 7.506 10.550 2.796 1.00 0.00 N flip ATOM 0 H GLN A 30 11.573 5.532 1.841 1.00 0.00 H new ATOM 0 HA GLN A 30 10.679 7.101 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.327 8.567 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.105 7.395 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.075 7.761 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.161 9.127 4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.016 10.966 3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.862 11.119 2.247 1.00 0.00 H new ATOM 482 N PRO A 31 9.662 4.829 4.455 1.00 0.00 N ATOM 483 CA PRO A 31 8.868 3.625 4.783 1.00 0.00 C ATOM 484 C PRO A 31 7.392 4.019 4.948 1.00 0.00 C ATOM 485 O PRO A 31 6.988 4.512 5.988 1.00 0.00 O ATOM 486 CB PRO A 31 9.451 3.123 6.114 1.00 0.00 C ATOM 487 CG PRO A 31 10.540 4.130 6.562 1.00 0.00 C ATOM 488 CD PRO A 31 10.645 5.219 5.484 1.00 0.00 C ATOM 0 HA PRO A 31 8.914 2.859 4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.669 3.045 6.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.878 2.127 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.281 4.570 7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.498 3.625 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.419 6.204 5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.652 5.269 5.070 1.00 0.00 H new ATOM 496 N MET A 32 6.591 3.831 3.922 1.00 0.00 N ATOM 497 CA MET A 32 5.144 4.226 4.015 1.00 0.00 C ATOM 498 C MET A 32 4.259 3.234 3.249 1.00 0.00 C ATOM 499 O MET A 32 4.733 2.291 2.649 1.00 0.00 O ATOM 500 CB MET A 32 4.952 5.621 3.401 1.00 0.00 C ATOM 501 CG MET A 32 5.985 6.601 3.963 1.00 0.00 C ATOM 502 SD MET A 32 5.415 7.231 5.562 1.00 0.00 S ATOM 503 CE MET A 32 5.178 8.953 5.058 1.00 0.00 C ATOM 0 H MET A 32 6.873 3.424 3.030 1.00 0.00 H new ATOM 0 HA MET A 32 4.858 4.227 5.067 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.048 5.564 2.317 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.946 5.983 3.613 1.00 0.00 H new ATOM 0 HG2 MET A 32 6.948 6.104 4.079 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.134 7.427 3.267 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.596 9.477 5.816 1.00 0.00 H new ATOM 0 HE2 MET A 32 6.149 9.437 4.947 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.647 8.984 4.107 1.00 0.00 H new ATOM 513 N THR A 33 2.967 3.471 3.250 1.00 0.00 N ATOM 514 CA THR A 33 2.021 2.584 2.508 1.00 0.00 C ATOM 515 C THR A 33 1.472 3.369 1.315 1.00 0.00 C ATOM 516 O THR A 33 1.189 4.551 1.423 1.00 0.00 O ATOM 517 CB THR A 33 0.874 2.140 3.435 1.00 0.00 C ATOM 518 OG1 THR A 33 0.082 1.158 2.775 1.00 0.00 O ATOM 519 CG2 THR A 33 -0.003 3.341 3.809 1.00 0.00 C ATOM 0 H THR A 33 2.526 4.250 3.739 1.00 0.00 H new ATOM 0 HA THR A 33 2.536 1.689 2.159 1.00 0.00 H new ATOM 0 HB THR A 33 1.299 1.717 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.840 1.480 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.810 3.012 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.602 4.087 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.426 3.778 2.905 1.00 0.00 H new ATOM 527 N PHE A 34 1.341 2.742 0.169 1.00 0.00 N ATOM 528 CA PHE A 34 0.835 3.493 -1.021 1.00 0.00 C ATOM 529 C PHE A 34 -0.029 2.605 -1.919 1.00 0.00 C ATOM 530 O PHE A 34 -0.231 1.434 -1.654 1.00 0.00 O ATOM 531 CB PHE A 34 2.006 4.047 -1.839 1.00 0.00 C ATOM 532 CG PHE A 34 3.308 3.361 -1.482 1.00 0.00 C ATOM 533 CD1 PHE A 34 4.086 3.852 -0.427 1.00 0.00 C ATOM 534 CD2 PHE A 34 3.758 2.266 -2.231 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.308 3.250 -0.117 1.00 0.00 C ATOM 536 CE2 PHE A 34 4.986 1.671 -1.926 1.00 0.00 C ATOM 537 CZ PHE A 34 5.760 2.162 -0.870 1.00 0.00 C ATOM 0 H PHE A 34 1.559 1.759 0.009 1.00 0.00 H new ATOM 0 HA PHE A 34 0.222 4.315 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.803 3.914 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.099 5.119 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.741 4.698 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.158 1.882 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.903 3.624 0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.337 0.831 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.708 1.700 -0.636 1.00 0.00 H new ATOM 547 N ARG A 35 -0.540 3.179 -2.985 1.00 0.00 N ATOM 548 CA ARG A 35 -1.409 2.414 -3.936 1.00 0.00 C ATOM 549 C ARG A 35 -1.112 2.847 -5.380 1.00 0.00 C ATOM 550 O ARG A 35 -0.232 3.654 -5.628 1.00 0.00 O ATOM 551 CB ARG A 35 -2.883 2.720 -3.635 1.00 0.00 C ATOM 552 CG ARG A 35 -3.273 2.214 -2.247 1.00 0.00 C ATOM 553 CD ARG A 35 -4.612 2.830 -1.848 1.00 0.00 C ATOM 554 NE ARG A 35 -4.428 3.797 -0.718 1.00 0.00 N ATOM 555 CZ ARG A 35 -3.808 3.456 0.385 1.00 0.00 C ATOM 556 NH1 ARG A 35 -2.500 3.436 0.435 1.00 0.00 N ATOM 557 NH2 ARG A 35 -4.506 3.156 1.450 1.00 0.00 N ATOM 0 H ARG A 35 -0.389 4.156 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.208 1.349 -3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.055 3.795 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.517 2.252 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.346 1.126 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.505 2.480 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.053 3.341 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.307 2.044 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.795 4.744 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.954 3.687 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.027 3.169 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.525 3.189 1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.031 2.890 2.313 1.00 0.00 H new ATOM 571 N LEU A 36 -1.872 2.334 -6.330 1.00 0.00 N ATOM 572 CA LEU A 36 -1.688 2.731 -7.763 1.00 0.00 C ATOM 573 C LEU A 36 -1.759 4.257 -7.823 1.00 0.00 C ATOM 574 O LEU A 36 -0.823 4.934 -8.203 1.00 0.00 O ATOM 575 CB LEU A 36 -2.824 2.106 -8.595 1.00 0.00 C ATOM 576 CG LEU A 36 -3.232 3.018 -9.763 1.00 0.00 C ATOM 577 CD1 LEU A 36 -2.041 3.250 -10.695 1.00 0.00 C ATOM 578 CD2 LEU A 36 -4.372 2.357 -10.545 1.00 0.00 C ATOM 0 H LEU A 36 -2.615 1.654 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.733 2.386 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.504 1.139 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.687 1.924 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.562 3.979 -9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.344 3.898 -11.518 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.231 3.723 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.698 2.295 -11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.665 3.000 -11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.037 1.395 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.226 2.205 -9.885 1.00 0.00 H new ATOM 590 N LEU A 37 -2.868 4.775 -7.388 1.00 0.00 N ATOM 591 CA LEU A 37 -3.086 6.241 -7.320 1.00 0.00 C ATOM 592 C LEU A 37 -3.937 6.466 -6.067 1.00 0.00 C ATOM 593 O LEU A 37 -4.889 7.226 -6.058 1.00 0.00 O ATOM 594 CB LEU A 37 -3.805 6.728 -8.592 1.00 0.00 C ATOM 595 CG LEU A 37 -5.179 6.055 -8.731 1.00 0.00 C ATOM 596 CD1 LEU A 37 -6.287 7.080 -8.471 1.00 0.00 C ATOM 597 CD2 LEU A 37 -5.333 5.501 -10.151 1.00 0.00 C ATOM 0 H LEU A 37 -3.661 4.221 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.152 6.801 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.927 7.811 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.195 6.506 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.256 5.244 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.259 6.598 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.183 7.481 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.209 7.892 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.307 5.023 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.253 6.316 -10.870 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.548 4.769 -10.343 1.00 0.00 H new ATOM 609 N LEU A 38 -3.599 5.739 -5.014 1.00 0.00 N ATOM 610 CA LEU A 38 -4.361 5.795 -3.734 1.00 0.00 C ATOM 611 C LEU A 38 -5.710 5.089 -3.969 1.00 0.00 C ATOM 612 O LEU A 38 -6.746 5.538 -3.530 1.00 0.00 O ATOM 613 CB LEU A 38 -4.515 7.262 -3.282 1.00 0.00 C ATOM 614 CG LEU A 38 -5.535 7.409 -2.142 1.00 0.00 C ATOM 615 CD1 LEU A 38 -4.949 8.292 -1.036 1.00 0.00 C ATOM 616 CD2 LEU A 38 -6.811 8.071 -2.677 1.00 0.00 C ATOM 0 H LEU A 38 -2.806 5.098 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.839 5.283 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.548 7.644 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.828 7.872 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.767 6.422 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.675 8.394 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.038 7.834 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.716 9.277 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.534 8.175 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.570 9.056 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.237 7.453 -3.467 1.00 0.00 H new ATOM 628 N VAL A 39 -5.678 3.960 -4.675 1.00 0.00 N ATOM 629 CA VAL A 39 -6.926 3.175 -4.962 1.00 0.00 C ATOM 630 C VAL A 39 -7.840 3.131 -3.721 1.00 0.00 C ATOM 631 O VAL A 39 -7.694 2.285 -2.856 1.00 0.00 O ATOM 632 CB VAL A 39 -6.522 1.746 -5.354 1.00 0.00 C ATOM 633 CG1 VAL A 39 -7.772 0.877 -5.531 1.00 0.00 C ATOM 634 CG2 VAL A 39 -5.744 1.785 -6.673 1.00 0.00 C ATOM 0 H VAL A 39 -4.826 3.555 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.475 3.653 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.899 1.322 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.476 -0.134 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.330 0.847 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.401 1.299 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.455 0.773 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.372 2.214 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.850 2.396 -6.550 1.00 0.00 H new ATOM 644 N ASP A 40 -8.774 4.049 -3.638 1.00 0.00 N ATOM 645 CA ASP A 40 -9.710 4.094 -2.471 1.00 0.00 C ATOM 646 C ASP A 40 -10.949 4.919 -2.855 1.00 0.00 C ATOM 647 O ASP A 40 -11.216 5.968 -2.290 1.00 0.00 O ATOM 648 CB ASP A 40 -8.997 4.735 -1.267 1.00 0.00 C ATOM 649 CG ASP A 40 -8.586 3.649 -0.265 1.00 0.00 C ATOM 650 OD1 ASP A 40 -9.459 3.138 0.419 1.00 0.00 O ATOM 651 OD2 ASP A 40 -7.405 3.350 -0.196 1.00 0.00 O ATOM 0 H ASP A 40 -8.928 4.776 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.019 3.084 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.117 5.283 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.656 5.456 -0.785 1.00 0.00 H new ATOM 656 N THR A 41 -11.704 4.455 -3.824 1.00 0.00 N ATOM 657 CA THR A 41 -12.918 5.202 -4.265 1.00 0.00 C ATOM 658 C THR A 41 -14.088 4.943 -3.291 1.00 0.00 C ATOM 659 O THR A 41 -14.639 5.886 -2.753 1.00 0.00 O ATOM 660 CB THR A 41 -13.284 4.766 -5.694 1.00 0.00 C ATOM 661 OG1 THR A 41 -12.500 5.503 -6.623 1.00 0.00 O ATOM 662 CG2 THR A 41 -14.765 5.024 -5.965 1.00 0.00 C ATOM 0 H THR A 41 -11.527 3.586 -4.328 1.00 0.00 H new ATOM 0 HA THR A 41 -12.713 6.273 -4.262 1.00 0.00 H new ATOM 0 HB THR A 41 -13.086 3.700 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.729 5.227 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.009 4.711 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.369 4.458 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.975 6.088 -5.853 1.00 0.00 H new ATOM 670 N PRO A 42 -14.440 3.682 -3.086 1.00 0.00 N ATOM 671 CA PRO A 42 -15.546 3.317 -2.175 1.00 0.00 C ATOM 672 C PRO A 42 -15.222 3.751 -0.738 1.00 0.00 C ATOM 673 O PRO A 42 -14.344 3.199 -0.096 1.00 0.00 O ATOM 674 CB PRO A 42 -15.655 1.788 -2.271 1.00 0.00 C ATOM 675 CG PRO A 42 -14.546 1.297 -3.234 1.00 0.00 C ATOM 676 CD PRO A 42 -13.780 2.531 -3.736 1.00 0.00 C ATOM 0 HA PRO A 42 -16.481 3.808 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.536 1.334 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.638 1.497 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.871 0.611 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.981 0.751 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.725 2.477 -3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.828 2.610 -4.822 1.00 0.00 H new ATOM 684 N GLU A 43 -15.927 4.737 -0.235 1.00 0.00 N ATOM 685 CA GLU A 43 -15.678 5.221 1.160 1.00 0.00 C ATOM 686 C GLU A 43 -17.007 5.639 1.813 1.00 0.00 C ATOM 687 O GLU A 43 -17.049 6.520 2.655 1.00 0.00 O ATOM 688 CB GLU A 43 -14.709 6.414 1.122 1.00 0.00 C ATOM 689 CG GLU A 43 -15.232 7.487 0.155 1.00 0.00 C ATOM 690 CD GLU A 43 -15.393 8.819 0.894 1.00 0.00 C ATOM 691 OE1 GLU A 43 -14.410 9.534 1.010 1.00 0.00 O ATOM 692 OE2 GLU A 43 -16.498 9.105 1.328 1.00 0.00 O ATOM 0 H GLU A 43 -16.668 5.229 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.235 4.418 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.600 6.836 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.720 6.080 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.541 7.605 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -16.189 7.176 -0.265 1.00 0.00 H new ATOM 699 N THR A 44 -18.088 5.000 1.432 1.00 0.00 N ATOM 700 CA THR A 44 -19.426 5.337 2.016 1.00 0.00 C ATOM 701 C THR A 44 -20.329 4.097 1.956 1.00 0.00 C ATOM 702 O THR A 44 -20.254 3.309 1.029 1.00 0.00 O ATOM 703 CB THR A 44 -20.070 6.479 1.214 1.00 0.00 C ATOM 704 OG1 THR A 44 -19.200 7.606 1.200 1.00 0.00 O ATOM 705 CG2 THR A 44 -21.405 6.873 1.851 1.00 0.00 C ATOM 0 H THR A 44 -18.101 4.254 0.736 1.00 0.00 H new ATOM 0 HA THR A 44 -19.302 5.653 3.052 1.00 0.00 H new ATOM 0 HB THR A 44 -20.244 6.142 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.613 8.332 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.857 7.683 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 44 -22.075 6.013 1.854 1.00 0.00 H new ATOM 0 HG23 THR A 44 -21.236 7.204 2.876 1.00 0.00 H new ATOM 713 N LYS A 45 -21.187 3.924 2.936 1.00 0.00 N ATOM 714 CA LYS A 45 -22.101 2.741 2.939 1.00 0.00 C ATOM 715 C LYS A 45 -23.280 3.012 1.996 1.00 0.00 C ATOM 716 O LYS A 45 -24.253 3.649 2.364 1.00 0.00 O ATOM 717 CB LYS A 45 -22.611 2.484 4.362 1.00 0.00 C ATOM 718 CG LYS A 45 -23.105 1.038 4.476 1.00 0.00 C ATOM 719 CD LYS A 45 -22.888 0.530 5.904 1.00 0.00 C ATOM 720 CE LYS A 45 -24.223 0.517 6.655 1.00 0.00 C ATOM 721 NZ LYS A 45 -24.472 1.858 7.258 1.00 0.00 N ATOM 0 H LYS A 45 -21.292 4.552 3.733 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.561 1.859 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.814 2.665 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -23.419 3.175 4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.162 0.983 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.570 0.404 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.462 -0.473 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.174 1.169 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.033 0.258 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.206 -0.245 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.379 1.847 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.705 2.088 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.506 2.576 6.506 1.00 0.00 H new ATOM 735 N HIS A 46 -23.193 2.528 0.780 1.00 0.00 N ATOM 736 CA HIS A 46 -24.292 2.741 -0.212 1.00 0.00 C ATOM 737 C HIS A 46 -24.184 1.694 -1.338 1.00 0.00 C ATOM 738 O HIS A 46 -25.073 0.873 -1.481 1.00 0.00 O ATOM 739 CB HIS A 46 -24.207 4.159 -0.795 1.00 0.00 C ATOM 740 CG HIS A 46 -25.288 5.018 -0.199 1.00 0.00 C ATOM 741 ND1 HIS A 46 -26.633 4.802 -0.456 1.00 0.00 N ATOM 742 CD2 HIS A 46 -25.238 6.100 0.647 1.00 0.00 C ATOM 743 CE1 HIS A 46 -27.330 5.733 0.221 1.00 0.00 C ATOM 744 NE2 HIS A 46 -26.528 6.550 0.910 1.00 0.00 N ATOM 0 H HIS A 46 -22.400 1.990 0.430 1.00 0.00 H new ATOM 0 HA HIS A 46 -25.254 2.627 0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -23.229 4.591 -0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -24.314 4.124 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -24.334 6.535 1.047 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -28.407 5.810 0.209 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -26.802 7.335 1.501 1.00 0.00 H new ATOM 752 N PRO A 47 -23.100 1.738 -2.102 1.00 0.00 N ATOM 753 CA PRO A 47 -22.883 0.779 -3.207 1.00 0.00 C ATOM 754 C PRO A 47 -22.770 -0.646 -2.647 1.00 0.00 C ATOM 755 O PRO A 47 -21.846 -0.961 -1.916 1.00 0.00 O ATOM 756 CB PRO A 47 -21.561 1.212 -3.857 1.00 0.00 C ATOM 757 CG PRO A 47 -21.009 2.411 -3.047 1.00 0.00 C ATOM 758 CD PRO A 47 -22.020 2.735 -1.938 1.00 0.00 C ATOM 0 HA PRO A 47 -23.704 0.777 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.847 0.389 -3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -21.721 1.494 -4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.037 2.167 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.863 3.275 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.561 2.662 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.402 3.751 -2.037 1.00 0.00 H new ATOM 766 N LYS A 48 -23.714 -1.502 -2.979 1.00 0.00 N ATOM 767 CA LYS A 48 -23.695 -2.915 -2.473 1.00 0.00 C ATOM 768 C LYS A 48 -23.816 -2.928 -0.939 1.00 0.00 C ATOM 769 O LYS A 48 -23.963 -1.894 -0.307 1.00 0.00 O ATOM 770 CB LYS A 48 -22.389 -3.604 -2.896 1.00 0.00 C ATOM 771 CG LYS A 48 -22.304 -3.655 -4.424 1.00 0.00 C ATOM 772 CD LYS A 48 -21.070 -4.458 -4.845 1.00 0.00 C ATOM 773 CE LYS A 48 -19.837 -3.547 -4.836 1.00 0.00 C ATOM 774 NZ LYS A 48 -18.701 -4.241 -5.508 1.00 0.00 N ATOM 0 H LYS A 48 -24.503 -1.278 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 48 -24.540 -3.454 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.534 -3.062 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.350 -4.613 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.205 -4.113 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -22.248 -2.645 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.920 -5.297 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.218 -4.877 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -20.060 -2.611 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.567 -3.293 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.864 -3.623 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.484 -5.123 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.961 -4.462 -6.490 1.00 0.00 H new ATOM 788 N LYS A 49 -23.762 -4.094 -0.337 1.00 0.00 N ATOM 789 CA LYS A 49 -23.876 -4.186 1.151 1.00 0.00 C ATOM 790 C LYS A 49 -22.510 -3.914 1.795 1.00 0.00 C ATOM 791 O LYS A 49 -21.501 -4.465 1.388 1.00 0.00 O ATOM 792 CB LYS A 49 -24.355 -5.588 1.539 1.00 0.00 C ATOM 793 CG LYS A 49 -25.012 -5.540 2.921 1.00 0.00 C ATOM 794 CD LYS A 49 -25.176 -6.965 3.456 1.00 0.00 C ATOM 795 CE LYS A 49 -24.038 -7.284 4.430 1.00 0.00 C ATOM 796 NZ LYS A 49 -23.463 -8.621 4.105 1.00 0.00 N ATOM 0 H LYS A 49 -23.644 -4.987 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.592 -3.444 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.065 -5.959 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -23.514 -6.281 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -24.402 -4.951 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.983 -5.050 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -26.138 -7.067 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -25.171 -7.677 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -23.265 -6.519 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -24.409 -7.276 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.690 -8.837 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -24.203 -9.347 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -23.094 -8.613 3.133 1.00 0.00 H new ATOM 810 N GLY A 50 -22.478 -3.069 2.800 1.00 0.00 N ATOM 811 CA GLY A 50 -21.188 -2.750 3.486 1.00 0.00 C ATOM 812 C GLY A 50 -20.829 -3.879 4.457 1.00 0.00 C ATOM 813 O GLY A 50 -21.598 -4.213 5.342 1.00 0.00 O ATOM 0 H GLY A 50 -23.295 -2.586 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -20.394 -2.624 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.275 -1.807 4.025 1.00 0.00 H new ATOM 817 N VAL A 51 -19.667 -4.469 4.294 1.00 0.00 N ATOM 818 CA VAL A 51 -19.240 -5.577 5.193 1.00 0.00 C ATOM 819 C VAL A 51 -17.798 -5.309 5.676 1.00 0.00 C ATOM 820 O VAL A 51 -17.277 -4.218 5.522 1.00 0.00 O ATOM 821 CB VAL A 51 -19.337 -6.905 4.413 1.00 0.00 C ATOM 822 CG1 VAL A 51 -18.050 -7.162 3.616 1.00 0.00 C ATOM 823 CG2 VAL A 51 -19.577 -8.064 5.389 1.00 0.00 C ATOM 0 H VAL A 51 -18.994 -4.224 3.568 1.00 0.00 H new ATOM 0 HA VAL A 51 -19.884 -5.640 6.070 1.00 0.00 H new ATOM 0 HB VAL A 51 -20.171 -6.835 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -18.140 -8.103 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -17.892 -6.349 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.203 -7.217 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -19.645 -8.999 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -18.750 -8.121 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -20.507 -7.896 5.932 1.00 0.00 H new ATOM 833 N GLU A 52 -17.161 -6.294 6.259 1.00 0.00 N ATOM 834 CA GLU A 52 -15.759 -6.112 6.760 1.00 0.00 C ATOM 835 C GLU A 52 -14.777 -6.081 5.573 1.00 0.00 C ATOM 836 O GLU A 52 -15.177 -5.977 4.427 1.00 0.00 O ATOM 837 CB GLU A 52 -15.405 -7.274 7.696 1.00 0.00 C ATOM 838 CG GLU A 52 -14.850 -6.725 9.016 1.00 0.00 C ATOM 839 CD GLU A 52 -13.417 -7.231 9.223 1.00 0.00 C ATOM 840 OE1 GLU A 52 -12.501 -6.564 8.767 1.00 0.00 O ATOM 841 OE2 GLU A 52 -13.261 -8.275 9.836 1.00 0.00 O ATOM 0 H GLU A 52 -17.553 -7.223 6.411 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.686 -5.169 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -16.289 -7.882 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.668 -7.923 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.863 -5.635 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.481 -7.041 9.847 1.00 0.00 H new ATOM 848 N LYS A 53 -13.491 -6.168 5.849 1.00 0.00 N ATOM 849 CA LYS A 53 -12.469 -6.144 4.753 1.00 0.00 C ATOM 850 C LYS A 53 -12.780 -7.243 3.728 1.00 0.00 C ATOM 851 O LYS A 53 -12.944 -8.399 4.075 1.00 0.00 O ATOM 852 CB LYS A 53 -11.076 -6.380 5.348 1.00 0.00 C ATOM 853 CG LYS A 53 -10.007 -5.909 4.358 1.00 0.00 C ATOM 854 CD LYS A 53 -8.632 -5.938 5.034 1.00 0.00 C ATOM 855 CE LYS A 53 -8.036 -7.346 4.933 1.00 0.00 C ATOM 856 NZ LYS A 53 -7.235 -7.463 3.679 1.00 0.00 N ATOM 0 H LYS A 53 -13.108 -6.255 6.790 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.495 -5.173 4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.976 -5.841 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.939 -7.438 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.004 -6.551 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.234 -4.899 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.967 -5.216 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.724 -5.646 6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.406 -7.548 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.833 -8.090 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.723 -8.368 3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.870 -7.423 2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.553 -6.679 3.628 1.00 0.00 H new ATOM 870 N TYR A 54 -12.870 -6.882 2.469 1.00 0.00 N ATOM 871 CA TYR A 54 -13.179 -7.889 1.411 1.00 0.00 C ATOM 872 C TYR A 54 -12.210 -7.717 0.234 1.00 0.00 C ATOM 873 O TYR A 54 -12.255 -6.729 -0.481 1.00 0.00 O ATOM 874 CB TYR A 54 -14.620 -7.687 0.926 1.00 0.00 C ATOM 875 CG TYR A 54 -15.239 -9.026 0.602 1.00 0.00 C ATOM 876 CD1 TYR A 54 -15.023 -9.613 -0.651 1.00 0.00 C ATOM 877 CD2 TYR A 54 -16.030 -9.680 1.556 1.00 0.00 C ATOM 878 CE1 TYR A 54 -15.598 -10.854 -0.951 1.00 0.00 C ATOM 879 CE2 TYR A 54 -16.605 -10.920 1.256 1.00 0.00 C ATOM 880 CZ TYR A 54 -16.389 -11.507 0.003 1.00 0.00 C ATOM 881 OH TYR A 54 -16.955 -12.732 -0.293 1.00 0.00 O ATOM 0 H TYR A 54 -12.742 -5.928 2.131 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.069 -8.893 1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -15.205 -7.181 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.631 -7.047 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -14.413 -9.109 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.196 -9.227 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -15.432 -11.307 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.215 -11.424 1.991 1.00 0.00 H new ATOM 0 HH TYR A 54 -17.472 -13.048 0.477 1.00 0.00 H new ATOM 891 N GLY A 55 -11.338 -8.676 0.027 1.00 0.00 N ATOM 892 CA GLY A 55 -10.364 -8.588 -1.105 1.00 0.00 C ATOM 893 C GLY A 55 -11.051 -9.020 -2.410 1.00 0.00 C ATOM 894 O GLY A 55 -12.048 -9.718 -2.381 1.00 0.00 O ATOM 0 H GLY A 55 -11.260 -9.519 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.991 -7.568 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.502 -9.226 -0.907 1.00 0.00 H new ATOM 898 N PRO A 56 -10.494 -8.583 -3.521 1.00 0.00 N ATOM 899 CA PRO A 56 -11.034 -8.903 -4.861 1.00 0.00 C ATOM 900 C PRO A 56 -10.872 -10.402 -5.176 1.00 0.00 C ATOM 901 O PRO A 56 -10.656 -11.216 -4.296 1.00 0.00 O ATOM 902 CB PRO A 56 -10.190 -8.057 -5.830 1.00 0.00 C ATOM 903 CG PRO A 56 -9.085 -7.353 -5.004 1.00 0.00 C ATOM 904 CD PRO A 56 -9.289 -7.732 -3.530 1.00 0.00 C ATOM 0 HA PRO A 56 -12.100 -8.686 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.747 -8.687 -6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.814 -7.322 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.097 -7.663 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.142 -6.272 -5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.425 -8.267 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.426 -6.846 -2.909 1.00 0.00 H new ATOM 912 N GLU A 57 -10.968 -10.758 -6.434 1.00 0.00 N ATOM 913 CA GLU A 57 -10.813 -12.191 -6.842 1.00 0.00 C ATOM 914 C GLU A 57 -9.677 -12.297 -7.865 1.00 0.00 C ATOM 915 O GLU A 57 -8.671 -12.936 -7.616 1.00 0.00 O ATOM 916 CB GLU A 57 -12.123 -12.731 -7.448 1.00 0.00 C ATOM 917 CG GLU A 57 -12.886 -11.619 -8.188 1.00 0.00 C ATOM 918 CD GLU A 57 -13.375 -12.144 -9.542 1.00 0.00 C ATOM 919 OE1 GLU A 57 -12.627 -12.039 -10.501 1.00 0.00 O ATOM 920 OE2 GLU A 57 -14.488 -12.641 -9.597 1.00 0.00 O ATOM 0 H GLU A 57 -11.149 -10.112 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.576 -12.790 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.901 -13.545 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.750 -13.144 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.733 -11.285 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.238 -10.755 -8.334 1.00 0.00 H new ATOM 927 N ALA A 58 -9.818 -11.654 -9.003 1.00 0.00 N ATOM 928 CA ALA A 58 -8.738 -11.689 -10.034 1.00 0.00 C ATOM 929 C ALA A 58 -7.641 -10.703 -9.621 1.00 0.00 C ATOM 930 O ALA A 58 -6.463 -10.993 -9.724 1.00 0.00 O ATOM 931 CB ALA A 58 -9.309 -11.286 -11.396 1.00 0.00 C ATOM 0 H ALA A 58 -10.639 -11.106 -9.259 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.327 -12.696 -10.110 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.517 -11.313 -12.145 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.100 -11.981 -11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.717 -10.277 -11.335 1.00 0.00 H new ATOM 937 N SER A 59 -8.031 -9.543 -9.135 1.00 0.00 N ATOM 938 CA SER A 59 -7.032 -8.527 -8.690 1.00 0.00 C ATOM 939 C SER A 59 -6.367 -9.000 -7.389 1.00 0.00 C ATOM 940 O SER A 59 -5.218 -8.698 -7.136 1.00 0.00 O ATOM 941 CB SER A 59 -7.731 -7.186 -8.448 1.00 0.00 C ATOM 942 OG SER A 59 -7.762 -6.447 -9.662 1.00 0.00 O ATOM 0 H SER A 59 -9.005 -9.261 -9.029 1.00 0.00 H new ATOM 0 HA SER A 59 -6.274 -8.403 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.745 -7.352 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.204 -6.622 -7.679 1.00 0.00 H new ATOM 0 HG SER A 59 -8.210 -5.589 -9.511 1.00 0.00 H new ATOM 948 N ALA A 60 -7.081 -9.748 -6.570 1.00 0.00 N ATOM 949 CA ALA A 60 -6.491 -10.254 -5.287 1.00 0.00 C ATOM 950 C ALA A 60 -5.244 -11.094 -5.593 1.00 0.00 C ATOM 951 O ALA A 60 -4.233 -10.980 -4.921 1.00 0.00 O ATOM 952 CB ALA A 60 -7.521 -11.116 -4.553 1.00 0.00 C ATOM 0 H ALA A 60 -8.047 -10.028 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.214 -9.408 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.091 -11.483 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.406 -10.518 -4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.801 -11.962 -5.181 1.00 0.00 H new ATOM 958 N PHE A 61 -5.306 -11.923 -6.612 1.00 0.00 N ATOM 959 CA PHE A 61 -4.127 -12.764 -6.989 1.00 0.00 C ATOM 960 C PHE A 61 -2.998 -11.861 -7.508 1.00 0.00 C ATOM 961 O PHE A 61 -1.834 -12.200 -7.423 1.00 0.00 O ATOM 962 CB PHE A 61 -4.535 -13.753 -8.088 1.00 0.00 C ATOM 963 CG PHE A 61 -5.098 -15.006 -7.460 1.00 0.00 C ATOM 964 CD1 PHE A 61 -6.340 -14.970 -6.812 1.00 0.00 C ATOM 965 CD2 PHE A 61 -4.379 -16.205 -7.527 1.00 0.00 C ATOM 966 CE1 PHE A 61 -6.861 -16.133 -6.232 1.00 0.00 C ATOM 967 CE2 PHE A 61 -4.901 -17.367 -6.948 1.00 0.00 C ATOM 968 CZ PHE A 61 -6.141 -17.332 -6.300 1.00 0.00 C ATOM 0 H PHE A 61 -6.129 -12.052 -7.200 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.780 -13.314 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.277 -13.298 -8.743 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.672 -14.000 -8.707 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.895 -14.045 -6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.421 -16.233 -8.026 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.818 -16.105 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.346 -18.292 -7.001 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.542 -18.229 -5.853 1.00 0.00 H new ATOM 978 N THR A 62 -3.342 -10.709 -8.035 1.00 0.00 N ATOM 979 CA THR A 62 -2.307 -9.758 -8.550 1.00 0.00 C ATOM 980 C THR A 62 -1.720 -8.970 -7.372 1.00 0.00 C ATOM 981 O THR A 62 -0.547 -8.653 -7.356 1.00 0.00 O ATOM 982 CB THR A 62 -2.943 -8.779 -9.554 1.00 0.00 C ATOM 983 OG1 THR A 62 -4.068 -9.383 -10.187 1.00 0.00 O ATOM 984 CG2 THR A 62 -1.911 -8.394 -10.617 1.00 0.00 C ATOM 0 H THR A 62 -4.304 -10.385 -8.131 1.00 0.00 H new ATOM 0 HA THR A 62 -1.519 -10.319 -9.052 1.00 0.00 H new ATOM 0 HB THR A 62 -3.271 -7.889 -9.018 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.465 -8.750 -10.822 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.362 -7.701 -11.327 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.056 -7.917 -10.138 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.580 -9.289 -11.144 1.00 0.00 H new ATOM 992 N LYS A 63 -2.536 -8.649 -6.392 1.00 0.00 N ATOM 993 CA LYS A 63 -2.048 -7.870 -5.211 1.00 0.00 C ATOM 994 C LYS A 63 -1.289 -8.775 -4.223 1.00 0.00 C ATOM 995 O LYS A 63 -0.688 -8.287 -3.282 1.00 0.00 O ATOM 996 CB LYS A 63 -3.244 -7.225 -4.496 1.00 0.00 C ATOM 997 CG LYS A 63 -4.025 -6.341 -5.477 1.00 0.00 C ATOM 998 CD LYS A 63 -3.174 -5.134 -5.885 1.00 0.00 C ATOM 999 CE LYS A 63 -2.858 -5.210 -7.381 1.00 0.00 C ATOM 1000 NZ LYS A 63 -3.969 -4.592 -8.160 1.00 0.00 N ATOM 0 H LYS A 63 -3.525 -8.896 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.363 -7.100 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.897 -7.998 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.896 -6.628 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.300 -6.918 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.953 -6.003 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.706 -4.209 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.249 -5.117 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.922 -4.693 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.724 -6.249 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.752 -4.645 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.854 -5.103 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.077 -3.596 -7.880 1.00 0.00 H new ATOM 1014 N LYS A 64 -1.286 -10.079 -4.427 1.00 0.00 N ATOM 1015 CA LYS A 64 -0.547 -10.982 -3.508 1.00 0.00 C ATOM 1016 C LYS A 64 0.938 -10.958 -3.888 1.00 0.00 C ATOM 1017 O LYS A 64 1.791 -11.282 -3.083 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.107 -12.406 -3.630 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.657 -13.026 -4.952 1.00 0.00 C ATOM 1020 CD LYS A 64 0.739 -13.609 -4.796 1.00 0.00 C ATOM 1021 CE LYS A 64 0.706 -15.119 -5.051 1.00 0.00 C ATOM 1022 NZ LYS A 64 2.038 -15.708 -4.736 1.00 0.00 N ATOM 0 H LYS A 64 -1.768 -10.546 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.663 -10.650 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.761 -13.016 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.196 -12.384 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.355 -13.806 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.661 -12.271 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.423 -13.128 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.116 -13.409 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.064 -15.585 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.446 -15.317 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.014 -16.733 -4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.763 -15.271 -5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.268 -15.531 -3.737 1.00 0.00 H new ATOM 1036 N MET A 65 1.250 -10.561 -5.112 1.00 0.00 N ATOM 1037 CA MET A 65 2.676 -10.491 -5.555 1.00 0.00 C ATOM 1038 C MET A 65 3.463 -9.595 -4.589 1.00 0.00 C ATOM 1039 O MET A 65 4.655 -9.745 -4.435 1.00 0.00 O ATOM 1040 CB MET A 65 2.751 -9.923 -6.980 1.00 0.00 C ATOM 1041 CG MET A 65 2.336 -8.448 -6.990 1.00 0.00 C ATOM 1042 SD MET A 65 3.793 -7.414 -7.272 1.00 0.00 S ATOM 1043 CE MET A 65 3.495 -7.091 -9.027 1.00 0.00 C ATOM 0 H MET A 65 0.569 -10.284 -5.818 1.00 0.00 H new ATOM 0 HA MET A 65 3.109 -11.491 -5.553 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.765 -10.025 -7.366 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.100 -10.495 -7.641 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.596 -8.273 -7.771 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.868 -8.184 -6.042 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.447 -7.056 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.876 -7.886 -9.443 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.982 -6.136 -9.139 1.00 0.00 H new ATOM 1053 N LEU A 66 2.782 -8.682 -3.930 1.00 0.00 N ATOM 1054 CA LEU A 66 3.449 -7.772 -2.951 1.00 0.00 C ATOM 1055 C LEU A 66 3.598 -8.487 -1.601 1.00 0.00 C ATOM 1056 O LEU A 66 4.403 -8.094 -0.774 1.00 0.00 O ATOM 1057 CB LEU A 66 2.581 -6.521 -2.763 1.00 0.00 C ATOM 1058 CG LEU A 66 3.456 -5.330 -2.358 1.00 0.00 C ATOM 1059 CD1 LEU A 66 2.987 -4.083 -3.107 1.00 0.00 C ATOM 1060 CD2 LEU A 66 3.336 -5.089 -0.849 1.00 0.00 C ATOM 0 H LEU A 66 1.779 -8.531 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 66 4.434 -7.493 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.050 -6.295 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.826 -6.704 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 66 4.495 -5.543 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.607 -3.233 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.072 -4.250 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.947 -3.876 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.960 -4.241 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.297 -4.876 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.665 -5.978 -0.311 1.00 0.00 H new ATOM 1072 N GLU A 67 2.838 -9.538 -1.374 1.00 0.00 N ATOM 1073 CA GLU A 67 2.942 -10.282 -0.086 1.00 0.00 C ATOM 1074 C GLU A 67 4.140 -11.231 -0.151 1.00 0.00 C ATOM 1075 O GLU A 67 4.749 -11.546 0.857 1.00 0.00 O ATOM 1076 CB GLU A 67 1.655 -11.081 0.151 1.00 0.00 C ATOM 1077 CG GLU A 67 0.905 -10.508 1.360 1.00 0.00 C ATOM 1078 CD GLU A 67 1.713 -10.755 2.641 1.00 0.00 C ATOM 1079 OE1 GLU A 67 1.607 -11.841 3.187 1.00 0.00 O ATOM 1080 OE2 GLU A 67 2.423 -9.851 3.056 1.00 0.00 O ATOM 0 H GLU A 67 2.151 -9.908 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 67 3.080 -9.579 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.022 -11.039 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.894 -12.131 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.741 -9.439 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.077 -10.973 1.444 1.00 0.00 H new ATOM 1087 N ASN A 68 4.478 -11.687 -1.335 1.00 0.00 N ATOM 1088 CA ASN A 68 5.636 -12.621 -1.492 1.00 0.00 C ATOM 1089 C ASN A 68 6.717 -11.993 -2.399 1.00 0.00 C ATOM 1090 O ASN A 68 7.590 -12.680 -2.902 1.00 0.00 O ATOM 1091 CB ASN A 68 5.128 -13.944 -2.084 1.00 0.00 C ATOM 1092 CG ASN A 68 4.746 -13.773 -3.562 1.00 0.00 C ATOM 1093 OD1 ASN A 68 3.703 -13.052 -3.898 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 5.408 -14.306 -4.430 1.00 0.00 N flip ATOM 0 H ASN A 68 3.998 -11.450 -2.203 1.00 0.00 H new ATOM 0 HA ASN A 68 6.090 -12.811 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.899 -14.709 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.263 -14.292 -1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.221 -14.869 -4.178 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.151 -14.191 -5.410 1.00 0.00 H new ATOM 1101 N ALA A 69 6.669 -10.693 -2.598 1.00 0.00 N ATOM 1102 CA ALA A 69 7.683 -9.996 -3.455 1.00 0.00 C ATOM 1103 C ALA A 69 8.965 -9.742 -2.647 1.00 0.00 C ATOM 1104 O ALA A 69 8.916 -9.315 -1.508 1.00 0.00 O ATOM 1105 CB ALA A 69 7.089 -8.669 -3.935 1.00 0.00 C ATOM 0 H ALA A 69 5.960 -10.079 -2.197 1.00 0.00 H new ATOM 0 HA ALA A 69 7.935 -10.618 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.816 -8.150 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.186 -8.863 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.842 -8.048 -3.074 1.00 0.00 H new ATOM 1111 N LYS A 70 10.112 -10.008 -3.235 1.00 0.00 N ATOM 1112 CA LYS A 70 11.411 -9.796 -2.516 1.00 0.00 C ATOM 1113 C LYS A 70 12.094 -8.526 -3.040 1.00 0.00 C ATOM 1114 O LYS A 70 12.404 -7.624 -2.283 1.00 0.00 O ATOM 1115 CB LYS A 70 12.325 -11.003 -2.749 1.00 0.00 C ATOM 1116 CG LYS A 70 13.365 -11.083 -1.630 1.00 0.00 C ATOM 1117 CD LYS A 70 14.236 -12.329 -1.826 1.00 0.00 C ATOM 1118 CE LYS A 70 14.807 -12.774 -0.477 1.00 0.00 C ATOM 1119 NZ LYS A 70 16.071 -12.033 -0.200 1.00 0.00 N ATOM 0 H LYS A 70 10.203 -10.364 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 70 11.218 -9.685 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.735 -11.919 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.822 -10.915 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.987 -10.188 -1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.869 -11.123 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.645 -13.133 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.047 -12.113 -2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.083 -12.587 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.998 -13.847 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.458 -12.336 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.762 -12.233 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.876 -11.012 -0.172 1.00 0.00 H new ATOM 1133 N LYS A 71 12.309 -8.446 -4.333 1.00 0.00 N ATOM 1134 CA LYS A 71 12.950 -7.227 -4.928 1.00 0.00 C ATOM 1135 C LYS A 71 11.824 -6.329 -5.426 1.00 0.00 C ATOM 1136 O LYS A 71 11.313 -6.516 -6.512 1.00 0.00 O ATOM 1137 CB LYS A 71 13.865 -7.629 -6.093 1.00 0.00 C ATOM 1138 CG LYS A 71 15.105 -8.348 -5.551 1.00 0.00 C ATOM 1139 CD LYS A 71 16.070 -7.326 -4.942 1.00 0.00 C ATOM 1140 CE LYS A 71 16.315 -7.663 -3.467 1.00 0.00 C ATOM 1141 NZ LYS A 71 17.387 -8.697 -3.362 1.00 0.00 N ATOM 0 H LYS A 71 12.067 -9.175 -5.004 1.00 0.00 H new ATOM 0 HA LYS A 71 13.561 -6.707 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.327 -8.280 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.163 -6.745 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.813 -9.080 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.599 -8.896 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.013 -7.332 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.656 -6.322 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.607 -6.765 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.396 -8.029 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.553 -8.925 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.092 -9.556 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.265 -8.331 -3.783 1.00 0.00 H new ATOM 1155 N ILE A 72 11.408 -5.379 -4.620 1.00 0.00 N ATOM 1156 CA ILE A 72 10.276 -4.502 -5.005 1.00 0.00 C ATOM 1157 C ILE A 72 10.771 -3.341 -5.823 1.00 0.00 C ATOM 1158 O ILE A 72 11.201 -2.334 -5.306 1.00 0.00 O ATOM 1159 CB ILE A 72 9.577 -3.992 -3.746 1.00 0.00 C ATOM 1160 CG1 ILE A 72 8.915 -5.161 -3.008 1.00 0.00 C ATOM 1161 CG2 ILE A 72 8.514 -2.959 -4.121 1.00 0.00 C ATOM 1162 CD1 ILE A 72 9.540 -5.313 -1.622 1.00 0.00 C ATOM 0 H ILE A 72 11.814 -5.179 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 72 9.569 -5.074 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 72 10.318 -3.526 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.843 -4.986 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.041 -6.082 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.020 -2.600 -3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.986 -2.121 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.777 -3.418 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.068 -6.145 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.608 -5.508 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.391 -4.395 -1.053 1.00 0.00 H new ATOM 1174 N GLU A 73 10.667 -3.475 -7.102 1.00 0.00 N ATOM 1175 CA GLU A 73 11.082 -2.383 -8.006 1.00 0.00 C ATOM 1176 C GLU A 73 9.943 -1.359 -8.012 1.00 0.00 C ATOM 1177 O GLU A 73 9.237 -1.197 -8.993 1.00 0.00 O ATOM 1178 CB GLU A 73 11.323 -2.961 -9.406 1.00 0.00 C ATOM 1179 CG GLU A 73 12.806 -3.317 -9.567 1.00 0.00 C ATOM 1180 CD GLU A 73 13.165 -4.483 -8.634 1.00 0.00 C ATOM 1181 OE1 GLU A 73 12.910 -5.617 -9.006 1.00 0.00 O ATOM 1182 OE2 GLU A 73 13.687 -4.220 -7.562 1.00 0.00 O ATOM 0 H GLU A 73 10.307 -4.307 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 73 12.007 -1.906 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.707 -3.848 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.028 -2.237 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.014 -3.590 -10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.425 -2.450 -9.336 1.00 0.00 H new ATOM 1189 N VAL A 74 9.745 -0.695 -6.885 1.00 0.00 N ATOM 1190 CA VAL A 74 8.632 0.308 -6.763 1.00 0.00 C ATOM 1191 C VAL A 74 8.685 1.255 -7.956 1.00 0.00 C ATOM 1192 O VAL A 74 9.560 2.097 -8.057 1.00 0.00 O ATOM 1193 CB VAL A 74 8.714 1.134 -5.455 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.363 1.089 -4.748 1.00 0.00 C ATOM 1195 CG2 VAL A 74 9.774 0.589 -4.494 1.00 0.00 C ATOM 0 H VAL A 74 10.311 -0.808 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 74 7.693 -0.245 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 74 8.987 2.153 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.415 1.669 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.597 1.511 -5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.110 0.055 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.795 1.200 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.531 -0.440 -4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.751 0.619 -4.975 1.00 0.00 H new ATOM 1205 N GLU A 75 7.758 1.107 -8.867 1.00 0.00 N ATOM 1206 CA GLU A 75 7.739 1.974 -10.072 1.00 0.00 C ATOM 1207 C GLU A 75 7.006 3.279 -9.749 1.00 0.00 C ATOM 1208 O GLU A 75 5.898 3.512 -10.193 1.00 0.00 O ATOM 1209 CB GLU A 75 7.043 1.225 -11.218 1.00 0.00 C ATOM 1210 CG GLU A 75 7.982 1.141 -12.424 1.00 0.00 C ATOM 1211 CD GLU A 75 8.118 -0.316 -12.875 1.00 0.00 C ATOM 1212 OE1 GLU A 75 8.770 -1.075 -12.176 1.00 0.00 O ATOM 1213 OE2 GLU A 75 7.570 -0.648 -13.913 1.00 0.00 O ATOM 0 H GLU A 75 7.009 0.416 -8.823 1.00 0.00 H new ATOM 0 HA GLU A 75 8.757 2.217 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.762 0.223 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.123 1.740 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.595 1.750 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.961 1.543 -12.163 1.00 0.00 H new ATOM 1220 N PHE A 76 7.635 4.131 -8.975 1.00 0.00 N ATOM 1221 CA PHE A 76 7.010 5.436 -8.606 1.00 0.00 C ATOM 1222 C PHE A 76 7.991 6.585 -8.912 1.00 0.00 C ATOM 1223 O PHE A 76 7.870 7.671 -8.375 1.00 0.00 O ATOM 1224 CB PHE A 76 6.635 5.413 -7.113 1.00 0.00 C ATOM 1225 CG PHE A 76 7.821 5.796 -6.257 1.00 0.00 C ATOM 1226 CD1 PHE A 76 8.909 4.928 -6.143 1.00 0.00 C ATOM 1227 CD2 PHE A 76 7.829 7.023 -5.582 1.00 0.00 C ATOM 1228 CE1 PHE A 76 10.009 5.282 -5.358 1.00 0.00 C ATOM 1229 CE2 PHE A 76 8.928 7.378 -4.795 1.00 0.00 C ATOM 1230 CZ PHE A 76 10.019 6.509 -4.683 1.00 0.00 C ATOM 0 H PHE A 76 8.563 3.974 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 76 6.104 5.596 -9.191 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.810 6.102 -6.930 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.287 4.418 -6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.900 3.981 -6.663 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.987 7.694 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.850 4.610 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.935 8.323 -4.273 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.869 6.785 -4.076 1.00 0.00 H new ATOM 1240 N ASP A 77 8.953 6.334 -9.783 1.00 0.00 N ATOM 1241 CA ASP A 77 9.974 7.367 -10.175 1.00 0.00 C ATOM 1242 C ASP A 77 10.507 8.121 -8.943 1.00 0.00 C ATOM 1243 O ASP A 77 10.483 7.609 -7.837 1.00 0.00 O ATOM 1244 CB ASP A 77 9.374 8.340 -11.214 1.00 0.00 C ATOM 1245 CG ASP A 77 8.090 8.997 -10.691 1.00 0.00 C ATOM 1246 OD1 ASP A 77 8.196 9.952 -9.939 1.00 0.00 O ATOM 1247 OD2 ASP A 77 7.020 8.540 -11.065 1.00 0.00 O ATOM 0 H ASP A 77 9.073 5.434 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 77 10.822 6.857 -10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.105 9.111 -11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 77 9.159 7.802 -12.137 1.00 0.00 H new ATOM 1252 N LYS A 78 11.010 9.323 -9.130 1.00 0.00 N ATOM 1253 CA LYS A 78 11.561 10.103 -7.977 1.00 0.00 C ATOM 1254 C LYS A 78 10.479 10.285 -6.905 1.00 0.00 C ATOM 1255 O LYS A 78 10.745 10.173 -5.721 1.00 0.00 O ATOM 1256 CB LYS A 78 12.035 11.477 -8.467 1.00 0.00 C ATOM 1257 CG LYS A 78 12.911 12.135 -7.396 1.00 0.00 C ATOM 1258 CD LYS A 78 14.293 11.473 -7.378 1.00 0.00 C ATOM 1259 CE LYS A 78 14.720 11.217 -5.930 1.00 0.00 C ATOM 1260 NZ LYS A 78 14.100 9.951 -5.439 1.00 0.00 N ATOM 0 H LYS A 78 11.061 9.795 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 78 12.402 9.560 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.598 11.369 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.176 12.111 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.011 13.201 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.439 12.040 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.265 10.534 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.021 12.114 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.806 11.149 -5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.416 12.051 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.364 9.798 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.065 10.019 -5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.438 9.153 -6.014 1.00 0.00 H new ATOM 1274 N GLY A 79 9.262 10.558 -7.314 1.00 0.00 N ATOM 1275 CA GLY A 79 8.154 10.745 -6.331 1.00 0.00 C ATOM 1276 C GLY A 79 7.006 11.513 -6.991 1.00 0.00 C ATOM 1277 O GLY A 79 7.223 12.479 -7.701 1.00 0.00 O ATOM 0 H GLY A 79 8.990 10.659 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.801 9.776 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.516 11.290 -5.459 1.00 0.00 H new ATOM 1281 N GLN A 80 5.785 11.093 -6.754 1.00 0.00 N ATOM 1282 CA GLN A 80 4.613 11.797 -7.356 1.00 0.00 C ATOM 1283 C GLN A 80 4.418 13.131 -6.636 1.00 0.00 C ATOM 1284 O GLN A 80 4.426 14.181 -7.254 1.00 0.00 O ATOM 1285 CB GLN A 80 3.350 10.941 -7.199 1.00 0.00 C ATOM 1286 CG GLN A 80 3.325 9.848 -8.274 1.00 0.00 C ATOM 1287 CD GLN A 80 4.317 8.737 -7.914 1.00 0.00 C ATOM 1288 OE1 GLN A 80 4.360 8.283 -6.690 1.00 0.00 O flip ATOM 1289 NE2 GLN A 80 5.062 8.277 -8.756 1.00 0.00 N flip ATOM 0 H GLN A 80 5.552 10.291 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 80 4.794 11.967 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.327 10.489 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.462 11.568 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.320 9.435 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.580 10.274 -9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.030 8.630 -9.713 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.719 7.538 -8.507 1.00 0.00 H new ATOM 1298 N ARG A 81 4.253 13.092 -5.330 1.00 0.00 N ATOM 1299 CA ARG A 81 4.065 14.348 -4.542 1.00 0.00 C ATOM 1300 C ARG A 81 2.860 15.133 -5.098 1.00 0.00 C ATOM 1301 O ARG A 81 2.885 16.347 -5.213 1.00 0.00 O ATOM 1302 CB ARG A 81 5.353 15.178 -4.626 1.00 0.00 C ATOM 1303 CG ARG A 81 5.386 16.203 -3.488 1.00 0.00 C ATOM 1304 CD ARG A 81 6.128 15.611 -2.286 1.00 0.00 C ATOM 1305 NE ARG A 81 5.194 14.772 -1.480 1.00 0.00 N ATOM 1306 CZ ARG A 81 5.666 13.927 -0.602 1.00 0.00 C ATOM 1307 NH1 ARG A 81 5.978 14.341 0.599 1.00 0.00 N ATOM 1308 NH2 ARG A 81 5.827 12.670 -0.925 1.00 0.00 N ATOM 0 H ARG A 81 4.241 12.235 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 81 3.861 14.116 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.223 14.524 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.406 15.688 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.881 17.115 -3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.371 16.477 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.970 15.009 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.537 16.411 -1.669 1.00 0.00 H new ATOM 0 HE ARG A 81 4.187 14.858 -1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.853 15.322 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.347 13.683 1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.584 12.349 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.195 12.010 -0.240 1.00 0.00 H new ATOM 1322 N THR A 82 1.807 14.428 -5.444 1.00 0.00 N ATOM 1323 CA THR A 82 0.580 15.078 -6.000 1.00 0.00 C ATOM 1324 C THR A 82 -0.643 14.654 -5.151 1.00 0.00 C ATOM 1325 O THR A 82 -0.592 14.722 -3.939 1.00 0.00 O ATOM 1326 CB THR A 82 0.411 14.620 -7.450 1.00 0.00 C ATOM 1327 OG1 THR A 82 1.677 14.589 -8.100 1.00 0.00 O ATOM 1328 CG2 THR A 82 -0.520 15.577 -8.201 1.00 0.00 C ATOM 0 H THR A 82 1.748 13.413 -5.362 1.00 0.00 H new ATOM 0 HA THR A 82 0.666 16.164 -5.970 1.00 0.00 H new ATOM 0 HB THR A 82 -0.023 13.620 -7.451 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.562 14.293 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.633 15.241 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.496 15.591 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.095 16.581 -8.191 1.00 0.00 H new ATOM 1336 N ASP A 83 -1.730 14.208 -5.774 1.00 0.00 N ATOM 1337 CA ASP A 83 -2.952 13.758 -5.014 1.00 0.00 C ATOM 1338 C ASP A 83 -3.208 14.661 -3.787 1.00 0.00 C ATOM 1339 O ASP A 83 -2.936 15.849 -3.815 1.00 0.00 O ATOM 1340 CB ASP A 83 -2.734 12.303 -4.570 1.00 0.00 C ATOM 1341 CG ASP A 83 -4.040 11.511 -4.708 1.00 0.00 C ATOM 1342 OD1 ASP A 83 -4.345 11.094 -5.814 1.00 0.00 O ATOM 1343 OD2 ASP A 83 -4.710 11.331 -3.704 1.00 0.00 O ATOM 0 H ASP A 83 -1.816 14.139 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.828 13.829 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.954 11.842 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.391 12.277 -3.536 1.00 0.00 H new ATOM 1348 N LYS A 84 -3.721 14.102 -2.709 1.00 0.00 N ATOM 1349 CA LYS A 84 -3.976 14.913 -1.482 1.00 0.00 C ATOM 1350 C LYS A 84 -2.649 15.079 -0.735 1.00 0.00 C ATOM 1351 O LYS A 84 -2.267 16.175 -0.366 1.00 0.00 O ATOM 1352 CB LYS A 84 -4.991 14.193 -0.587 1.00 0.00 C ATOM 1353 CG LYS A 84 -6.003 15.203 -0.040 1.00 0.00 C ATOM 1354 CD LYS A 84 -5.817 15.353 1.473 1.00 0.00 C ATOM 1355 CE LYS A 84 -4.698 16.360 1.757 1.00 0.00 C ATOM 1356 NZ LYS A 84 -5.078 17.214 2.919 1.00 0.00 N ATOM 0 H LYS A 84 -3.972 13.116 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.380 15.889 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.506 13.418 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.477 13.696 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.870 16.168 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.018 14.871 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.747 15.689 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.573 14.388 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.767 15.834 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.522 16.981 0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.318 17.897 3.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.957 17.726 2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.225 16.615 3.757 1.00 0.00 H new ATOM 1370 N TYR A 85 -1.937 13.992 -0.530 1.00 0.00 N ATOM 1371 CA TYR A 85 -0.618 14.060 0.169 1.00 0.00 C ATOM 1372 C TYR A 85 0.501 13.891 -0.869 1.00 0.00 C ATOM 1373 O TYR A 85 1.596 14.395 -0.696 1.00 0.00 O ATOM 1374 CB TYR A 85 -0.516 12.934 1.211 1.00 0.00 C ATOM 1375 CG TYR A 85 -1.846 12.741 1.906 1.00 0.00 C ATOM 1376 CD1 TYR A 85 -2.248 13.630 2.911 1.00 0.00 C ATOM 1377 CD2 TYR A 85 -2.676 11.674 1.540 1.00 0.00 C ATOM 1378 CE1 TYR A 85 -3.481 13.450 3.550 1.00 0.00 C ATOM 1379 CE2 TYR A 85 -3.908 11.495 2.180 1.00 0.00 C ATOM 1380 CZ TYR A 85 -4.310 12.383 3.185 1.00 0.00 C ATOM 1381 OH TYR A 85 -5.526 12.205 3.815 1.00 0.00 O ATOM 0 H TYR A 85 -2.219 13.056 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.523 15.021 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.213 12.006 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.254 13.176 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.608 14.453 3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.366 10.990 0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.792 14.135 4.325 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -4.548 10.672 1.899 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.976 11.419 3.441 1.00 0.00 H new ATOM 1391 N GLY A 86 0.228 13.177 -1.942 1.00 0.00 N ATOM 1392 CA GLY A 86 1.258 12.955 -2.998 1.00 0.00 C ATOM 1393 C GLY A 86 2.271 11.935 -2.488 1.00 0.00 C ATOM 1394 O GLY A 86 3.469 12.136 -2.571 1.00 0.00 O ATOM 0 H GLY A 86 -0.674 12.738 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.789 12.596 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.757 13.893 -3.242 1.00 0.00 H new ATOM 1398 N ARG A 87 1.788 10.842 -1.954 1.00 0.00 N ATOM 1399 CA ARG A 87 2.692 9.785 -1.420 1.00 0.00 C ATOM 1400 C ARG A 87 3.301 8.996 -2.587 1.00 0.00 C ATOM 1401 O ARG A 87 3.556 9.540 -3.649 1.00 0.00 O ATOM 1402 CB ARG A 87 1.874 8.864 -0.506 1.00 0.00 C ATOM 1403 CG ARG A 87 0.847 8.082 -1.332 1.00 0.00 C ATOM 1404 CD ARG A 87 -0.469 8.010 -0.563 1.00 0.00 C ATOM 1405 NE ARG A 87 -0.936 6.601 -0.480 1.00 0.00 N ATOM 1406 CZ ARG A 87 -1.793 6.268 0.447 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -1.371 5.957 1.645 1.00 0.00 N ATOM 1408 NH2 ARG A 87 -3.067 6.247 0.174 1.00 0.00 N ATOM 0 H ARG A 87 0.793 10.637 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 87 3.506 10.229 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.537 8.172 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.366 9.454 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.692 8.568 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.217 7.077 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.336 8.417 0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.223 8.622 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.591 5.903 -1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.373 5.975 1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.040 5.697 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.392 6.490 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.739 5.987 0.896 1.00 0.00 H new ATOM 1422 N VAL A 88 3.531 7.722 -2.404 1.00 0.00 N ATOM 1423 CA VAL A 88 4.114 6.895 -3.494 1.00 0.00 C ATOM 1424 C VAL A 88 2.964 6.341 -4.352 1.00 0.00 C ATOM 1425 O VAL A 88 2.824 5.143 -4.535 1.00 0.00 O ATOM 1426 CB VAL A 88 4.923 5.754 -2.871 1.00 0.00 C ATOM 1427 CG1 VAL A 88 5.566 4.902 -3.967 1.00 0.00 C ATOM 1428 CG2 VAL A 88 6.019 6.333 -1.972 1.00 0.00 C ATOM 0 H VAL A 88 3.337 7.218 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 88 4.776 7.490 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 88 4.253 5.130 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.138 4.094 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.788 4.481 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.230 5.523 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.594 5.520 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.681 6.964 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.564 6.928 -1.180 1.00 0.00 H new ATOM 1438 N LEU A 89 2.134 7.217 -4.872 1.00 0.00 N ATOM 1439 CA LEU A 89 0.985 6.772 -5.711 1.00 0.00 C ATOM 1440 C LEU A 89 1.494 6.345 -7.091 1.00 0.00 C ATOM 1441 O LEU A 89 1.409 7.081 -8.060 1.00 0.00 O ATOM 1442 CB LEU A 89 -0.027 7.918 -5.853 1.00 0.00 C ATOM 1443 CG LEU A 89 -0.645 8.246 -4.487 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -1.913 9.075 -4.690 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -0.999 6.949 -3.749 1.00 0.00 C ATOM 0 H LEU A 89 2.208 8.227 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 89 0.493 5.924 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.466 8.801 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.810 7.637 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 89 0.074 8.811 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.354 9.309 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.663 10.001 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.628 8.507 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.437 7.190 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.716 6.378 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.096 6.356 -3.602 1.00 0.00 H new ATOM 1457 N ALA A 90 2.023 5.152 -7.175 1.00 0.00 N ATOM 1458 CA ALA A 90 2.543 4.638 -8.470 1.00 0.00 C ATOM 1459 C ALA A 90 2.299 3.124 -8.528 1.00 0.00 C ATOM 1460 O ALA A 90 1.173 2.706 -8.703 1.00 0.00 O ATOM 1461 CB ALA A 90 4.029 4.967 -8.585 1.00 0.00 C ATOM 0 H ALA A 90 2.116 4.507 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 90 2.029 5.109 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.413 4.591 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.167 6.047 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.570 4.498 -7.763 1.00 0.00 H new ATOM 1467 N TYR A 91 3.314 2.288 -8.378 1.00 0.00 N ATOM 1468 CA TYR A 91 3.053 0.814 -8.422 1.00 0.00 C ATOM 1469 C TYR A 91 4.191 -0.001 -7.804 1.00 0.00 C ATOM 1470 O TYR A 91 5.267 0.502 -7.532 1.00 0.00 O ATOM 1471 CB TYR A 91 2.812 0.377 -9.861 1.00 0.00 C ATOM 1472 CG TYR A 91 1.324 0.211 -10.050 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.587 -0.530 -9.118 1.00 0.00 C ATOM 1474 CD2 TYR A 91 0.681 0.810 -11.135 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -0.790 -0.678 -9.274 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -0.698 0.663 -11.291 1.00 0.00 C ATOM 1477 CZ TYR A 91 -1.435 -0.082 -10.364 1.00 0.00 C ATOM 1478 OH TYR A 91 -2.797 -0.236 -10.527 1.00 0.00 O ATOM 0 H TYR A 91 4.286 2.561 -8.231 1.00 0.00 H new ATOM 0 HA TYR A 91 2.163 0.621 -7.823 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.205 1.119 -10.556 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.330 -0.559 -10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.087 -0.988 -8.277 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.249 1.385 -11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.358 -1.251 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.198 1.125 -12.129 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.975 -0.698 -11.373 1.00 0.00 H new ATOM 1488 N ILE A 92 3.928 -1.270 -7.571 1.00 0.00 N ATOM 1489 CA ILE A 92 4.940 -2.177 -6.948 1.00 0.00 C ATOM 1490 C ILE A 92 5.053 -3.469 -7.769 1.00 0.00 C ATOM 1491 O ILE A 92 4.076 -4.177 -7.944 1.00 0.00 O ATOM 1492 CB ILE A 92 4.474 -2.557 -5.534 1.00 0.00 C ATOM 1493 CG1 ILE A 92 3.753 -1.377 -4.858 1.00 0.00 C ATOM 1494 CG2 ILE A 92 5.679 -2.978 -4.695 1.00 0.00 C ATOM 1495 CD1 ILE A 92 4.732 -0.233 -4.608 1.00 0.00 C ATOM 0 H ILE A 92 3.039 -1.718 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 92 5.902 -1.665 -6.915 1.00 0.00 H new ATOM 0 HB ILE A 92 3.772 -3.388 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.934 -1.033 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.314 -1.702 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.348 -3.247 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.164 -3.836 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.386 -2.151 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.209 0.595 -4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.537 -0.578 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.150 0.102 -5.557 1.00 0.00 H new ATOM 1507 N TYR A 93 6.232 -3.801 -8.252 1.00 0.00 N ATOM 1508 CA TYR A 93 6.389 -5.070 -9.037 1.00 0.00 C ATOM 1509 C TYR A 93 7.623 -5.827 -8.560 1.00 0.00 C ATOM 1510 O TYR A 93 8.667 -5.794 -9.194 1.00 0.00 O ATOM 1511 CB TYR A 93 6.554 -4.780 -10.530 1.00 0.00 C ATOM 1512 CG TYR A 93 5.508 -3.818 -10.996 1.00 0.00 C ATOM 1513 CD1 TYR A 93 4.152 -4.068 -10.767 1.00 0.00 C ATOM 1514 CD2 TYR A 93 5.908 -2.665 -11.656 1.00 0.00 C ATOM 1515 CE1 TYR A 93 3.200 -3.150 -11.205 1.00 0.00 C ATOM 1516 CE2 TYR A 93 4.966 -1.748 -12.098 1.00 0.00 C ATOM 1517 CZ TYR A 93 3.605 -1.984 -11.874 1.00 0.00 C ATOM 1518 OH TYR A 93 2.667 -1.072 -12.311 1.00 0.00 O ATOM 0 H TYR A 93 7.084 -3.252 -8.137 1.00 0.00 H new ATOM 0 HA TYR A 93 5.490 -5.666 -8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.545 -4.368 -10.719 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.481 -5.708 -11.097 1.00 0.00 H new ATOM 0 HD1 TYR A 93 3.844 -4.967 -10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.958 -2.481 -11.826 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.151 -3.335 -11.030 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.282 -0.854 -12.614 1.00 0.00 H new ATOM 0 HH TYR A 93 1.923 -1.037 -11.674 1.00 0.00 H new ATOM 1528 N ALA A 94 7.517 -6.528 -7.466 1.00 0.00 N ATOM 1529 CA ALA A 94 8.685 -7.299 -6.988 1.00 0.00 C ATOM 1530 C ALA A 94 8.504 -8.750 -7.412 1.00 0.00 C ATOM 1531 O ALA A 94 7.685 -9.466 -6.859 1.00 0.00 O ATOM 1532 CB ALA A 94 8.796 -7.216 -5.473 1.00 0.00 C ATOM 0 H ALA A 94 6.678 -6.597 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 94 9.598 -6.887 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.661 -7.789 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.913 -6.175 -5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.893 -7.625 -5.019 1.00 0.00 H new ATOM 1538 N ASP A 95 9.230 -9.182 -8.415 1.00 0.00 N ATOM 1539 CA ASP A 95 9.076 -10.586 -8.913 1.00 0.00 C ATOM 1540 C ASP A 95 7.644 -10.786 -9.447 1.00 0.00 C ATOM 1541 O ASP A 95 7.233 -11.894 -9.745 1.00 0.00 O ATOM 1542 CB ASP A 95 9.325 -11.568 -7.767 1.00 0.00 C ATOM 1543 CG ASP A 95 10.739 -11.374 -7.205 1.00 0.00 C ATOM 1544 OD1 ASP A 95 11.658 -11.969 -7.746 1.00 0.00 O ATOM 1545 OD2 ASP A 95 10.878 -10.637 -6.241 1.00 0.00 O ATOM 0 H ASP A 95 9.924 -8.622 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 95 9.796 -10.766 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.588 -11.414 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.203 -12.591 -8.122 1.00 0.00 H new ATOM 1550 N GLY A 96 6.886 -9.716 -9.566 1.00 0.00 N ATOM 1551 CA GLY A 96 5.491 -9.810 -10.069 1.00 0.00 C ATOM 1552 C GLY A 96 5.420 -9.177 -11.431 1.00 0.00 C ATOM 1553 O GLY A 96 5.029 -9.815 -12.392 1.00 0.00 O ATOM 0 H GLY A 96 7.189 -8.771 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.179 -10.853 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.809 -9.307 -9.384 1.00 0.00 H new ATOM 1557 N LYS A 97 5.765 -7.910 -11.501 1.00 0.00 N ATOM 1558 CA LYS A 97 5.680 -7.154 -12.804 1.00 0.00 C ATOM 1559 C LYS A 97 4.408 -7.623 -13.536 1.00 0.00 C ATOM 1560 O LYS A 97 4.378 -7.806 -14.741 1.00 0.00 O ATOM 1561 CB LYS A 97 6.940 -7.395 -13.656 1.00 0.00 C ATOM 1562 CG LYS A 97 7.064 -8.874 -14.028 1.00 0.00 C ATOM 1563 CD LYS A 97 8.179 -9.048 -15.062 1.00 0.00 C ATOM 1564 CE LYS A 97 7.748 -10.071 -16.117 1.00 0.00 C ATOM 1565 NZ LYS A 97 8.478 -9.812 -17.391 1.00 0.00 N ATOM 0 H LYS A 97 6.104 -7.362 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 97 5.625 -6.081 -12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.895 -6.789 -14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.825 -7.078 -13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.282 -9.467 -13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.119 -9.239 -14.431 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.400 -8.092 -15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.094 -9.380 -14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.957 -11.081 -15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.673 -10.007 -16.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.185 -10.507 -18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.258 -8.853 -17.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.502 -9.895 -17.227 1.00 0.00 H new ATOM 1579 N MET A 98 3.369 -7.843 -12.762 1.00 0.00 N ATOM 1580 CA MET A 98 2.065 -8.335 -13.288 1.00 0.00 C ATOM 1581 C MET A 98 0.989 -7.312 -12.945 1.00 0.00 C ATOM 1582 O MET A 98 0.154 -6.979 -13.767 1.00 0.00 O ATOM 1583 CB MET A 98 1.727 -9.672 -12.614 1.00 0.00 C ATOM 1584 CG MET A 98 2.088 -9.601 -11.122 1.00 0.00 C ATOM 1585 SD MET A 98 1.638 -11.157 -10.312 1.00 0.00 S ATOM 1586 CE MET A 98 3.005 -12.157 -10.950 1.00 0.00 C ATOM 0 H MET A 98 3.379 -7.694 -11.753 1.00 0.00 H new ATOM 0 HA MET A 98 2.119 -8.474 -14.368 1.00 0.00 H new ATOM 0 HB2 MET A 98 0.666 -9.893 -12.732 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.276 -10.482 -13.094 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.155 -9.414 -11.004 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.565 -8.769 -10.650 1.00 0.00 H new ATOM 0 HE1 MET A 98 2.606 -13.020 -11.483 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.608 -11.556 -11.631 1.00 0.00 H new ATOM 0 HE3 MET A 98 3.625 -12.498 -10.121 1.00 0.00 H new ATOM 1596 N VAL A 99 1.031 -6.786 -11.736 1.00 0.00 N ATOM 1597 CA VAL A 99 0.051 -5.744 -11.325 1.00 0.00 C ATOM 1598 C VAL A 99 0.165 -4.587 -12.315 1.00 0.00 C ATOM 1599 O VAL A 99 -0.771 -3.836 -12.519 1.00 0.00 O ATOM 1600 CB VAL A 99 0.385 -5.249 -9.913 1.00 0.00 C ATOM 1601 CG1 VAL A 99 -0.524 -4.077 -9.555 1.00 0.00 C ATOM 1602 CG2 VAL A 99 0.172 -6.379 -8.904 1.00 0.00 C ATOM 0 H VAL A 99 1.710 -7.042 -11.019 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.961 -6.149 -11.321 1.00 0.00 H new ATOM 0 HB VAL A 99 1.426 -4.928 -9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.286 -3.725 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.372 -3.267 -10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.565 -4.400 -9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.411 -6.022 -7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.868 -6.703 -8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.821 -7.218 -9.155 1.00 0.00 H new ATOM 1612 N ASN A 100 1.320 -4.454 -12.937 1.00 0.00 N ATOM 1613 CA ASN A 100 1.524 -3.355 -13.939 1.00 0.00 C ATOM 1614 C ASN A 100 0.400 -3.383 -14.992 1.00 0.00 C ATOM 1615 O ASN A 100 -0.016 -2.350 -15.486 1.00 0.00 O ATOM 1616 CB ASN A 100 2.891 -3.522 -14.624 1.00 0.00 C ATOM 1617 CG ASN A 100 2.827 -4.643 -15.667 1.00 0.00 C ATOM 1618 OD1 ASN A 100 2.723 -5.802 -15.321 1.00 0.00 O ATOM 1619 ND2 ASN A 100 2.880 -4.345 -16.937 1.00 0.00 N ATOM 0 H ASN A 100 2.128 -5.060 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 100 1.498 -2.395 -13.423 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.183 -2.587 -15.102 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.653 -3.751 -13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.834 -5.086 -17.637 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.967 -3.372 -17.229 1.00 0.00 H new ATOM 1626 N GLU A 101 -0.095 -4.554 -15.330 1.00 0.00 N ATOM 1627 CA GLU A 101 -1.195 -4.657 -16.340 1.00 0.00 C ATOM 1628 C GLU A 101 -2.522 -4.213 -15.709 1.00 0.00 C ATOM 1629 O GLU A 101 -3.351 -3.606 -16.363 1.00 0.00 O ATOM 1630 CB GLU A 101 -1.319 -6.108 -16.818 1.00 0.00 C ATOM 1631 CG GLU A 101 -0.162 -6.440 -17.765 1.00 0.00 C ATOM 1632 CD GLU A 101 0.393 -7.829 -17.435 1.00 0.00 C ATOM 1633 OE1 GLU A 101 1.277 -7.910 -16.597 1.00 0.00 O ATOM 1634 OE2 GLU A 101 -0.074 -8.790 -18.026 1.00 0.00 O ATOM 0 H GLU A 101 0.219 -5.445 -14.946 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.964 -4.012 -17.188 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.308 -6.785 -15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.272 -6.253 -17.327 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.506 -6.411 -18.799 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.625 -5.691 -17.670 1.00 0.00 H new ATOM 1641 N ALA A 102 -2.727 -4.517 -14.444 1.00 0.00 N ATOM 1642 CA ALA A 102 -3.997 -4.121 -13.756 1.00 0.00 C ATOM 1643 C ALA A 102 -4.150 -2.594 -13.778 1.00 0.00 C ATOM 1644 O ALA A 102 -3.248 -1.864 -13.399 1.00 0.00 O ATOM 1645 CB ALA A 102 -3.965 -4.610 -12.304 1.00 0.00 C ATOM 0 H ALA A 102 -2.064 -5.025 -13.859 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.842 -4.573 -14.276 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.889 -4.322 -11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.866 -5.695 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.117 -4.161 -11.787 1.00 0.00 H new ATOM 1651 N LEU A 103 -5.288 -2.112 -14.223 1.00 0.00 N ATOM 1652 CA LEU A 103 -5.522 -0.633 -14.279 1.00 0.00 C ATOM 1653 C LEU A 103 -6.869 -0.286 -13.622 1.00 0.00 C ATOM 1654 O LEU A 103 -7.848 -0.965 -13.898 1.00 0.00 O ATOM 1655 CB LEU A 103 -5.517 -0.159 -15.744 1.00 0.00 C ATOM 1656 CG LEU A 103 -6.443 -1.039 -16.595 1.00 0.00 C ATOM 1657 CD1 LEU A 103 -7.565 -0.181 -17.187 1.00 0.00 C ATOM 1658 CD2 LEU A 103 -5.640 -1.677 -17.734 1.00 0.00 C ATOM 1659 OXT LEU A 103 -6.897 0.658 -12.848 1.00 0.00 O ATOM 0 H LEU A 103 -6.067 -2.682 -14.551 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.724 -0.127 -13.736 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.842 0.880 -15.798 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.503 -0.197 -16.141 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.873 -1.820 -15.968 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.222 -0.807 -17.791 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.139 0.274 -16.380 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.134 0.601 -17.812 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.298 -2.302 -18.338 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.209 -0.894 -18.358 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.841 -2.289 -17.317 1.00 0.00 H new TER 1671 LEU A 103