USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 938 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 75 MET CE :methyl -148:sc= -7.65! (180deg=-9.12!) USER MOD Set 1.2: A 110 ASN : amide:sc= -3.63! C(o=-11!,f=-11!) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.127 K(o=0.68,f=-1.5) USER MOD Set 2.2: A 38 GLN : amide:sc= 0.557 K(o=0.68,f=-0.52) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.73 K(o=-2.9,f=-20!) USER MOD Set 3.2: A 60 SER OG : rot -162:sc= -0.251 USER MOD Set 3.3: A 90 THR OG1 : rot 112:sc= -2.18! USER MOD Set 3.4: A 92 SER OG : rot -158:sc= 1.05! USER MOD Set 3.5: A 105 THR OG1 : rot 154:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -106:sc= -2.04 (180deg=-4.14!) USER MOD Single : A 5 ASN :FLIP amide:sc= -1.94 F(o=-3.4!,f=-1.9) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.311 F(o=-1.5!,f=-0.31) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -133:sc= -3.1! USER MOD Single : A 17 ASN : amide:sc= -3.74 K(o=-3.7,f=-17!) USER MOD Single : A 23 THR OG1 : rot 137:sc= 1.16 USER MOD Single : A 27 HIS :FLIP no HE2:sc= 0.134 F(o=-0.68,f=0.13) USER MOD Single : A 29 CYS SG : rot 73:sc= -3.01 USER MOD Single : A 32 THR OG1 : rot 72:sc= 0.849 USER MOD Single : A 35 TYR OH : rot 110:sc= 0.861 USER MOD Single : A 43 LYS NZ :NH3+ 137:sc= -0.0818 (180deg=-0.996) USER MOD Single : A 44 ASN : amide:sc= -3.73! C(o=-3.7!,f=-5.5!) USER MOD Single : A 49 CYS SG : rot -55:sc= -2.52 USER MOD Single : A 50 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-5.6!) USER MOD Single : A 54 GLN : amide:sc= -2.88! C(o=-2.9!,f=-6.9!) USER MOD Single : A 55 GLN : amide:sc= 0.0152 X(o=0.015,f=-0.098) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.391 F(o=-1.4!,f=-0.39) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0553 F(o=-0.58,f=-0.055) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.024 (180deg=-0.185) USER MOD Single : A 68 LYS NZ :NH3+ -133:sc= -0.282 (180deg=-0.966) USER MOD Single : A 70 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.76) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 135:sc= 0.271 USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.39 (180deg=-0.491) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.335 F(o=-2.7!,f=-0.33) USER MOD Single : A 88 MET CE :methyl 144:sc= -8.75! (180deg=-11.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.88! C(o=-4.3!,f=-1.9!) USER MOD Single : A 94 THR OG1 : rot 18:sc= 0.197 USER MOD Single : A 96 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1) USER MOD Single : A 97 ASN : amide:sc= -0.395 K(o=-0.4,f=-2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 40:sc= 1.17 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -63:sc= 0.832 USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= -0.113 (180deg=-0.334) USER MOD Single : A 115 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.69) USER MOD Single : A 116 SER OG : rot 180:sc=-0.00306 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.714 -5.741 -9.433 1.00 0.00 N ATOM 2 CA GLY A 1 -20.869 -6.713 -10.182 1.00 0.00 C ATOM 3 C GLY A 1 -20.473 -7.909 -9.337 1.00 0.00 C ATOM 4 O GLY A 1 -21.327 -8.572 -8.751 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.958 -4.943 -10.053 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.585 -6.211 -9.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.189 -5.390 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.411 -7.058 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.970 -6.210 -10.538 1.00 0.00 H new ATOM 10 N ALA A 2 -19.172 -8.182 -9.277 1.00 0.00 N ATOM 11 CA ALA A 2 -18.663 -9.304 -8.500 1.00 0.00 C ATOM 12 C ALA A 2 -17.246 -9.033 -8.006 1.00 0.00 C ATOM 13 O ALA A 2 -16.269 -9.433 -8.641 1.00 0.00 O ATOM 14 CB ALA A 2 -18.702 -10.579 -9.330 1.00 0.00 C ATOM 0 H ALA A 2 -18.453 -7.641 -9.757 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.304 -9.431 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.319 -11.410 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.730 -10.788 -9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.085 -10.453 -10.220 1.00 0.00 H new ATOM 20 N MET A 3 -17.142 -8.350 -6.871 1.00 0.00 N ATOM 21 CA MET A 3 -15.845 -8.023 -6.288 1.00 0.00 C ATOM 22 C MET A 3 -15.932 -7.992 -4.763 1.00 0.00 C ATOM 23 O MET A 3 -15.797 -6.937 -4.143 1.00 0.00 O ATOM 24 CB MET A 3 -15.351 -6.675 -6.818 1.00 0.00 C ATOM 25 CG MET A 3 -13.927 -6.331 -6.406 1.00 0.00 C ATOM 26 SD MET A 3 -12.702 -7.453 -7.109 1.00 0.00 S ATOM 27 CE MET A 3 -12.542 -8.663 -5.797 1.00 0.00 C ATOM 0 H MET A 3 -17.941 -8.011 -6.335 1.00 0.00 H new ATOM 0 HA MET A 3 -15.133 -8.797 -6.576 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.412 -6.680 -7.906 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.020 -5.890 -6.465 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.700 -5.312 -6.718 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.853 -6.355 -5.319 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.595 -8.514 -5.279 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.364 -8.545 -5.091 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.569 -9.666 -6.222 1.00 0.00 H new ATOM 37 N ASP A 4 -16.164 -9.157 -4.167 1.00 0.00 N ATOM 38 CA ASP A 4 -16.270 -9.270 -2.716 1.00 0.00 C ATOM 39 C ASP A 4 -15.607 -10.553 -2.224 1.00 0.00 C ATOM 40 O ASP A 4 -16.202 -11.629 -2.273 1.00 0.00 O ATOM 41 CB ASP A 4 -17.738 -9.242 -2.288 1.00 0.00 C ATOM 42 CG ASP A 4 -17.905 -9.356 -0.785 1.00 0.00 C ATOM 43 OD1 ASP A 4 -17.994 -10.497 -0.283 1.00 0.00 O ATOM 44 OD2 ASP A 4 -17.947 -8.306 -0.110 1.00 0.00 O ATOM 0 H ASP A 4 -16.282 -10.038 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.754 -8.420 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.196 -8.315 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.271 -10.060 -2.773 1.00 0.00 H new ATOM 49 N ASN A 5 -14.372 -10.429 -1.749 1.00 0.00 N ATOM 50 CA ASN A 5 -13.626 -11.578 -1.249 1.00 0.00 C ATOM 51 C ASN A 5 -13.788 -11.721 0.260 1.00 0.00 C ATOM 52 O ASN A 5 -14.335 -12.712 0.744 1.00 0.00 O ATOM 53 CB ASN A 5 -12.144 -11.444 -1.605 1.00 0.00 C ATOM 54 CG ASN A 5 -11.911 -11.378 -3.103 1.00 0.00 C ATOM 55 OD1 ASN A 5 -10.857 -10.680 -3.508 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 -12.670 -11.947 -3.887 1.00 0.00 N flip ATOM 0 H ASN A 5 -13.867 -9.544 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 5 -14.028 -12.473 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.741 -10.545 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.596 -12.291 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.469 -12.473 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.500 -11.893 -4.891 1.00 0.00 H new ATOM 63 N VAL A 6 -13.311 -10.724 1.000 1.00 0.00 N ATOM 64 CA VAL A 6 -13.400 -10.742 2.456 1.00 0.00 C ATOM 65 C VAL A 6 -14.495 -9.805 2.956 1.00 0.00 C ATOM 66 O VAL A 6 -15.211 -9.194 2.164 1.00 0.00 O ATOM 67 CB VAL A 6 -12.061 -10.338 3.103 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.980 -11.353 2.769 1.00 0.00 C ATOM 69 CG2 VAL A 6 -11.649 -8.943 2.656 1.00 0.00 C ATOM 0 H VAL A 6 -12.859 -9.894 0.615 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.644 -11.765 2.744 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.192 -10.323 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.042 -11.051 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.273 -12.333 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.849 -11.403 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.701 -8.676 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.536 -8.927 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.414 -8.225 2.952 1.00 0.00 H new ATOM 79 N CYS A 7 -14.620 -9.700 4.277 1.00 0.00 N ATOM 80 CA CYS A 7 -15.629 -8.837 4.883 1.00 0.00 C ATOM 81 C CYS A 7 -15.237 -7.367 4.753 1.00 0.00 C ATOM 82 O CYS A 7 -15.735 -6.658 3.879 1.00 0.00 O ATOM 83 CB CYS A 7 -15.822 -9.199 6.357 1.00 0.00 C ATOM 84 SG CYS A 7 -16.395 -10.892 6.633 1.00 0.00 S ATOM 0 H CYS A 7 -14.036 -10.201 4.947 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.569 -8.991 4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.877 -9.057 6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -16.539 -8.507 6.799 1.00 0.00 H new ATOM 0 HG CYS A 7 -16.526 -11.103 7.909 1.00 0.00 H new ATOM 90 N GLN A 8 -14.340 -6.917 5.627 1.00 0.00 N ATOM 91 CA GLN A 8 -13.880 -5.534 5.607 1.00 0.00 C ATOM 92 C GLN A 8 -12.368 -5.461 5.811 1.00 0.00 C ATOM 93 O GLN A 8 -11.772 -6.353 6.416 1.00 0.00 O ATOM 94 CB GLN A 8 -14.592 -4.717 6.681 1.00 0.00 C ATOM 95 CG GLN A 8 -16.105 -4.702 6.535 1.00 0.00 C ATOM 96 CD GLN A 8 -16.799 -3.982 7.675 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.212 -4.050 8.864 1.00 0.00 O flip ATOM 98 NE2 GLN A 8 -17.854 -3.374 7.491 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.918 -7.491 6.357 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.118 -5.114 4.630 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.334 -5.119 7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.223 -3.692 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.370 -4.221 5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.470 -5.728 6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.271 -3.347 6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.310 -2.898 8.269 1.00 0.00 H new ATOM 107 N PRO A 9 -11.728 -4.390 5.306 1.00 0.00 N ATOM 108 CA PRO A 9 -10.284 -4.198 5.415 1.00 0.00 C ATOM 109 C PRO A 9 -9.853 -3.467 6.680 1.00 0.00 C ATOM 110 O PRO A 9 -10.587 -3.390 7.666 1.00 0.00 O ATOM 111 CB PRO A 9 -9.991 -3.326 4.210 1.00 0.00 C ATOM 112 CG PRO A 9 -11.179 -2.437 4.137 1.00 0.00 C ATOM 113 CD PRO A 9 -12.356 -3.280 4.566 1.00 0.00 C ATOM 0 HA PRO A 9 -9.756 -5.151 5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.070 -2.757 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.875 -3.919 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.060 -1.572 4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.320 -2.056 3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.046 -2.717 5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.926 -3.640 3.710 1.00 0.00 H new ATOM 121 N THR A 10 -8.642 -2.923 6.609 1.00 0.00 N ATOM 122 CA THR A 10 -8.023 -2.176 7.696 1.00 0.00 C ATOM 123 C THR A 10 -6.593 -1.845 7.298 1.00 0.00 C ATOM 124 O THR A 10 -6.111 -0.730 7.488 1.00 0.00 O ATOM 125 CB THR A 10 -8.018 -2.972 9.015 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.231 -2.291 9.999 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.473 -4.372 8.800 1.00 0.00 C ATOM 0 H THR A 10 -8.054 -2.991 5.779 1.00 0.00 H new ATOM 0 HA THR A 10 -8.603 -1.269 7.865 1.00 0.00 H new ATOM 0 HB THR A 10 -9.046 -3.051 9.368 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.235 -2.804 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.480 -4.914 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.096 -4.898 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.452 -4.311 8.424 1.00 0.00 H new ATOM 135 N GLU A 11 -5.933 -2.850 6.738 1.00 0.00 N ATOM 136 CA GLU A 11 -4.565 -2.742 6.257 1.00 0.00 C ATOM 137 C GLU A 11 -4.230 -3.972 5.440 1.00 0.00 C ATOM 138 O GLU A 11 -4.574 -5.092 5.823 1.00 0.00 O ATOM 139 CB GLU A 11 -3.577 -2.603 7.407 1.00 0.00 C ATOM 140 CG GLU A 11 -3.639 -3.748 8.394 1.00 0.00 C ATOM 141 CD GLU A 11 -2.660 -3.589 9.540 1.00 0.00 C ATOM 142 OE1 GLU A 11 -3.019 -2.931 10.540 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.537 -4.125 9.441 1.00 0.00 O ATOM 0 H GLU A 11 -6.340 -3.776 6.604 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.485 -1.846 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.567 -2.536 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.772 -1.669 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.650 -3.823 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.432 -4.683 7.873 1.00 0.00 H new ATOM 150 N PHE A 12 -3.568 -3.775 4.316 1.00 0.00 N ATOM 151 CA PHE A 12 -3.205 -4.900 3.474 1.00 0.00 C ATOM 152 C PHE A 12 -1.710 -4.911 3.230 1.00 0.00 C ATOM 153 O PHE A 12 -1.119 -3.907 2.831 1.00 0.00 O ATOM 154 CB PHE A 12 -4.003 -4.906 2.159 1.00 0.00 C ATOM 155 CG PHE A 12 -3.557 -3.916 1.117 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.563 -4.248 0.209 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.158 -2.670 1.019 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.177 -3.358 -0.773 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.770 -1.773 0.042 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.778 -2.121 -0.856 1.00 0.00 C ATOM 0 H PHE A 12 -3.274 -2.862 3.968 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.467 -5.819 3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.950 -5.906 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.051 -4.714 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.085 -5.215 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.938 -2.398 1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.404 -3.631 -1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.240 -0.803 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.474 -1.423 -1.622 1.00 0.00 H new ATOM 170 N ILE A 13 -1.105 -6.055 3.492 1.00 0.00 N ATOM 171 CA ILE A 13 0.324 -6.214 3.334 1.00 0.00 C ATOM 172 C ILE A 13 0.706 -6.465 1.889 1.00 0.00 C ATOM 173 O ILE A 13 0.481 -7.549 1.357 1.00 0.00 O ATOM 174 CB ILE A 13 0.853 -7.378 4.183 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.383 -7.244 5.632 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.369 -7.423 4.107 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.187 -8.574 6.324 1.00 0.00 C ATOM 0 H ILE A 13 -1.588 -6.892 3.818 1.00 0.00 H new ATOM 0 HA ILE A 13 0.773 -5.279 3.668 1.00 0.00 H new ATOM 0 HB ILE A 13 0.456 -8.313 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.112 -6.656 6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.556 -6.690 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.739 -8.251 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.677 -7.564 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.780 -6.487 4.484 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.147 -8.406 7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.564 -9.156 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.130 -9.121 6.335 1.00 0.00 H new ATOM 189 N SER A 14 1.277 -5.460 1.254 1.00 0.00 N ATOM 190 CA SER A 14 1.717 -5.596 -0.118 1.00 0.00 C ATOM 191 C SER A 14 3.216 -5.411 -0.183 1.00 0.00 C ATOM 192 O SER A 14 3.755 -4.410 0.290 1.00 0.00 O ATOM 193 CB SER A 14 1.022 -4.573 -1.013 1.00 0.00 C ATOM 194 OG SER A 14 0.880 -5.066 -2.330 1.00 0.00 O ATOM 0 H SER A 14 1.446 -4.543 1.666 1.00 0.00 H new ATOM 0 HA SER A 14 1.456 -6.592 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.041 -4.333 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.597 -3.647 -1.027 1.00 0.00 H new ATOM 0 HG SER A 14 1.159 -4.377 -2.969 1.00 0.00 H new ATOM 200 N ARG A 15 3.883 -6.382 -0.773 1.00 0.00 N ATOM 201 CA ARG A 15 5.317 -6.330 -0.918 1.00 0.00 C ATOM 202 C ARG A 15 5.640 -5.741 -2.269 1.00 0.00 C ATOM 203 O ARG A 15 4.810 -5.781 -3.174 1.00 0.00 O ATOM 204 CB ARG A 15 5.932 -7.718 -0.771 1.00 0.00 C ATOM 205 CG ARG A 15 6.073 -8.170 0.672 1.00 0.00 C ATOM 206 CD ARG A 15 6.666 -9.567 0.764 1.00 0.00 C ATOM 207 NE ARG A 15 5.872 -10.545 0.025 1.00 0.00 N ATOM 208 CZ ARG A 15 5.531 -11.737 0.508 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.912 -12.097 1.726 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.805 -12.569 -0.227 1.00 0.00 N ATOM 0 H ARG A 15 3.449 -7.220 -1.161 1.00 0.00 H new ATOM 0 HA ARG A 15 5.741 -5.705 -0.132 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.316 -8.438 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.915 -7.723 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.707 -7.468 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.096 -8.156 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.684 -9.556 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.729 -9.867 1.810 1.00 0.00 H new ATOM 0 HE ARG A 15 5.561 -10.300 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.468 -11.459 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.649 -13.011 2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.508 -12.295 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.544 -13.483 0.144 1.00 0.00 H new ATOM 224 N HIS A 16 6.828 -5.191 -2.407 1.00 0.00 N ATOM 225 CA HIS A 16 7.213 -4.575 -3.658 1.00 0.00 C ATOM 226 C HIS A 16 8.695 -4.245 -3.672 1.00 0.00 C ATOM 227 O HIS A 16 9.399 -4.451 -2.684 1.00 0.00 O ATOM 228 CB HIS A 16 6.409 -3.291 -3.848 1.00 0.00 C ATOM 229 CG HIS A 16 6.628 -2.309 -2.744 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.866 -1.781 -2.460 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.775 -1.775 -1.836 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.772 -0.967 -1.432 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.514 -0.942 -1.034 1.00 0.00 N ATOM 0 H HIS A 16 7.538 -5.158 -1.675 1.00 0.00 H new ATOM 0 HA HIS A 16 7.010 -5.276 -4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.683 -2.832 -4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.348 -3.536 -3.907 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.725 -1.989 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.715 -1.968 -1.758 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.586 -0.413 -0.989 1.00 0.00 H new ATOM 242 N ASN A 17 9.161 -3.731 -4.800 1.00 0.00 N ATOM 243 CA ASN A 17 10.551 -3.333 -4.933 1.00 0.00 C ATOM 244 C ASN A 17 10.679 -1.864 -4.556 1.00 0.00 C ATOM 245 O ASN A 17 9.677 -1.211 -4.275 1.00 0.00 O ATOM 246 CB ASN A 17 11.048 -3.566 -6.360 1.00 0.00 C ATOM 247 CG ASN A 17 10.127 -2.961 -7.402 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.367 -2.038 -7.115 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.199 -3.473 -8.625 1.00 0.00 N ATOM 0 H ASN A 17 8.596 -3.580 -5.636 1.00 0.00 H new ATOM 0 HA ASN A 17 11.166 -3.937 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.045 -3.138 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.140 -4.637 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.610 -3.100 -9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.844 -4.239 -8.820 1.00 0.00 H new ATOM 256 N ILE A 18 11.893 -1.336 -4.544 1.00 0.00 N ATOM 257 CA ILE A 18 12.087 0.062 -4.186 1.00 0.00 C ATOM 258 C ILE A 18 11.168 0.966 -5.010 1.00 0.00 C ATOM 259 O ILE A 18 10.641 1.959 -4.506 1.00 0.00 O ATOM 260 CB ILE A 18 13.538 0.511 -4.393 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.718 1.944 -3.890 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.913 0.390 -5.860 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.479 2.100 -2.405 1.00 0.00 C ATOM 0 H ILE A 18 12.747 -1.844 -4.774 1.00 0.00 H new ATOM 0 HA ILE A 18 11.842 0.150 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 18 14.203 -0.134 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.729 2.278 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.034 2.598 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.945 0.711 -5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.809 -0.648 -6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.254 1.020 -6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.625 3.142 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.459 1.798 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.181 1.472 -1.856 1.00 0.00 H new ATOM 275 N GLU A 19 10.980 0.606 -6.278 1.00 0.00 N ATOM 276 CA GLU A 19 10.117 1.374 -7.177 1.00 0.00 C ATOM 277 C GLU A 19 8.715 1.439 -6.613 1.00 0.00 C ATOM 278 O GLU A 19 8.005 2.434 -6.761 1.00 0.00 O ATOM 279 CB GLU A 19 10.033 0.709 -8.553 1.00 0.00 C ATOM 280 CG GLU A 19 11.197 0.998 -9.477 1.00 0.00 C ATOM 281 CD GLU A 19 11.468 2.482 -9.637 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.857 3.104 -10.532 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.292 3.022 -8.868 1.00 0.00 O ATOM 0 H GLU A 19 11.413 -0.212 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 19 10.544 2.372 -7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.958 -0.370 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.113 1.032 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.092 0.510 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.994 0.563 -10.456 1.00 0.00 H new ATOM 290 N GLY A 20 8.337 0.359 -5.956 1.00 0.00 N ATOM 291 CA GLY A 20 7.016 0.255 -5.386 1.00 0.00 C ATOM 292 C GLY A 20 6.208 -0.829 -6.067 1.00 0.00 C ATOM 293 O GLY A 20 5.112 -1.171 -5.622 1.00 0.00 O ATOM 0 H GLY A 20 8.930 -0.457 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.093 0.039 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.500 1.210 -5.481 1.00 0.00 H new ATOM 297 N ILE A 21 6.756 -1.369 -7.159 1.00 0.00 N ATOM 298 CA ILE A 21 6.100 -2.425 -7.902 1.00 0.00 C ATOM 299 C ILE A 21 5.765 -3.588 -6.993 1.00 0.00 C ATOM 300 O ILE A 21 6.651 -4.270 -6.486 1.00 0.00 O ATOM 301 CB ILE A 21 6.981 -2.939 -9.033 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.602 -1.761 -9.797 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.152 -3.846 -9.928 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.637 -1.000 -10.677 1.00 0.00 C ATOM 0 H ILE A 21 7.657 -1.084 -7.542 1.00 0.00 H new ATOM 0 HA ILE A 21 5.187 -2.001 -8.320 1.00 0.00 H new ATOM 0 HB ILE A 21 7.810 -3.525 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.039 -1.069 -9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.418 -2.136 -10.415 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.773 -4.220 -10.742 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.774 -4.686 -9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.314 -3.284 -10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.164 -0.187 -11.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.217 -1.674 -11.424 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.833 -0.590 -10.066 1.00 0.00 H new ATOM 316 N PHE A 22 4.481 -3.837 -6.841 1.00 0.00 N ATOM 317 CA PHE A 22 3.997 -4.882 -5.962 1.00 0.00 C ATOM 318 C PHE A 22 4.446 -6.275 -6.370 1.00 0.00 C ATOM 319 O PHE A 22 3.917 -6.865 -7.307 1.00 0.00 O ATOM 320 CB PHE A 22 2.484 -4.835 -5.927 1.00 0.00 C ATOM 321 CG PHE A 22 1.930 -3.697 -5.118 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.520 -3.302 -3.926 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.806 -3.027 -5.553 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.987 -2.255 -3.193 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.271 -1.990 -4.828 1.00 0.00 C ATOM 326 CZ PHE A 22 0.860 -1.602 -3.649 1.00 0.00 C ATOM 0 H PHE A 22 3.744 -3.322 -7.322 1.00 0.00 H new ATOM 0 HA PHE A 22 4.424 -4.692 -4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.109 -4.759 -6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.110 -5.774 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.401 -3.814 -3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.338 -3.323 -6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.452 -1.950 -2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.612 -1.480 -5.185 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.441 -0.786 -3.079 1.00 0.00 H new ATOM 336 N THR A 23 5.418 -6.799 -5.647 1.00 0.00 N ATOM 337 CA THR A 23 5.900 -8.143 -5.890 1.00 0.00 C ATOM 338 C THR A 23 4.994 -9.122 -5.151 1.00 0.00 C ATOM 339 O THR A 23 5.152 -10.340 -5.229 1.00 0.00 O ATOM 340 CB THR A 23 7.352 -8.296 -5.424 1.00 0.00 C ATOM 341 OG1 THR A 23 7.434 -8.080 -4.012 1.00 0.00 O ATOM 342 CG2 THR A 23 8.239 -7.297 -6.153 1.00 0.00 C ATOM 0 H THR A 23 5.889 -6.312 -4.885 1.00 0.00 H new ATOM 0 HA THR A 23 5.877 -8.351 -6.960 1.00 0.00 H new ATOM 0 HB THR A 23 7.694 -9.306 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.026 -8.751 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.269 -7.412 -5.816 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.186 -7.479 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.898 -6.284 -5.939 1.00 0.00 H new ATOM 350 N PHE A 24 4.033 -8.539 -4.429 1.00 0.00 N ATOM 351 CA PHE A 24 3.040 -9.275 -3.660 1.00 0.00 C ATOM 352 C PHE A 24 2.005 -8.304 -3.105 1.00 0.00 C ATOM 353 O PHE A 24 2.306 -7.141 -2.853 1.00 0.00 O ATOM 354 CB PHE A 24 3.677 -10.058 -2.508 1.00 0.00 C ATOM 355 CG PHE A 24 2.672 -10.542 -1.490 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.031 -11.761 -1.653 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.349 -9.767 -0.381 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.095 -12.199 -0.734 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.411 -10.201 0.538 1.00 0.00 C ATOM 360 CZ PHE A 24 0.784 -11.416 0.362 1.00 0.00 C ATOM 0 H PHE A 24 3.926 -7.527 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 24 2.564 -9.993 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.215 -10.915 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.413 -9.426 -2.011 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.266 -12.376 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.837 -8.814 -0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.607 -13.153 -0.873 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.170 -9.588 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.051 -11.756 1.079 1.00 0.00 H new ATOM 370 N VAL A 25 0.783 -8.784 -2.946 1.00 0.00 N ATOM 371 CA VAL A 25 -0.302 -7.982 -2.399 1.00 0.00 C ATOM 372 C VAL A 25 -1.253 -8.874 -1.627 1.00 0.00 C ATOM 373 O VAL A 25 -1.735 -9.884 -2.135 1.00 0.00 O ATOM 374 CB VAL A 25 -1.092 -7.216 -3.486 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.874 -6.077 -2.872 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.178 -6.700 -4.581 1.00 0.00 C ATOM 0 H VAL A 25 0.514 -9.737 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 25 0.151 -7.239 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.791 -7.918 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.423 -5.550 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.576 -6.472 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.187 -5.386 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.768 -6.167 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.559 -6.023 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.333 -7.539 -5.054 1.00 0.00 H new ATOM 386 N ASP A 26 -1.490 -8.505 -0.386 1.00 0.00 N ATOM 387 CA ASP A 26 -2.377 -9.255 0.479 1.00 0.00 C ATOM 388 C ASP A 26 -3.832 -9.044 0.041 1.00 0.00 C ATOM 389 O ASP A 26 -4.248 -7.921 -0.233 1.00 0.00 O ATOM 390 CB ASP A 26 -2.123 -8.822 1.918 1.00 0.00 C ATOM 391 CG ASP A 26 -3.222 -9.238 2.873 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.395 -10.458 3.083 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.904 -8.347 3.417 1.00 0.00 O ATOM 0 H ASP A 26 -1.076 -7.681 0.050 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.184 -10.326 0.409 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.178 -9.247 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.015 -7.738 1.950 1.00 0.00 H new ATOM 398 N HIS A 27 -4.586 -10.142 -0.030 1.00 0.00 N ATOM 399 CA HIS A 27 -5.983 -10.128 -0.493 1.00 0.00 C ATOM 400 C HIS A 27 -6.863 -9.067 0.176 1.00 0.00 C ATOM 401 O HIS A 27 -7.971 -8.814 -0.290 1.00 0.00 O ATOM 402 CB HIS A 27 -6.605 -11.515 -0.322 1.00 0.00 C ATOM 403 CG HIS A 27 -6.881 -11.892 1.102 1.00 0.00 C ATOM 404 ND1 HIS A 27 -6.222 -11.586 2.244 1.00 0.00 N flip ATOM 405 CD2 HIS A 27 -7.939 -12.694 1.478 1.00 0.00 C flip ATOM 406 CE1 HIS A 27 -6.886 -12.200 3.275 1.00 0.00 C flip ATOM 407 NE2 HIS A 27 -7.919 -12.861 2.788 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.249 -11.069 0.231 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.944 -9.855 -1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.538 -11.554 -0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.937 -12.257 -0.760 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.387 -11.006 2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.670 -13.119 0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.608 -12.150 4.317 1.00 0.00 H new ATOM 416 N ARG A 28 -6.401 -8.456 1.258 1.00 0.00 N ATOM 417 CA ARG A 28 -7.192 -7.421 1.919 1.00 0.00 C ATOM 418 C ARG A 28 -7.327 -6.206 1.010 1.00 0.00 C ATOM 419 O ARG A 28 -8.285 -5.440 1.103 1.00 0.00 O ATOM 420 CB ARG A 28 -6.546 -7.009 3.236 1.00 0.00 C ATOM 421 CG ARG A 28 -6.828 -7.973 4.370 1.00 0.00 C ATOM 422 CD ARG A 28 -8.205 -7.736 4.970 1.00 0.00 C ATOM 423 NE ARG A 28 -8.423 -8.542 6.169 1.00 0.00 N ATOM 424 CZ ARG A 28 -9.587 -9.107 6.478 1.00 0.00 C ATOM 425 NH1 ARG A 28 -10.636 -8.952 5.683 1.00 0.00 N ATOM 426 NH2 ARG A 28 -9.701 -9.827 7.585 1.00 0.00 N ATOM 0 H ARG A 28 -5.499 -8.652 1.693 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.182 -7.827 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.468 -6.931 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.904 -6.018 3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.760 -8.997 4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.068 -7.860 5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.317 -6.680 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.969 -7.973 4.230 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.638 -8.679 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.553 -8.398 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.527 -9.387 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.896 -9.948 8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.594 -10.260 7.822 1.00 0.00 H new ATOM 440 N CYS A 29 -6.348 -6.059 0.129 1.00 0.00 N ATOM 441 CA CYS A 29 -6.274 -4.956 -0.811 1.00 0.00 C ATOM 442 C CYS A 29 -7.563 -4.734 -1.601 1.00 0.00 C ATOM 443 O CYS A 29 -7.831 -3.621 -2.032 1.00 0.00 O ATOM 444 CB CYS A 29 -5.129 -5.215 -1.776 1.00 0.00 C ATOM 445 SG CYS A 29 -5.354 -6.690 -2.789 1.00 0.00 S ATOM 0 H CYS A 29 -5.571 -6.715 0.048 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.111 -4.049 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.014 -4.350 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.203 -5.312 -1.209 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.268 -6.465 -3.686 1.00 0.00 H new ATOM 451 N VAL A 30 -8.355 -5.773 -1.821 1.00 0.00 N ATOM 452 CA VAL A 30 -9.588 -5.596 -2.582 1.00 0.00 C ATOM 453 C VAL A 30 -10.659 -4.930 -1.719 1.00 0.00 C ATOM 454 O VAL A 30 -11.502 -4.192 -2.217 1.00 0.00 O ATOM 455 CB VAL A 30 -10.113 -6.924 -3.178 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.116 -8.050 -2.970 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.460 -7.287 -2.593 1.00 0.00 C ATOM 0 H VAL A 30 -8.176 -6.723 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.353 -4.944 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.238 -6.778 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.512 -8.970 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.175 -7.798 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.944 -8.192 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.805 -8.224 -3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.369 -7.401 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.178 -6.497 -2.815 1.00 0.00 H new ATOM 467 N ALA A 31 -10.649 -5.218 -0.428 1.00 0.00 N ATOM 468 CA ALA A 31 -11.599 -4.601 0.483 1.00 0.00 C ATOM 469 C ALA A 31 -11.109 -3.212 0.865 1.00 0.00 C ATOM 470 O ALA A 31 -11.894 -2.315 1.172 1.00 0.00 O ATOM 471 CB ALA A 31 -11.781 -5.456 1.722 1.00 0.00 C ATOM 0 H ALA A 31 -9.999 -5.870 0.011 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.565 -4.516 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.496 -4.978 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.155 -6.439 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.824 -5.567 2.232 1.00 0.00 H new ATOM 477 N THR A 32 -9.792 -3.056 0.811 1.00 0.00 N ATOM 478 CA THR A 32 -9.123 -1.809 1.168 1.00 0.00 C ATOM 479 C THR A 32 -9.148 -0.781 0.043 1.00 0.00 C ATOM 480 O THR A 32 -9.662 0.324 0.210 1.00 0.00 O ATOM 481 CB THR A 32 -7.655 -2.098 1.508 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.560 -3.239 2.367 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.005 -0.908 2.174 1.00 0.00 C ATOM 0 H THR A 32 -9.153 -3.795 0.517 1.00 0.00 H new ATOM 0 HA THR A 32 -9.663 -1.397 2.020 1.00 0.00 H new ATOM 0 HB THR A 32 -7.131 -2.302 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.758 -4.051 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.965 -1.142 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.044 -0.049 1.504 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.536 -0.672 3.096 1.00 0.00 H new ATOM 491 N VAL A 33 -8.591 -1.155 -1.101 1.00 0.00 N ATOM 492 CA VAL A 33 -8.520 -0.265 -2.248 1.00 0.00 C ATOM 493 C VAL A 33 -9.296 -0.811 -3.435 1.00 0.00 C ATOM 494 O VAL A 33 -9.189 -0.302 -4.546 1.00 0.00 O ATOM 495 CB VAL A 33 -7.058 -0.020 -2.650 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.351 0.739 -1.544 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.356 -1.334 -2.917 1.00 0.00 C ATOM 0 H VAL A 33 -8.180 -2.075 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.976 0.680 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.034 0.572 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.313 0.913 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.849 1.695 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.382 0.155 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.321 -1.143 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.378 -1.948 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.863 -1.859 -3.726 1.00 0.00 H new ATOM 507 N GLY A 34 -10.060 -1.869 -3.195 1.00 0.00 N ATOM 508 CA GLY A 34 -10.870 -2.453 -4.261 1.00 0.00 C ATOM 509 C GLY A 34 -10.064 -3.303 -5.218 1.00 0.00 C ATOM 510 O GLY A 34 -10.574 -4.266 -5.790 1.00 0.00 O ATOM 0 H GLY A 34 -10.137 -2.334 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.658 -3.062 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.359 -1.654 -4.818 1.00 0.00 H new ATOM 514 N TYR A 35 -8.804 -2.942 -5.386 1.00 0.00 N ATOM 515 CA TYR A 35 -7.912 -3.650 -6.285 1.00 0.00 C ATOM 516 C TYR A 35 -7.497 -5.002 -5.740 1.00 0.00 C ATOM 517 O TYR A 35 -6.871 -5.091 -4.684 1.00 0.00 O ATOM 518 CB TYR A 35 -6.678 -2.802 -6.536 1.00 0.00 C ATOM 519 CG TYR A 35 -7.014 -1.526 -7.237 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.671 -1.547 -8.454 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.703 -0.306 -6.675 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.008 -0.387 -9.097 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.033 0.868 -7.310 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.688 0.826 -8.525 1.00 0.00 C ATOM 525 OH TYR A 35 -8.020 1.997 -9.168 1.00 0.00 O ATOM 0 H TYR A 35 -8.372 -2.153 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.451 -3.827 -7.216 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.192 -2.578 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.964 -3.368 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.922 -2.496 -8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.193 -0.272 -5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.521 -0.421 -10.047 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.781 1.818 -6.861 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.740 2.447 -8.678 1.00 0.00 H new ATOM 535 N GLN A 36 -7.855 -6.056 -6.462 1.00 0.00 N ATOM 536 CA GLN A 36 -7.481 -7.398 -6.073 1.00 0.00 C ATOM 537 C GLN A 36 -5.963 -7.469 -5.981 1.00 0.00 C ATOM 538 O GLN A 36 -5.278 -6.637 -6.574 1.00 0.00 O ATOM 539 CB GLN A 36 -7.990 -8.401 -7.110 1.00 0.00 C ATOM 540 CG GLN A 36 -9.469 -8.255 -7.420 1.00 0.00 C ATOM 541 CD GLN A 36 -9.976 -9.321 -8.372 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.475 -10.446 -8.385 1.00 0.00 O ATOM 543 NE2 GLN A 36 -10.972 -8.971 -9.176 1.00 0.00 N ATOM 0 H GLN A 36 -8.404 -6.001 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.923 -7.644 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.420 -8.279 -8.031 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.801 -9.412 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.037 -8.304 -6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.650 -7.271 -7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.356 -8.027 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.353 -9.646 -9.839 1.00 0.00 H new ATOM 552 N PRO A 37 -5.400 -8.423 -5.229 1.00 0.00 N ATOM 553 CA PRO A 37 -3.959 -8.535 -5.117 1.00 0.00 C ATOM 554 C PRO A 37 -3.291 -8.502 -6.481 1.00 0.00 C ATOM 555 O PRO A 37 -2.243 -7.888 -6.646 1.00 0.00 O ATOM 556 CB PRO A 37 -3.731 -9.875 -4.443 1.00 0.00 C ATOM 557 CG PRO A 37 -5.025 -10.293 -3.848 1.00 0.00 C ATOM 558 CD PRO A 37 -6.107 -9.428 -4.428 1.00 0.00 C ATOM 0 HA PRO A 37 -3.531 -7.705 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.383 -10.614 -5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.963 -9.793 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.221 -11.343 -4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.996 -10.190 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.792 -10.012 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.702 -8.960 -3.643 1.00 0.00 H new ATOM 566 N GLN A 38 -3.906 -9.170 -7.454 1.00 0.00 N ATOM 567 CA GLN A 38 -3.377 -9.191 -8.812 1.00 0.00 C ATOM 568 C GLN A 38 -3.576 -7.830 -9.469 1.00 0.00 C ATOM 569 O GLN A 38 -2.801 -7.421 -10.335 1.00 0.00 O ATOM 570 CB GLN A 38 -4.051 -10.282 -9.639 1.00 0.00 C ATOM 571 CG GLN A 38 -5.558 -10.252 -9.544 1.00 0.00 C ATOM 572 CD GLN A 38 -6.208 -11.506 -10.094 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.693 -12.130 -11.023 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.344 -11.884 -9.521 1.00 0.00 N ATOM 0 H GLN A 38 -4.767 -9.701 -7.327 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.310 -9.410 -8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.757 -10.173 -10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.691 -11.256 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.849 -10.125 -8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.934 -9.385 -10.087 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.735 -11.337 -8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.826 -12.722 -9.848 1.00 0.00 H new ATOM 583 N GLU A 39 -4.627 -7.136 -9.041 1.00 0.00 N ATOM 584 CA GLU A 39 -4.946 -5.810 -9.549 1.00 0.00 C ATOM 585 C GLU A 39 -3.908 -4.803 -9.066 1.00 0.00 C ATOM 586 O GLU A 39 -3.918 -3.639 -9.467 1.00 0.00 O ATOM 587 CB GLU A 39 -6.338 -5.399 -9.065 1.00 0.00 C ATOM 588 CG GLU A 39 -7.326 -5.131 -10.183 1.00 0.00 C ATOM 589 CD GLU A 39 -8.751 -5.480 -9.800 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.274 -4.878 -8.841 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.342 -6.364 -10.457 1.00 0.00 O ATOM 0 H GLU A 39 -5.278 -7.478 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.935 -5.830 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.735 -6.186 -8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.248 -4.503 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.276 -4.078 -10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.039 -5.708 -11.062 1.00 0.00 H new ATOM 598 N LEU A 40 -3.018 -5.270 -8.196 1.00 0.00 N ATOM 599 CA LEU A 40 -1.963 -4.438 -7.639 1.00 0.00 C ATOM 600 C LEU A 40 -0.594 -4.998 -8.009 1.00 0.00 C ATOM 601 O LEU A 40 0.352 -4.256 -8.264 1.00 0.00 O ATOM 602 CB LEU A 40 -2.097 -4.389 -6.117 1.00 0.00 C ATOM 603 CG LEU A 40 -2.814 -3.181 -5.504 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.242 -2.162 -6.551 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.009 -3.664 -4.709 1.00 0.00 C ATOM 0 H LEU A 40 -3.010 -6.233 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.057 -3.432 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.623 -5.289 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.095 -4.437 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.110 -2.670 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.745 -1.327 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.364 -1.796 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.924 -2.632 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.524 -2.809 -4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.692 -4.200 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.673 -4.331 -3.916 1.00 0.00 H new ATOM 617 N LEU A 41 -0.512 -6.319 -8.042 1.00 0.00 N ATOM 618 CA LEU A 41 0.726 -7.017 -8.358 1.00 0.00 C ATOM 619 C LEU A 41 1.309 -6.552 -9.684 1.00 0.00 C ATOM 620 O LEU A 41 0.616 -6.494 -10.700 1.00 0.00 O ATOM 621 CB LEU A 41 0.475 -8.527 -8.383 1.00 0.00 C ATOM 622 CG LEU A 41 0.577 -9.217 -7.022 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.418 -10.367 -6.913 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.997 -9.707 -6.787 1.00 0.00 C ATOM 0 H LEU A 41 -1.300 -6.937 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 41 1.456 -6.784 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.518 -8.709 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.191 -8.989 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 41 0.327 -8.489 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.323 -10.839 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.431 -9.984 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.212 -11.101 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.057 -10.196 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.271 -10.416 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.683 -8.860 -6.810 1.00 0.00 H new ATOM 636 N GLY A 42 2.594 -6.224 -9.657 1.00 0.00 N ATOM 637 CA GLY A 42 3.275 -5.762 -10.846 1.00 0.00 C ATOM 638 C GLY A 42 3.055 -4.286 -11.089 1.00 0.00 C ATOM 639 O GLY A 42 3.584 -3.718 -12.045 1.00 0.00 O ATOM 0 H GLY A 42 3.180 -6.271 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.343 -5.958 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.922 -6.328 -11.708 1.00 0.00 H new ATOM 643 N LYS A 43 2.269 -3.663 -10.218 1.00 0.00 N ATOM 644 CA LYS A 43 1.975 -2.246 -10.336 1.00 0.00 C ATOM 645 C LYS A 43 2.734 -1.444 -9.305 1.00 0.00 C ATOM 646 O LYS A 43 2.919 -1.877 -8.170 1.00 0.00 O ATOM 647 CB LYS A 43 0.488 -1.989 -10.147 1.00 0.00 C ATOM 648 CG LYS A 43 -0.385 -2.943 -10.917 1.00 0.00 C ATOM 649 CD LYS A 43 -1.721 -2.322 -11.265 1.00 0.00 C ATOM 650 CE LYS A 43 -2.405 -3.064 -12.401 1.00 0.00 C ATOM 651 NZ LYS A 43 -2.471 -4.530 -12.149 1.00 0.00 N ATOM 0 H LYS A 43 1.825 -4.121 -9.422 1.00 0.00 H new ATOM 0 HA LYS A 43 2.282 -1.936 -11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.246 -2.062 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.261 -0.969 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.125 -3.246 -11.832 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.546 -3.846 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.365 -2.328 -10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.576 -1.279 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.414 -2.673 -12.534 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.867 -2.880 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.412 -4.886 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.746 -5.013 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.301 -4.717 -11.140 1.00 0.00 H new ATOM 665 N ASN A 44 3.157 -0.266 -9.709 1.00 0.00 N ATOM 666 CA ASN A 44 3.874 0.622 -8.814 1.00 0.00 C ATOM 667 C ASN A 44 2.898 1.181 -7.791 1.00 0.00 C ATOM 668 O ASN A 44 1.944 1.872 -8.138 1.00 0.00 O ATOM 669 CB ASN A 44 4.532 1.755 -9.604 1.00 0.00 C ATOM 670 CG ASN A 44 5.666 2.413 -8.853 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.450 3.276 -8.005 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.884 2.019 -9.183 1.00 0.00 N ATOM 0 H ASN A 44 3.018 0.101 -10.651 1.00 0.00 H new ATOM 0 HA ASN A 44 4.661 0.069 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.908 1.362 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.780 2.506 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.696 2.435 -8.727 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.012 1.299 -9.894 1.00 0.00 H new ATOM 679 N ILE A 45 3.129 0.846 -6.533 1.00 0.00 N ATOM 680 CA ILE A 45 2.282 1.295 -5.445 1.00 0.00 C ATOM 681 C ILE A 45 2.019 2.797 -5.516 1.00 0.00 C ATOM 682 O ILE A 45 0.894 3.251 -5.304 1.00 0.00 O ATOM 683 CB ILE A 45 2.935 0.958 -4.099 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.036 1.363 -2.940 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.276 1.642 -4.000 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.611 1.021 -1.581 1.00 0.00 C ATOM 0 H ILE A 45 3.908 0.256 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 45 1.327 0.777 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 45 3.082 -0.121 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.855 2.437 -2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.070 0.871 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.738 1.401 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.920 1.299 -4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.141 2.721 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.917 1.338 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.766 -0.056 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.564 1.534 -1.449 1.00 0.00 H new ATOM 698 N VAL A 46 3.058 3.565 -5.829 1.00 0.00 N ATOM 699 CA VAL A 46 2.932 5.011 -5.905 1.00 0.00 C ATOM 700 C VAL A 46 2.099 5.435 -7.112 1.00 0.00 C ATOM 701 O VAL A 46 1.494 6.505 -7.101 1.00 0.00 O ATOM 702 CB VAL A 46 4.297 5.735 -5.884 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.385 4.804 -5.387 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.647 6.336 -7.237 1.00 0.00 C ATOM 0 H VAL A 46 3.992 3.209 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 46 2.404 5.320 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 46 4.219 6.569 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.339 5.331 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.146 4.471 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.454 3.939 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.614 6.835 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.694 5.545 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.884 7.060 -7.522 1.00 0.00 H new ATOM 714 N GLU A 47 2.101 4.620 -8.170 1.00 0.00 N ATOM 715 CA GLU A 47 1.304 4.933 -9.353 1.00 0.00 C ATOM 716 C GLU A 47 -0.135 5.201 -8.940 1.00 0.00 C ATOM 717 O GLU A 47 -0.846 5.977 -9.578 1.00 0.00 O ATOM 718 CB GLU A 47 1.355 3.797 -10.376 1.00 0.00 C ATOM 719 CG GLU A 47 2.446 3.965 -11.421 1.00 0.00 C ATOM 720 CD GLU A 47 2.394 2.896 -12.494 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.990 1.818 -12.287 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.757 3.136 -13.540 1.00 0.00 O ATOM 0 H GLU A 47 2.636 3.754 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 47 1.722 5.823 -9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.509 2.854 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.390 3.729 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.351 4.946 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.420 3.937 -10.932 1.00 0.00 H new ATOM 729 N PHE A 48 -0.556 4.548 -7.861 1.00 0.00 N ATOM 730 CA PHE A 48 -1.896 4.738 -7.324 1.00 0.00 C ATOM 731 C PHE A 48 -1.866 5.902 -6.359 1.00 0.00 C ATOM 732 O PHE A 48 -2.821 6.668 -6.244 1.00 0.00 O ATOM 733 CB PHE A 48 -2.379 3.488 -6.597 1.00 0.00 C ATOM 734 CG PHE A 48 -2.484 2.285 -7.476 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.375 1.496 -7.722 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.695 1.941 -8.051 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.477 0.375 -8.533 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.800 0.829 -8.858 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.691 0.049 -9.097 1.00 0.00 C ATOM 0 H PHE A 48 0.015 3.881 -7.341 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.583 4.937 -8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.696 3.269 -5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.354 3.690 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.424 1.754 -7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.567 2.551 -7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.609 -0.239 -8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.750 0.570 -9.302 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.773 -0.823 -9.730 1.00 0.00 H new ATOM 749 N CYS A 49 -0.743 6.011 -5.665 1.00 0.00 N ATOM 750 CA CYS A 49 -0.528 7.084 -4.701 1.00 0.00 C ATOM 751 C CYS A 49 -0.678 8.443 -5.368 1.00 0.00 C ATOM 752 O CYS A 49 -0.342 8.605 -6.540 1.00 0.00 O ATOM 753 CB CYS A 49 0.874 6.980 -4.100 1.00 0.00 C ATOM 754 SG CYS A 49 1.333 8.376 -3.048 1.00 0.00 S ATOM 0 H CYS A 49 0.041 5.364 -5.752 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.276 6.984 -3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.940 6.062 -3.516 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.599 6.895 -4.909 1.00 0.00 H new ATOM 0 HG CYS A 49 1.206 9.484 -3.717 1.00 0.00 H new ATOM 760 N HIS A 50 -1.191 9.418 -4.624 1.00 0.00 N ATOM 761 CA HIS A 50 -1.344 10.762 -5.156 1.00 0.00 C ATOM 762 C HIS A 50 0.030 11.291 -5.556 1.00 0.00 C ATOM 763 O HIS A 50 0.983 11.135 -4.800 1.00 0.00 O ATOM 764 CB HIS A 50 -1.991 11.683 -4.118 1.00 0.00 C ATOM 765 CG HIS A 50 -2.407 13.014 -4.664 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.513 13.930 -5.179 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.632 13.583 -4.777 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.168 15.003 -5.584 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.455 14.818 -5.352 1.00 0.00 N ATOM 0 H HIS A 50 -1.504 9.302 -3.660 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.996 10.736 -6.029 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.865 11.184 -3.698 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.290 11.840 -3.299 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.572 13.147 -4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.726 15.882 -6.029 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.197 15.484 -5.565 1.00 0.00 H new ATOM 778 N PRO A 51 0.159 11.906 -6.745 1.00 0.00 N ATOM 779 CA PRO A 51 1.441 12.418 -7.238 1.00 0.00 C ATOM 780 C PRO A 51 2.246 13.177 -6.186 1.00 0.00 C ATOM 781 O PRO A 51 3.372 12.796 -5.864 1.00 0.00 O ATOM 782 CB PRO A 51 1.020 13.343 -8.373 1.00 0.00 C ATOM 783 CG PRO A 51 -0.215 12.713 -8.906 1.00 0.00 C ATOM 784 CD PRO A 51 -0.930 12.168 -7.705 1.00 0.00 C ATOM 0 HA PRO A 51 2.108 11.610 -7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.830 14.355 -8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.794 13.416 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.831 13.440 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.022 11.921 -9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.651 12.883 -7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.481 11.259 -7.945 1.00 0.00 H new ATOM 792 N GLU A 52 1.668 14.248 -5.654 1.00 0.00 N ATOM 793 CA GLU A 52 2.337 15.066 -4.649 1.00 0.00 C ATOM 794 C GLU A 52 2.760 14.237 -3.437 1.00 0.00 C ATOM 795 O GLU A 52 3.630 14.647 -2.669 1.00 0.00 O ATOM 796 CB GLU A 52 1.412 16.197 -4.207 1.00 0.00 C ATOM 797 CG GLU A 52 1.024 17.141 -5.334 1.00 0.00 C ATOM 798 CD GLU A 52 0.095 18.248 -4.875 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.133 18.022 -4.851 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.596 19.341 -4.538 1.00 0.00 O ATOM 0 H GLU A 52 0.733 14.571 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 52 3.239 15.481 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.507 15.768 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.901 16.768 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.925 17.582 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.541 16.573 -6.129 1.00 0.00 H new ATOM 807 N ASP A 53 2.143 13.073 -3.273 1.00 0.00 N ATOM 808 CA ASP A 53 2.448 12.195 -2.149 1.00 0.00 C ATOM 809 C ASP A 53 3.392 11.057 -2.533 1.00 0.00 C ATOM 810 O ASP A 53 4.009 10.449 -1.658 1.00 0.00 O ATOM 811 CB ASP A 53 1.159 11.609 -1.575 1.00 0.00 C ATOM 812 CG ASP A 53 0.278 12.660 -0.929 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.447 12.916 0.282 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.582 13.229 -1.635 1.00 0.00 O ATOM 0 H ASP A 53 1.427 12.714 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 53 2.952 12.805 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.603 11.114 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.408 10.846 -0.838 1.00 0.00 H new ATOM 819 N GLN A 54 3.508 10.757 -3.826 1.00 0.00 N ATOM 820 CA GLN A 54 4.378 9.679 -4.262 1.00 0.00 C ATOM 821 C GLN A 54 5.809 9.936 -3.821 1.00 0.00 C ATOM 822 O GLN A 54 6.539 9.010 -3.488 1.00 0.00 O ATOM 823 CB GLN A 54 4.327 9.503 -5.775 1.00 0.00 C ATOM 824 CG GLN A 54 2.929 9.505 -6.350 1.00 0.00 C ATOM 825 CD GLN A 54 2.920 9.388 -7.861 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.837 9.854 -8.536 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.880 8.768 -8.400 1.00 0.00 N ATOM 0 H GLN A 54 3.016 11.241 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 54 4.021 8.760 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.902 10.303 -6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.815 8.564 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.363 8.678 -5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.421 10.424 -6.057 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.142 8.397 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.818 8.662 -9.413 1.00 0.00 H new ATOM 836 N GLN A 55 6.206 11.202 -3.826 1.00 0.00 N ATOM 837 CA GLN A 55 7.553 11.571 -3.418 1.00 0.00 C ATOM 838 C GLN A 55 7.807 11.137 -1.980 1.00 0.00 C ATOM 839 O GLN A 55 8.926 10.782 -1.610 1.00 0.00 O ATOM 840 CB GLN A 55 7.759 13.079 -3.551 1.00 0.00 C ATOM 841 CG GLN A 55 9.188 13.522 -3.282 1.00 0.00 C ATOM 842 CD GLN A 55 10.181 12.909 -4.249 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.452 13.464 -5.313 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.729 11.757 -3.881 1.00 0.00 N ATOM 0 H GLN A 55 5.617 11.986 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 55 8.261 11.062 -4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.474 13.389 -4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.092 13.591 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.246 14.608 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.463 13.249 -2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.474 11.333 -2.989 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.405 11.296 -4.490 1.00 0.00 H new ATOM 853 N LEU A 56 6.749 11.163 -1.182 1.00 0.00 N ATOM 854 CA LEU A 56 6.814 10.781 0.212 1.00 0.00 C ATOM 855 C LEU A 56 6.783 9.268 0.344 1.00 0.00 C ATOM 856 O LEU A 56 7.482 8.688 1.175 1.00 0.00 O ATOM 857 CB LEU A 56 5.639 11.410 0.962 1.00 0.00 C ATOM 858 CG LEU A 56 5.277 10.758 2.292 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.677 11.648 3.457 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.787 10.452 2.327 1.00 0.00 C ATOM 0 H LEU A 56 5.820 11.452 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 56 7.748 11.140 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.868 12.460 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.762 11.383 0.315 1.00 0.00 H new ATOM 0 HG LEU A 56 5.828 9.823 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.409 11.162 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.753 11.819 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.156 12.603 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.533 9.986 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.223 11.378 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.536 9.772 1.513 1.00 0.00 H new ATOM 872 N LEU A 57 5.965 8.639 -0.486 1.00 0.00 N ATOM 873 CA LEU A 57 5.840 7.194 -0.477 1.00 0.00 C ATOM 874 C LEU A 57 7.166 6.559 -0.859 1.00 0.00 C ATOM 875 O LEU A 57 7.729 5.758 -0.112 1.00 0.00 O ATOM 876 CB LEU A 57 4.746 6.758 -1.449 1.00 0.00 C ATOM 877 CG LEU A 57 4.374 5.280 -1.376 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.984 4.907 0.041 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.245 4.964 -2.347 1.00 0.00 C ATOM 0 H LEU A 57 5.378 9.110 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 57 5.568 6.866 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.853 7.352 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.070 6.986 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 57 5.243 4.687 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.721 3.850 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.822 5.097 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.128 5.506 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.994 3.905 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.369 5.562 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.563 5.198 -3.363 1.00 0.00 H new ATOM 891 N ARG A 58 7.649 6.925 -2.037 1.00 0.00 N ATOM 892 CA ARG A 58 8.924 6.433 -2.531 1.00 0.00 C ATOM 893 C ARG A 58 10.019 6.740 -1.522 1.00 0.00 C ATOM 894 O ARG A 58 10.913 5.927 -1.301 1.00 0.00 O ATOM 895 CB ARG A 58 9.258 7.080 -3.878 1.00 0.00 C ATOM 896 CG ARG A 58 8.165 6.915 -4.922 1.00 0.00 C ATOM 897 CD ARG A 58 8.462 7.736 -6.167 1.00 0.00 C ATOM 898 NE ARG A 58 7.266 7.978 -6.966 1.00 0.00 N ATOM 899 CZ ARG A 58 7.294 8.426 -8.217 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.455 8.691 -8.804 1.00 0.00 N ATOM 901 NH2 ARG A 58 6.164 8.611 -8.884 1.00 0.00 N ATOM 0 H ARG A 58 7.172 7.566 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 58 8.856 5.354 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.444 8.143 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.182 6.646 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.072 5.863 -5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.208 7.222 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.901 8.690 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.204 7.217 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 58 6.357 7.793 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.328 8.551 -8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.474 9.035 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.269 8.409 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.189 8.955 -9.844 1.00 0.00 H new ATOM 915 N ASP A 59 9.934 7.921 -0.909 1.00 0.00 N ATOM 916 CA ASP A 59 10.913 8.332 0.094 1.00 0.00 C ATOM 917 C ASP A 59 11.009 7.284 1.174 1.00 0.00 C ATOM 918 O ASP A 59 12.103 6.865 1.553 1.00 0.00 O ATOM 919 CB ASP A 59 10.532 9.677 0.704 1.00 0.00 C ATOM 920 CG ASP A 59 11.535 10.149 1.738 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.384 9.784 2.922 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.473 10.883 1.362 1.00 0.00 O ATOM 0 H ASP A 59 9.200 8.606 -1.089 1.00 0.00 H new ATOM 0 HA ASP A 59 11.883 8.439 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.453 10.422 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.548 9.597 1.166 1.00 0.00 H new ATOM 927 N SER A 60 9.857 6.868 1.671 1.00 0.00 N ATOM 928 CA SER A 60 9.813 5.840 2.692 1.00 0.00 C ATOM 929 C SER A 60 10.617 4.633 2.238 1.00 0.00 C ATOM 930 O SER A 60 11.563 4.227 2.903 1.00 0.00 O ATOM 931 CB SER A 60 8.367 5.440 2.989 1.00 0.00 C ATOM 932 OG SER A 60 8.268 4.058 3.281 1.00 0.00 O ATOM 0 H SER A 60 8.945 7.225 1.385 1.00 0.00 H new ATOM 0 HA SER A 60 10.251 6.233 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.992 6.020 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.737 5.679 2.132 1.00 0.00 H new ATOM 0 HG SER A 60 7.336 3.770 3.190 1.00 0.00 H new ATOM 938 N PHE A 61 10.256 4.087 1.083 1.00 0.00 N ATOM 939 CA PHE A 61 10.949 2.928 0.538 1.00 0.00 C ATOM 940 C PHE A 61 12.441 3.186 0.438 1.00 0.00 C ATOM 941 O PHE A 61 13.247 2.282 0.649 1.00 0.00 O ATOM 942 CB PHE A 61 10.392 2.575 -0.840 1.00 0.00 C ATOM 943 CG PHE A 61 8.895 2.446 -0.858 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.218 1.908 0.228 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.163 2.865 -1.956 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.844 1.792 0.219 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.787 2.749 -1.972 1.00 0.00 C ATOM 948 CZ PHE A 61 6.126 2.214 -0.882 1.00 0.00 C ATOM 0 H PHE A 61 9.487 4.429 0.506 1.00 0.00 H new ATOM 0 HA PHE A 61 10.786 2.090 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.693 3.342 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.835 1.637 -1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.775 1.576 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.674 3.287 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.331 1.372 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.227 3.076 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.050 2.126 -0.892 1.00 0.00 H new ATOM 958 N GLN A 62 12.806 4.424 0.125 1.00 0.00 N ATOM 959 CA GLN A 62 14.208 4.782 0.001 1.00 0.00 C ATOM 960 C GLN A 62 14.874 4.719 1.363 1.00 0.00 C ATOM 961 O GLN A 62 16.058 4.424 1.474 1.00 0.00 O ATOM 962 CB GLN A 62 14.358 6.184 -0.591 1.00 0.00 C ATOM 963 CG GLN A 62 13.712 6.340 -1.957 1.00 0.00 C ATOM 964 CD GLN A 62 14.722 6.545 -3.071 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.835 7.198 -2.756 1.00 0.00 O flip ATOM 966 NE2 GLN A 62 14.501 6.126 -4.208 1.00 0.00 N flip ATOM 0 H GLN A 62 12.154 5.189 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 62 14.691 4.073 -0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.917 6.908 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.418 6.424 -0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.115 5.454 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.027 7.188 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.633 5.629 -4.409 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.186 6.276 -4.949 1.00 0.00 H new ATOM 975 N GLN A 63 14.092 4.988 2.396 1.00 0.00 N ATOM 976 CA GLN A 63 14.588 4.976 3.757 1.00 0.00 C ATOM 977 C GLN A 63 14.662 3.557 4.328 1.00 0.00 C ATOM 978 O GLN A 63 15.638 3.202 4.986 1.00 0.00 O ATOM 979 CB GLN A 63 13.684 5.847 4.615 1.00 0.00 C ATOM 980 CG GLN A 63 13.702 7.316 4.220 1.00 0.00 C ATOM 981 CD GLN A 63 15.038 7.971 4.505 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.956 7.880 3.553 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.245 8.545 5.574 1.00 0.00 N flip ATOM 0 H GLN A 63 13.102 5.219 2.313 1.00 0.00 H new ATOM 0 HA GLN A 63 15.604 5.371 3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.662 5.473 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.988 5.756 5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.474 7.407 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.918 7.845 4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.509 8.591 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.152 8.975 5.755 1.00 0.00 H new ATOM 992 N VAL A 64 13.633 2.749 4.079 1.00 0.00 N ATOM 993 CA VAL A 64 13.607 1.372 4.585 1.00 0.00 C ATOM 994 C VAL A 64 14.720 0.557 3.954 1.00 0.00 C ATOM 995 O VAL A 64 15.303 -0.325 4.584 1.00 0.00 O ATOM 996 CB VAL A 64 12.249 0.650 4.322 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.153 1.635 3.966 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.372 -0.407 3.228 1.00 0.00 C ATOM 0 H VAL A 64 12.812 3.017 3.536 1.00 0.00 H new ATOM 0 HA VAL A 64 13.745 1.443 5.664 1.00 0.00 H new ATOM 0 HB VAL A 64 11.978 0.151 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.222 1.096 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.015 2.338 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.433 2.180 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.405 -0.887 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.693 0.066 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.105 -1.156 3.527 1.00 0.00 H new ATOM 1008 N VAL A 65 15.003 0.870 2.704 1.00 0.00 N ATOM 1009 CA VAL A 65 16.015 0.171 1.949 1.00 0.00 C ATOM 1010 C VAL A 65 17.409 0.674 2.304 1.00 0.00 C ATOM 1011 O VAL A 65 18.384 -0.077 2.259 1.00 0.00 O ATOM 1012 CB VAL A 65 15.755 0.328 0.444 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.083 1.738 -0.019 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.528 -0.707 -0.341 1.00 0.00 C ATOM 0 H VAL A 65 14.536 1.616 2.187 1.00 0.00 H new ATOM 0 HA VAL A 65 15.964 -0.887 2.208 1.00 0.00 H new ATOM 0 HB VAL A 65 14.694 0.161 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.891 1.824 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.460 2.452 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.134 1.951 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.330 -0.579 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.595 -0.585 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.217 -1.705 -0.032 1.00 0.00 H new ATOM 1024 N LYS A 66 17.491 1.951 2.658 1.00 0.00 N ATOM 1025 CA LYS A 66 18.755 2.560 3.048 1.00 0.00 C ATOM 1026 C LYS A 66 19.176 2.061 4.419 1.00 0.00 C ATOM 1027 O LYS A 66 20.347 1.772 4.668 1.00 0.00 O ATOM 1028 CB LYS A 66 18.613 4.080 3.098 1.00 0.00 C ATOM 1029 CG LYS A 66 18.844 4.764 1.762 1.00 0.00 C ATOM 1030 CD LYS A 66 18.548 6.256 1.835 1.00 0.00 C ATOM 1031 CE LYS A 66 19.487 6.974 2.795 1.00 0.00 C ATOM 1032 NZ LYS A 66 20.908 6.872 2.363 1.00 0.00 N ATOM 0 H LYS A 66 16.693 2.586 2.683 1.00 0.00 H new ATOM 0 HA LYS A 66 19.510 2.286 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.614 4.330 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.321 4.477 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.877 4.613 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.211 4.304 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.641 6.694 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.517 6.407 2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.203 8.024 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.380 6.549 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.485 7.546 2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.254 5.906 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.979 7.093 1.349 1.00 0.00 H new ATOM 1046 N LEU A 67 18.193 1.964 5.301 1.00 0.00 N ATOM 1047 CA LEU A 67 18.412 1.524 6.668 1.00 0.00 C ATOM 1048 C LEU A 67 18.200 0.021 6.788 1.00 0.00 C ATOM 1049 O LEU A 67 18.272 -0.549 7.877 1.00 0.00 O ATOM 1050 CB LEU A 67 17.465 2.293 7.579 1.00 0.00 C ATOM 1051 CG LEU A 67 17.462 3.805 7.333 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.433 4.498 8.210 1.00 0.00 C ATOM 1053 CD2 LEU A 67 18.848 4.381 7.575 1.00 0.00 C ATOM 0 H LEU A 67 17.221 2.188 5.088 1.00 0.00 H new ATOM 0 HA LEU A 67 19.441 1.726 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.454 1.910 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.740 2.104 8.617 1.00 0.00 H new ATOM 0 HG LEU A 67 17.188 3.981 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.452 5.570 8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.441 4.106 7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.667 4.316 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.831 5.456 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.147 4.189 8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.561 3.912 6.897 1.00 0.00 H new ATOM 1065 N LYS A 68 17.953 -0.597 5.639 1.00 0.00 N ATOM 1066 CA LYS A 68 17.741 -2.040 5.530 1.00 0.00 C ATOM 1067 C LYS A 68 17.045 -2.638 6.749 1.00 0.00 C ATOM 1068 O LYS A 68 17.693 -3.155 7.661 1.00 0.00 O ATOM 1069 CB LYS A 68 19.075 -2.735 5.310 1.00 0.00 C ATOM 1070 CG LYS A 68 19.443 -2.904 3.851 1.00 0.00 C ATOM 1071 CD LYS A 68 18.533 -3.906 3.158 1.00 0.00 C ATOM 1072 CE LYS A 68 17.795 -3.272 1.989 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.899 -4.245 1.303 1.00 0.00 N ATOM 0 H LYS A 68 17.893 -0.108 4.746 1.00 0.00 H new ATOM 0 HA LYS A 68 17.079 -2.201 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.858 -2.164 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.045 -3.716 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.378 -1.941 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.478 -3.236 3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.124 -4.750 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.812 -4.301 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.207 -2.427 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.518 -2.878 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.039 -4.180 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.124 -5.209 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.908 -4.026 1.532 1.00 0.00 H new ATOM 1087 N GLY A 69 15.725 -2.563 6.748 1.00 0.00 N ATOM 1088 CA GLY A 69 14.939 -3.120 7.835 1.00 0.00 C ATOM 1089 C GLY A 69 14.101 -2.084 8.551 1.00 0.00 C ATOM 1090 O GLY A 69 12.940 -2.335 8.875 1.00 0.00 O ATOM 0 H GLY A 69 15.177 -2.123 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.286 -3.899 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.607 -3.597 8.552 1.00 0.00 H new ATOM 1094 N GLN A 70 14.690 -0.922 8.805 1.00 0.00 N ATOM 1095 CA GLN A 70 13.986 0.159 9.485 1.00 0.00 C ATOM 1096 C GLN A 70 12.652 0.438 8.803 1.00 0.00 C ATOM 1097 O GLN A 70 12.600 0.668 7.595 1.00 0.00 O ATOM 1098 CB GLN A 70 14.845 1.418 9.485 1.00 0.00 C ATOM 1099 CG GLN A 70 14.290 2.539 10.343 1.00 0.00 C ATOM 1100 CD GLN A 70 14.219 2.168 11.812 1.00 0.00 C ATOM 1101 OE1 GLN A 70 15.033 1.388 12.307 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.241 2.725 12.518 1.00 0.00 N ATOM 0 H GLN A 70 15.653 -0.704 8.551 1.00 0.00 H new ATOM 0 HA GLN A 70 13.793 -0.143 10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.845 1.164 9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.949 1.775 8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.914 3.425 10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.293 2.802 9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.588 3.366 12.067 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.143 2.511 13.511 1.00 0.00 H new ATOM 1111 N VAL A 71 11.576 0.416 9.581 1.00 0.00 N ATOM 1112 CA VAL A 71 10.248 0.652 9.044 1.00 0.00 C ATOM 1113 C VAL A 71 9.963 2.138 8.872 1.00 0.00 C ATOM 1114 O VAL A 71 10.370 2.969 9.685 1.00 0.00 O ATOM 1115 CB VAL A 71 9.169 0.038 9.946 1.00 0.00 C ATOM 1116 CG1 VAL A 71 7.845 -0.056 9.201 1.00 0.00 C ATOM 1117 CG2 VAL A 71 9.612 -1.325 10.454 1.00 0.00 C ATOM 0 H VAL A 71 11.601 0.237 10.585 1.00 0.00 H new ATOM 0 HA VAL A 71 10.220 0.173 8.065 1.00 0.00 H new ATOM 0 HB VAL A 71 9.024 0.687 10.810 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.090 -0.494 9.854 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.527 0.941 8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.968 -0.683 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.835 -1.746 11.092 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.786 -1.990 9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.533 -1.218 11.027 1.00 0.00 H new ATOM 1127 N LEU A 72 9.257 2.449 7.798 1.00 0.00 N ATOM 1128 CA LEU A 72 8.886 3.808 7.461 1.00 0.00 C ATOM 1129 C LEU A 72 7.381 3.987 7.558 1.00 0.00 C ATOM 1130 O LEU A 72 6.618 3.070 7.248 1.00 0.00 O ATOM 1131 CB LEU A 72 9.335 4.112 6.035 1.00 0.00 C ATOM 1132 CG LEU A 72 10.759 4.637 5.878 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.810 6.113 6.203 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.735 3.858 6.749 1.00 0.00 C ATOM 0 H LEU A 72 8.923 1.755 7.129 1.00 0.00 H new ATOM 0 HA LEU A 72 9.369 4.489 8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.238 3.202 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.650 4.845 5.608 1.00 0.00 H new ATOM 0 HG LEU A 72 11.061 4.497 4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.831 6.476 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.152 6.658 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.483 6.271 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.741 4.256 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.444 3.952 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.720 2.807 6.462 1.00 0.00 H new ATOM 1146 N SER A 73 6.954 5.163 7.989 1.00 0.00 N ATOM 1147 CA SER A 73 5.534 5.451 8.100 1.00 0.00 C ATOM 1148 C SER A 73 5.195 6.710 7.332 1.00 0.00 C ATOM 1149 O SER A 73 5.624 7.807 7.687 1.00 0.00 O ATOM 1150 CB SER A 73 5.119 5.609 9.558 1.00 0.00 C ATOM 1151 OG SER A 73 3.726 5.399 9.717 1.00 0.00 O ATOM 0 H SER A 73 7.567 5.930 8.266 1.00 0.00 H new ATOM 0 HA SER A 73 4.986 4.610 7.675 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.670 4.899 10.175 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.382 6.607 9.908 1.00 0.00 H new ATOM 0 HG SER A 73 3.485 5.504 10.661 1.00 0.00 H new ATOM 1157 N VAL A 74 4.419 6.541 6.277 1.00 0.00 N ATOM 1158 CA VAL A 74 4.022 7.675 5.444 1.00 0.00 C ATOM 1159 C VAL A 74 2.555 7.591 5.058 1.00 0.00 C ATOM 1160 O VAL A 74 2.061 6.525 4.691 1.00 0.00 O ATOM 1161 CB VAL A 74 4.863 7.765 4.149 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.341 7.922 4.465 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.623 6.550 3.274 1.00 0.00 C ATOM 0 H VAL A 74 4.051 5.640 5.974 1.00 0.00 H new ATOM 0 HA VAL A 74 4.196 8.567 6.046 1.00 0.00 H new ATOM 0 HB VAL A 74 4.546 8.652 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.907 7.983 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.495 8.833 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.683 7.063 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.223 6.630 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.906 5.649 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.568 6.497 3.007 1.00 0.00 H new ATOM 1173 N MET A 75 1.853 8.714 5.142 1.00 0.00 N ATOM 1174 CA MET A 75 0.453 8.735 4.762 1.00 0.00 C ATOM 1175 C MET A 75 0.304 9.273 3.361 1.00 0.00 C ATOM 1176 O MET A 75 0.832 10.334 3.026 1.00 0.00 O ATOM 1177 CB MET A 75 -0.398 9.572 5.702 1.00 0.00 C ATOM 1178 CG MET A 75 -0.766 8.873 6.989 1.00 0.00 C ATOM 1179 SD MET A 75 -2.439 9.266 7.521 1.00 0.00 S ATOM 1180 CE MET A 75 -3.375 8.418 6.253 1.00 0.00 C ATOM 0 H MET A 75 2.226 9.607 5.465 1.00 0.00 H new ATOM 0 HA MET A 75 0.100 7.705 4.818 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.139 10.490 5.941 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.312 9.863 5.185 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.673 7.795 6.855 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.062 9.159 7.770 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.300 8.961 6.059 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.785 8.367 5.338 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.611 7.408 6.589 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.423 8.540 2.549 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.646 8.950 1.171 1.00 0.00 C ATOM 1192 C PHE A 76 -2.059 8.626 0.707 1.00 0.00 C ATOM 1193 O PHE A 76 -2.761 7.824 1.317 1.00 0.00 O ATOM 1194 CB PHE A 76 0.362 8.266 0.254 1.00 0.00 C ATOM 1195 CG PHE A 76 0.037 6.826 -0.007 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.328 5.849 0.931 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.568 6.450 -1.192 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.022 4.531 0.686 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.874 5.130 -1.438 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.577 4.169 -0.495 1.00 0.00 C ATOM 0 H PHE A 76 -0.870 7.661 2.811 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.515 10.031 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.402 8.801 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.354 8.333 0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.799 6.125 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.803 7.200 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.254 3.778 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.346 4.848 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.815 3.133 -0.685 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.456 9.257 -0.387 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.777 9.045 -0.964 1.00 0.00 C ATOM 1212 C ARG A 77 -3.730 7.965 -2.043 1.00 0.00 C ATOM 1213 O ARG A 77 -3.216 8.187 -3.139 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.306 10.360 -1.542 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.744 11.347 -0.472 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.358 12.775 -0.824 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.133 13.302 -1.944 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.350 14.600 -2.140 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -4.854 15.493 -1.294 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.060 15.007 -3.182 1.00 0.00 N ATOM 0 H ARG A 77 -1.878 9.925 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.452 8.706 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.530 10.819 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.149 10.148 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.824 11.285 -0.342 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.292 11.073 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.504 13.413 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.297 12.811 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.529 12.640 -2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.305 15.185 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.022 16.488 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.442 14.325 -3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.225 16.003 -3.329 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.263 6.788 -1.717 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.284 5.663 -2.648 1.00 0.00 C ATOM 1236 C PHE A 78 -5.537 5.683 -3.513 1.00 0.00 C ATOM 1237 O PHE A 78 -6.627 5.373 -3.034 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.242 4.328 -1.883 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.880 3.140 -2.745 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.753 2.665 -3.716 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.660 2.502 -2.591 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.410 1.579 -4.507 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.314 1.423 -3.379 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.189 0.960 -4.336 1.00 0.00 C ATOM 0 H PHE A 78 -4.687 6.590 -0.811 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.405 5.757 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.520 4.409 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.216 4.151 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.709 3.147 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.968 2.855 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.098 1.218 -5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.357 0.942 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.920 0.114 -4.951 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.391 6.046 -4.783 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.530 6.041 -5.684 1.00 0.00 C ATOM 1256 C ARG A 79 -7.011 4.606 -5.806 1.00 0.00 C ATOM 1257 O ARG A 79 -6.369 3.783 -6.457 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.141 6.612 -7.052 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.267 6.591 -8.074 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.369 5.241 -8.751 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.145 5.301 -9.987 1.00 0.00 N ATOM 1262 CZ ARG A 79 -7.823 4.640 -11.094 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.746 3.867 -11.122 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.579 4.752 -12.178 1.00 0.00 N ATOM 0 H ARG A 79 -4.510 6.342 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.329 6.671 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.801 7.640 -6.922 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.297 6.044 -7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.211 6.826 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.096 7.364 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.368 4.870 -8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.831 4.528 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.982 5.884 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.161 3.778 -10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.503 3.362 -11.974 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.408 5.346 -12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.331 4.244 -13.027 1.00 0.00 H new ATOM 1278 N SER A 80 -8.127 4.305 -5.160 1.00 0.00 N ATOM 1279 CA SER A 80 -8.656 2.958 -5.155 1.00 0.00 C ATOM 1280 C SER A 80 -9.431 2.609 -6.410 1.00 0.00 C ATOM 1281 O SER A 80 -9.451 3.356 -7.386 1.00 0.00 O ATOM 1282 CB SER A 80 -9.555 2.763 -3.948 1.00 0.00 C ATOM 1283 OG SER A 80 -10.848 3.294 -4.179 1.00 0.00 O ATOM 0 H SER A 80 -8.682 4.979 -4.633 1.00 0.00 H new ATOM 0 HA SER A 80 -7.795 2.291 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.632 1.701 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.110 3.247 -3.079 1.00 0.00 H new ATOM 0 HG SER A 80 -11.524 2.654 -3.873 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.071 1.451 -6.352 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.860 0.940 -7.455 1.00 0.00 C ATOM 1291 C LYS A 81 -12.044 1.859 -7.722 1.00 0.00 C ATOM 1292 O LYS A 81 -12.576 1.902 -8.831 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.330 -0.481 -7.154 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.806 -1.191 -8.391 1.00 0.00 C ATOM 1295 CD LYS A 81 -10.909 -2.359 -8.723 1.00 0.00 C ATOM 1296 CE LYS A 81 -10.985 -2.703 -10.192 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.195 -1.756 -11.028 1.00 0.00 N ATOM 0 H LYS A 81 -10.056 0.840 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.240 0.911 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.513 -1.045 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.137 -0.449 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.827 -1.543 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.827 -0.494 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.880 -2.119 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.199 -3.225 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.617 -3.717 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.026 -2.689 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.505 -1.826 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.343 -0.785 -10.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.185 -1.995 -10.964 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.446 2.597 -6.692 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.550 3.537 -6.807 1.00 0.00 C ATOM 1313 C ASN A 82 -13.029 4.901 -7.236 1.00 0.00 C ATOM 1314 O ASN A 82 -13.764 5.890 -7.256 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.296 3.659 -5.481 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.030 2.386 -5.108 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.190 2.194 -5.475 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.357 1.509 -4.373 1.00 0.00 N ATOM 0 H ASN A 82 -12.020 2.560 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.243 3.164 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.588 3.911 -4.691 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.009 4.481 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.800 0.635 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.397 1.709 -4.091 1.00 0.00 H new ATOM 1325 N GLN A 83 -11.746 4.931 -7.582 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.084 6.142 -8.021 1.00 0.00 C ATOM 1327 C GLN A 83 -11.222 7.249 -6.991 1.00 0.00 C ATOM 1328 O GLN A 83 -11.578 8.382 -7.313 1.00 0.00 O ATOM 1329 CB GLN A 83 -11.637 6.556 -9.367 1.00 0.00 C ATOM 1330 CG GLN A 83 -11.683 5.385 -10.322 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.087 5.057 -10.757 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -13.736 4.200 -9.986 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -13.582 5.565 -11.763 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.140 4.111 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.017 5.947 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.639 6.966 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.019 7.349 -9.789 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.077 5.610 -11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.240 4.511 -9.844 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.038 6.221 -12.324 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.536 5.330 -12.036 1.00 0.00 H new ATOM 1342 N GLU A 84 -10.926 6.901 -5.746 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.007 7.842 -4.643 1.00 0.00 C ATOM 1344 C GLU A 84 -9.685 7.889 -3.889 1.00 0.00 C ATOM 1345 O GLU A 84 -9.059 6.855 -3.660 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.132 7.438 -3.697 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.504 7.430 -4.350 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.606 7.034 -3.386 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.849 5.820 -3.229 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.226 7.939 -2.790 1.00 0.00 O ATOM 0 H GLU A 84 -10.625 5.965 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.216 8.834 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.922 6.445 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.146 8.123 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.717 8.420 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.497 6.738 -5.193 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.262 9.090 -3.508 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.014 9.252 -2.782 1.00 0.00 C ATOM 1359 C TRP A 85 -8.132 8.664 -1.380 1.00 0.00 C ATOM 1360 O TRP A 85 -8.459 9.361 -0.421 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.628 10.731 -2.722 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.145 11.275 -4.030 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.577 12.398 -4.668 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.135 10.710 -4.856 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.890 12.563 -5.850 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -5.996 11.532 -5.986 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.338 9.582 -4.739 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.079 11.254 -6.998 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.428 9.302 -5.738 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.305 10.135 -6.856 1.00 0.00 C ATOM 0 H TRP A 85 -9.764 9.959 -3.690 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.228 8.712 -3.310 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.490 11.310 -2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.849 10.865 -1.972 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.346 13.062 -4.301 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.024 13.325 -6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.428 8.933 -3.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -4.983 11.897 -7.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.801 8.426 -5.656 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.584 9.889 -7.622 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.859 7.366 -1.283 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.939 6.643 -0.021 1.00 0.00 C ATOM 1383 C LEU A 86 -6.717 6.891 0.854 1.00 0.00 C ATOM 1384 O LEU A 86 -5.664 6.296 0.634 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.073 5.142 -0.293 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.391 4.692 -0.941 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.680 3.247 -0.577 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.545 5.591 -0.515 1.00 0.00 C ATOM 0 H LEU A 86 -7.577 6.789 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.816 7.009 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.250 4.835 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.954 4.610 0.651 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.288 4.771 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.616 2.935 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.869 2.612 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.762 3.154 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.466 5.250 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.657 5.550 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.339 6.617 -0.820 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.857 7.750 1.859 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.743 8.035 2.750 1.00 0.00 C ATOM 1402 C TRP A 87 -5.327 6.773 3.478 1.00 0.00 C ATOM 1403 O TRP A 87 -6.138 6.107 4.120 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.091 9.127 3.754 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.747 10.503 3.273 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.611 11.425 2.760 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.444 11.112 3.247 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.934 12.568 2.414 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.604 12.402 2.702 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.156 10.700 3.628 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.535 13.276 2.525 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.100 11.573 3.450 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.295 12.846 2.902 1.00 0.00 C ATOM 0 H TRP A 87 -7.718 8.253 2.073 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.913 8.395 2.142 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.158 9.082 3.974 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.564 8.934 4.688 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.674 11.277 2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.353 13.405 2.008 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.994 9.720 4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.681 14.260 2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.105 11.267 3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.447 13.502 2.775 1.00 0.00 H new ATOM 1424 N MET A 88 -4.054 6.460 3.367 1.00 0.00 N ATOM 1425 CA MET A 88 -3.494 5.272 3.982 1.00 0.00 C ATOM 1426 C MET A 88 -2.181 5.581 4.664 1.00 0.00 C ATOM 1427 O MET A 88 -1.562 6.610 4.413 1.00 0.00 O ATOM 1428 CB MET A 88 -3.246 4.200 2.923 1.00 0.00 C ATOM 1429 CG MET A 88 -4.463 3.863 2.098 1.00 0.00 C ATOM 1430 SD MET A 88 -5.348 2.420 2.692 1.00 0.00 S ATOM 1431 CE MET A 88 -6.604 2.313 1.427 1.00 0.00 C ATOM 0 H MET A 88 -3.377 7.020 2.849 1.00 0.00 H new ATOM 0 HA MET A 88 -4.210 4.915 4.722 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.450 4.537 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.889 3.294 3.413 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.139 4.718 2.094 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.157 3.693 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.819 1.266 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.512 2.808 1.773 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.249 2.800 0.519 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.774 4.675 5.528 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.517 4.798 6.234 1.00 0.00 C ATOM 1443 C ARG A 89 0.343 3.590 5.888 1.00 0.00 C ATOM 1444 O ARG A 89 -0.060 2.454 6.132 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.755 4.842 7.739 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.805 5.848 8.160 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.354 6.623 9.380 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.354 5.799 10.587 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.726 6.135 11.710 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.047 7.272 11.781 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.777 5.333 12.763 1.00 0.00 N ATOM 0 H ARG A 89 -2.304 3.835 5.760 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.017 5.721 5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.057 3.851 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.184 5.079 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.003 6.537 7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.741 5.333 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.351 7.015 9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.011 7.480 9.527 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.865 4.916 10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.005 7.892 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.433 7.526 12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.298 4.458 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.295 5.591 13.624 1.00 0.00 H new ATOM 1465 N THR A 90 1.519 3.821 5.331 1.00 0.00 N ATOM 1466 CA THR A 90 2.374 2.713 4.930 1.00 0.00 C ATOM 1467 C THR A 90 3.400 2.336 5.979 1.00 0.00 C ATOM 1468 O THR A 90 4.018 3.205 6.605 1.00 0.00 O ATOM 1469 CB THR A 90 3.144 3.017 3.645 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.343 3.733 3.952 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.296 3.823 2.693 1.00 0.00 C ATOM 0 H THR A 90 1.901 4.749 5.147 1.00 0.00 H new ATOM 0 HA THR A 90 1.682 1.884 4.782 1.00 0.00 H new ATOM 0 HB THR A 90 3.401 2.072 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.120 3.168 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.863 4.028 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.398 3.260 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.014 4.764 3.165 1.00 0.00 H new ATOM 1479 N SER A 91 3.572 1.025 6.136 1.00 0.00 N ATOM 1480 CA SER A 91 4.553 0.453 7.042 1.00 0.00 C ATOM 1481 C SER A 91 5.595 -0.269 6.194 1.00 0.00 C ATOM 1482 O SER A 91 5.655 -1.499 6.162 1.00 0.00 O ATOM 1483 CB SER A 91 3.882 -0.517 8.018 1.00 0.00 C ATOM 1484 OG SER A 91 3.613 0.113 9.259 1.00 0.00 O ATOM 0 H SER A 91 3.026 0.327 5.631 1.00 0.00 H new ATOM 0 HA SER A 91 5.025 1.235 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.953 -0.888 7.586 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.527 -1.381 8.178 1.00 0.00 H new ATOM 0 HG SER A 91 3.183 -0.527 9.864 1.00 0.00 H new ATOM 1490 N SER A 92 6.401 0.525 5.494 1.00 0.00 N ATOM 1491 CA SER A 92 7.415 0.008 4.580 1.00 0.00 C ATOM 1492 C SER A 92 8.718 -0.357 5.281 1.00 0.00 C ATOM 1493 O SER A 92 9.343 0.467 5.939 1.00 0.00 O ATOM 1494 CB SER A 92 7.690 1.043 3.494 1.00 0.00 C ATOM 1495 OG SER A 92 6.530 1.810 3.220 1.00 0.00 O ATOM 0 H SER A 92 6.370 1.543 5.544 1.00 0.00 H new ATOM 0 HA SER A 92 7.020 -0.911 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.499 1.701 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.023 0.542 2.585 1.00 0.00 H new ATOM 0 HG SER A 92 6.603 2.206 2.326 1.00 0.00 H new ATOM 1501 N GLN A 93 9.117 -1.607 5.122 1.00 0.00 N ATOM 1502 CA GLN A 93 10.357 -2.113 5.691 1.00 0.00 C ATOM 1503 C GLN A 93 10.817 -3.316 4.885 1.00 0.00 C ATOM 1504 O GLN A 93 9.995 -4.120 4.454 1.00 0.00 O ATOM 1505 CB GLN A 93 10.183 -2.500 7.158 1.00 0.00 C ATOM 1506 CG GLN A 93 9.142 -3.585 7.385 1.00 0.00 C ATOM 1507 CD GLN A 93 9.244 -4.216 8.757 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.452 -4.238 9.299 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.252 -4.676 9.322 1.00 0.00 N flip ATOM 0 H GLN A 93 8.590 -2.302 4.594 1.00 0.00 H new ATOM 0 HA GLN A 93 11.108 -1.324 5.647 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.141 -2.840 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.902 -1.614 7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.146 -3.159 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.257 -4.358 6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.341 -4.637 8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.341 -5.096 10.247 1.00 0.00 H new ATOM 1518 N THR A 94 12.124 -3.438 4.690 1.00 0.00 N ATOM 1519 CA THR A 94 12.682 -4.534 3.909 1.00 0.00 C ATOM 1520 C THR A 94 11.979 -5.850 4.208 1.00 0.00 C ATOM 1521 O THR A 94 11.934 -6.305 5.351 1.00 0.00 O ATOM 1522 CB THR A 94 14.185 -4.675 4.165 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.418 -5.211 5.473 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.860 -3.321 4.038 1.00 0.00 C ATOM 0 H THR A 94 12.818 -2.790 5.063 1.00 0.00 H new ATOM 0 HA THR A 94 12.522 -4.295 2.858 1.00 0.00 H new ATOM 0 HB THR A 94 14.604 -5.357 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.599 -5.636 5.803 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.929 -3.429 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.702 -2.928 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.434 -2.632 4.768 1.00 0.00 H new ATOM 1532 N ALA A 95 11.425 -6.444 3.156 1.00 0.00 N ATOM 1533 CA ALA A 95 10.697 -7.701 3.258 1.00 0.00 C ATOM 1534 C ALA A 95 11.491 -8.766 4.006 1.00 0.00 C ATOM 1535 O ALA A 95 12.673 -8.591 4.298 1.00 0.00 O ATOM 1536 CB ALA A 95 10.331 -8.196 1.872 1.00 0.00 C ATOM 0 H ALA A 95 11.469 -6.067 2.209 1.00 0.00 H new ATOM 0 HA ALA A 95 9.790 -7.513 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.787 -9.137 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.704 -7.456 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.239 -8.352 1.290 1.00 0.00 H new ATOM 1542 N GLN A 96 10.828 -9.876 4.300 1.00 0.00 N ATOM 1543 CA GLN A 96 11.447 -10.977 5.019 1.00 0.00 C ATOM 1544 C GLN A 96 12.509 -11.669 4.179 1.00 0.00 C ATOM 1545 O GLN A 96 13.690 -11.323 4.243 1.00 0.00 O ATOM 1546 CB GLN A 96 10.377 -11.967 5.451 1.00 0.00 C ATOM 1547 CG GLN A 96 9.175 -11.291 6.080 1.00 0.00 C ATOM 1548 CD GLN A 96 9.458 -10.777 7.479 1.00 0.00 C ATOM 1549 OE1 GLN A 96 10.268 -11.348 8.210 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.792 -9.692 7.857 1.00 0.00 N ATOM 0 H GLN A 96 9.853 -10.037 4.048 1.00 0.00 H new ATOM 0 HA GLN A 96 11.945 -10.574 5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.052 -12.545 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.806 -12.672 6.163 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.859 -10.460 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.345 -11.996 6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.130 -9.251 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.942 -9.299 8.786 1.00 0.00 H new ATOM 1559 N ASN A 97 12.079 -12.639 3.390 1.00 0.00 N ATOM 1560 CA ASN A 97 12.987 -13.396 2.539 1.00 0.00 C ATOM 1561 C ASN A 97 12.213 -14.385 1.664 1.00 0.00 C ATOM 1562 O ASN A 97 11.138 -14.845 2.047 1.00 0.00 O ATOM 1563 CB ASN A 97 14.010 -14.131 3.411 1.00 0.00 C ATOM 1564 CG ASN A 97 14.146 -15.602 3.058 1.00 0.00 C ATOM 1565 OD1 ASN A 97 14.977 -15.981 2.234 1.00 0.00 O ATOM 1566 ND2 ASN A 97 13.325 -16.437 3.685 1.00 0.00 N ATOM 0 H ASN A 97 11.102 -12.923 3.320 1.00 0.00 H new ATOM 0 HA ASN A 97 13.512 -12.707 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.981 -13.647 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.719 -14.040 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.368 -17.437 3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.651 -16.078 4.361 1.00 0.00 H new ATOM 1573 N PRO A 98 12.743 -14.727 0.470 1.00 0.00 N ATOM 1574 CA PRO A 98 14.017 -14.207 -0.040 1.00 0.00 C ATOM 1575 C PRO A 98 13.899 -12.790 -0.593 1.00 0.00 C ATOM 1576 O PRO A 98 14.816 -12.294 -1.249 1.00 0.00 O ATOM 1577 CB PRO A 98 14.331 -15.184 -1.169 1.00 0.00 C ATOM 1578 CG PRO A 98 13.003 -15.560 -1.693 1.00 0.00 C ATOM 1579 CD PRO A 98 12.131 -15.670 -0.485 1.00 0.00 C ATOM 0 HA PRO A 98 14.778 -14.139 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.948 -14.720 -1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.877 -16.054 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 98 12.625 -14.809 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 98 13.045 -16.504 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 98 11.099 -15.400 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 98 12.117 -16.686 -0.092 1.00 0.00 H new ATOM 1587 N TYR A 99 12.770 -12.141 -0.326 1.00 0.00 N ATOM 1588 CA TYR A 99 12.535 -10.792 -0.803 1.00 0.00 C ATOM 1589 C TYR A 99 13.115 -9.773 0.166 1.00 0.00 C ATOM 1590 O TYR A 99 12.624 -8.657 0.269 1.00 0.00 O ATOM 1591 CB TYR A 99 11.038 -10.555 -0.981 1.00 0.00 C ATOM 1592 CG TYR A 99 10.213 -11.821 -0.956 1.00 0.00 C ATOM 1593 CD1 TYR A 99 10.404 -12.805 -1.916 1.00 0.00 C ATOM 1594 CD2 TYR A 99 9.252 -12.032 0.020 1.00 0.00 C ATOM 1595 CE1 TYR A 99 9.656 -13.966 -1.905 1.00 0.00 C ATOM 1596 CE2 TYR A 99 8.498 -13.190 0.039 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.704 -14.154 -0.924 1.00 0.00 C ATOM 1598 OH TYR A 99 7.957 -15.309 -0.909 1.00 0.00 O ATOM 0 H TYR A 99 12.004 -12.534 0.221 1.00 0.00 H new ATOM 0 HA TYR A 99 13.031 -10.673 -1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.689 -9.889 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.871 -10.042 -1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.150 -12.661 -2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.090 -11.280 0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.815 -14.722 -2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.751 -13.339 0.805 1.00 0.00 H new ATOM 0 HH TYR A 99 7.333 -15.285 -0.154 1.00 0.00 H new ATOM 1608 N SER A 100 14.164 -10.162 0.881 1.00 0.00 N ATOM 1609 CA SER A 100 14.790 -9.268 1.845 1.00 0.00 C ATOM 1610 C SER A 100 15.234 -7.973 1.171 1.00 0.00 C ATOM 1611 O SER A 100 15.159 -6.898 1.766 1.00 0.00 O ATOM 1612 CB SER A 100 15.986 -9.951 2.511 1.00 0.00 C ATOM 1613 OG SER A 100 16.588 -9.102 3.473 1.00 0.00 O ATOM 0 H SER A 100 14.596 -11.084 0.812 1.00 0.00 H new ATOM 0 HA SER A 100 14.053 -9.025 2.611 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.661 -10.875 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.720 -10.225 1.754 1.00 0.00 H new ATOM 0 HG SER A 100 17.349 -9.562 3.885 1.00 0.00 H new ATOM 1619 N ASP A 101 15.694 -8.083 -0.071 1.00 0.00 N ATOM 1620 CA ASP A 101 16.138 -6.917 -0.826 1.00 0.00 C ATOM 1621 C ASP A 101 14.939 -6.081 -1.258 1.00 0.00 C ATOM 1622 O ASP A 101 15.091 -4.995 -1.819 1.00 0.00 O ATOM 1623 CB ASP A 101 16.946 -7.350 -2.050 1.00 0.00 C ATOM 1624 CG ASP A 101 16.103 -8.093 -3.069 1.00 0.00 C ATOM 1625 OD1 ASP A 101 15.754 -9.264 -2.809 1.00 0.00 O ATOM 1626 OD2 ASP A 101 15.790 -7.504 -4.124 1.00 0.00 O ATOM 0 H ASP A 101 15.769 -8.966 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 101 16.777 -6.311 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.387 -6.471 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.770 -7.988 -1.730 1.00 0.00 H new ATOM 1631 N GLU A 102 13.745 -6.601 -0.989 1.00 0.00 N ATOM 1632 CA GLU A 102 12.508 -5.915 -1.340 1.00 0.00 C ATOM 1633 C GLU A 102 12.055 -5.010 -0.216 1.00 0.00 C ATOM 1634 O GLU A 102 12.844 -4.614 0.642 1.00 0.00 O ATOM 1635 CB GLU A 102 11.393 -6.915 -1.640 1.00 0.00 C ATOM 1636 CG GLU A 102 11.711 -7.845 -2.783 1.00 0.00 C ATOM 1637 CD GLU A 102 10.473 -8.423 -3.434 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.467 -8.622 -2.721 1.00 0.00 O ATOM 1639 OE2 GLU A 102 10.509 -8.683 -4.654 1.00 0.00 O ATOM 0 H GLU A 102 13.609 -7.500 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 102 12.712 -5.320 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.195 -7.506 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.478 -6.369 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.292 -7.307 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.338 -8.659 -2.419 1.00 0.00 H new ATOM 1646 N ILE A 103 10.768 -4.696 -0.230 1.00 0.00 N ATOM 1647 CA ILE A 103 10.184 -3.822 0.780 1.00 0.00 C ATOM 1648 C ILE A 103 8.730 -4.173 1.076 1.00 0.00 C ATOM 1649 O ILE A 103 7.839 -3.939 0.258 1.00 0.00 O ATOM 1650 CB ILE A 103 10.263 -2.339 0.351 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.722 -1.928 0.117 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.590 -1.434 1.385 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.900 -0.545 -0.474 1.00 0.00 C ATOM 0 H ILE A 103 10.107 -5.033 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 103 10.770 -3.973 1.686 1.00 0.00 H new ATOM 0 HB ILE A 103 9.723 -2.222 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.256 -1.975 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.189 -2.655 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.659 -0.396 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.541 -1.714 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.089 -1.547 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.962 -0.339 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.399 -0.495 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.467 0.196 0.198 1.00 0.00 H new ATOM 1665 N GLU A 104 8.507 -4.742 2.255 1.00 0.00 N ATOM 1666 CA GLU A 104 7.175 -5.098 2.709 1.00 0.00 C ATOM 1667 C GLU A 104 6.463 -3.855 3.224 1.00 0.00 C ATOM 1668 O GLU A 104 6.823 -3.310 4.267 1.00 0.00 O ATOM 1669 CB GLU A 104 7.273 -6.135 3.822 1.00 0.00 C ATOM 1670 CG GLU A 104 6.020 -6.972 3.985 1.00 0.00 C ATOM 1671 CD GLU A 104 6.158 -8.027 5.065 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.602 -9.150 4.745 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.825 -7.732 6.231 1.00 0.00 O ATOM 0 H GLU A 104 9.246 -4.968 2.920 1.00 0.00 H new ATOM 0 HA GLU A 104 6.609 -5.518 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.116 -6.795 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.485 -5.627 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.181 -6.319 4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.786 -7.457 3.037 1.00 0.00 H new ATOM 1680 N THR A 105 5.453 -3.411 2.492 1.00 0.00 N ATOM 1681 CA THR A 105 4.714 -2.215 2.862 1.00 0.00 C ATOM 1682 C THR A 105 3.270 -2.529 3.235 1.00 0.00 C ATOM 1683 O THR A 105 2.488 -2.989 2.403 1.00 0.00 O ATOM 1684 CB THR A 105 4.749 -1.192 1.713 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.063 -0.638 1.618 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.737 -0.074 1.915 1.00 0.00 C ATOM 0 H THR A 105 5.126 -3.862 1.637 1.00 0.00 H new ATOM 0 HA THR A 105 5.198 -1.792 3.742 1.00 0.00 H new ATOM 0 HB THR A 105 4.486 -1.711 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.221 -0.327 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.796 0.625 1.081 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.733 -0.496 1.964 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.956 0.451 2.845 1.00 0.00 H new ATOM 1694 N ILE A 106 2.925 -2.273 4.495 1.00 0.00 N ATOM 1695 CA ILE A 106 1.569 -2.514 4.976 1.00 0.00 C ATOM 1696 C ILE A 106 0.728 -1.254 4.856 1.00 0.00 C ATOM 1697 O ILE A 106 0.839 -0.340 5.673 1.00 0.00 O ATOM 1698 CB ILE A 106 1.538 -2.988 6.443 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.209 -4.357 6.579 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.097 -3.046 6.950 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.719 -4.308 6.483 1.00 0.00 C ATOM 0 H ILE A 106 3.563 -1.900 5.198 1.00 0.00 H new ATOM 0 HA ILE A 106 1.158 -3.306 4.350 1.00 0.00 H new ATOM 0 HB ILE A 106 2.092 -2.273 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.929 -4.795 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.826 -5.018 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.089 -3.382 7.987 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.351 -2.054 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.476 -3.743 6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.123 -5.315 6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.009 -3.900 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.114 -3.674 7.277 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.109 -1.209 3.831 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.969 -0.063 3.608 1.00 0.00 C ATOM 1715 C ILE A 107 -2.234 -0.152 4.459 1.00 0.00 C ATOM 1716 O ILE A 107 -3.113 -0.971 4.194 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.350 0.050 2.130 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.082 0.205 1.294 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.287 1.227 1.923 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.321 0.069 -0.188 1.00 0.00 C ATOM 0 H ILE A 107 -0.209 -1.954 3.142 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.413 0.827 3.901 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.871 -0.854 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.360 1.181 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.645 -0.544 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.553 1.299 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.190 1.082 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.792 2.146 2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.622 0.190 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.734 -0.917 -0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.024 0.835 -0.515 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.325 0.700 5.476 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.472 0.699 6.382 1.00 0.00 C ATOM 1734 C CYS A 108 -4.404 1.883 6.136 1.00 0.00 C ATOM 1735 O CYS A 108 -3.967 3.031 6.093 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.983 0.726 7.832 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.293 0.968 9.053 1.00 0.00 S ATOM 0 H CYS A 108 -1.618 1.402 5.695 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.039 -0.212 6.191 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.470 -0.211 8.048 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.249 1.524 7.941 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.342 0.284 8.705 1.00 0.00 H new ATOM 1743 N THR A 109 -5.694 1.591 5.980 1.00 0.00 N ATOM 1744 CA THR A 109 -6.696 2.631 5.763 1.00 0.00 C ATOM 1745 C THR A 109 -6.742 3.575 6.962 1.00 0.00 C ATOM 1746 O THR A 109 -6.654 3.133 8.108 1.00 0.00 O ATOM 1747 CB THR A 109 -8.095 2.023 5.554 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.429 1.169 6.655 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.150 1.232 4.258 1.00 0.00 C ATOM 0 H THR A 109 -6.069 0.643 6.000 1.00 0.00 H new ATOM 0 HA THR A 109 -6.412 3.181 4.866 1.00 0.00 H new ATOM 0 HB THR A 109 -8.817 2.838 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.321 0.788 6.515 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.147 0.811 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.924 1.891 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.418 0.425 4.293 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.884 4.870 6.699 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.928 5.861 7.771 1.00 0.00 C ATOM 1759 C ASN A 110 -8.360 6.129 8.226 1.00 0.00 C ATOM 1760 O ASN A 110 -9.275 5.374 7.901 1.00 0.00 O ATOM 1761 CB ASN A 110 -6.276 7.165 7.309 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.641 7.929 8.449 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -5.304 7.359 9.486 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -5.464 9.228 8.255 1.00 0.00 N ATOM 0 H ASN A 110 -6.970 5.257 5.759 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.374 5.459 8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.518 6.943 6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -7.026 7.793 6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.032 9.798 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.759 9.658 7.378 1.00 0.00 H new ATOM 1771 N THR A 111 -8.533 7.209 8.989 1.00 0.00 N ATOM 1772 CA THR A 111 -9.841 7.605 9.511 1.00 0.00 C ATOM 1773 C THR A 111 -10.447 6.511 10.385 1.00 0.00 C ATOM 1774 O THR A 111 -9.904 5.411 10.487 1.00 0.00 O ATOM 1775 CB THR A 111 -10.832 7.963 8.382 1.00 0.00 C ATOM 1776 OG1 THR A 111 -11.298 6.775 7.732 1.00 0.00 O ATOM 1777 CG2 THR A 111 -10.178 8.882 7.360 1.00 0.00 C ATOM 0 H THR A 111 -7.773 7.832 9.262 1.00 0.00 H new ATOM 0 HA THR A 111 -9.671 8.495 10.117 1.00 0.00 H new ATOM 0 HB THR A 111 -11.679 8.483 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.542 6.315 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.895 9.121 6.574 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.857 9.801 7.850 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.313 8.383 6.923 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.575 6.827 11.019 1.00 0.00 N ATOM 1786 CA ASN A 112 -12.262 5.879 11.891 1.00 0.00 C ATOM 1787 C ASN A 112 -11.362 5.447 13.045 1.00 0.00 C ATOM 1788 O ASN A 112 -10.588 4.498 12.919 1.00 0.00 O ATOM 1789 CB ASN A 112 -12.719 4.653 11.096 1.00 0.00 C ATOM 1790 CG ASN A 112 -13.617 5.017 9.931 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -14.390 6.087 10.088 1.00 0.00 O flip ATOM 1792 ND2 ASN A 112 -13.619 4.345 8.900 1.00 0.00 N flip ATOM 0 H ASN A 112 -12.033 7.735 10.944 1.00 0.00 H new ATOM 0 HA ASN A 112 -13.138 6.378 12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.845 4.119 10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.250 3.971 11.760 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.010 3.531 8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.230 4.602 8.125 1.00 0.00 H new ATOM 1799 N VAL A 113 -11.471 6.150 14.169 1.00 0.00 N ATOM 1800 CA VAL A 113 -10.664 5.841 15.344 1.00 0.00 C ATOM 1801 C VAL A 113 -11.314 4.753 16.194 1.00 0.00 C ATOM 1802 O VAL A 113 -10.625 3.974 16.853 1.00 0.00 O ATOM 1803 CB VAL A 113 -10.436 7.093 16.216 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -9.698 8.165 15.428 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -11.757 7.628 16.746 1.00 0.00 C ATOM 0 H VAL A 113 -12.109 6.936 14.290 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.702 5.482 14.978 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.819 6.809 17.069 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.546 9.041 16.059 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -8.731 7.778 15.105 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.287 8.445 14.555 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.573 8.511 17.358 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.403 7.895 15.910 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.243 6.862 17.350 1.00 0.00 H new ATOM 1815 N LYS A 114 -12.643 4.702 16.174 1.00 0.00 N ATOM 1816 CA LYS A 114 -13.381 3.708 16.945 1.00 0.00 C ATOM 1817 C LYS A 114 -13.719 2.493 16.086 1.00 0.00 C ATOM 1818 O LYS A 114 -13.125 1.426 16.245 1.00 0.00 O ATOM 1819 CB LYS A 114 -14.664 4.320 17.514 1.00 0.00 C ATOM 1820 CG LYS A 114 -14.422 5.500 18.443 1.00 0.00 C ATOM 1821 CD LYS A 114 -13.623 5.091 19.671 1.00 0.00 C ATOM 1822 CE LYS A 114 -13.380 6.271 20.598 1.00 0.00 C ATOM 1823 NZ LYS A 114 -12.663 7.379 19.909 1.00 0.00 N ATOM 0 H LYS A 114 -13.230 5.337 15.633 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.747 3.382 17.770 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -15.298 4.644 16.689 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.214 3.550 18.055 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.888 6.284 17.905 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -15.378 5.921 18.754 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.157 4.308 20.210 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.667 4.669 19.360 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.334 6.637 20.978 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.799 5.942 21.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.367 8.089 20.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.825 7.001 19.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.296 7.822 19.213 1.00 0.00 H new ATOM 1837 N ASN A 115 -14.674 2.662 15.177 1.00 0.00 N ATOM 1838 CA ASN A 115 -15.086 1.578 14.292 1.00 0.00 C ATOM 1839 C ASN A 115 -14.575 1.815 12.873 1.00 0.00 C ATOM 1840 O ASN A 115 -15.028 2.727 12.183 1.00 0.00 O ATOM 1841 CB ASN A 115 -16.612 1.439 14.294 1.00 0.00 C ATOM 1842 CG ASN A 115 -17.317 2.725 13.908 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -17.581 3.580 14.753 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -17.633 2.864 12.626 1.00 0.00 N ATOM 0 H ASN A 115 -15.177 3.538 15.034 1.00 0.00 H new ATOM 0 HA ASN A 115 -14.651 0.650 14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -16.902 0.649 13.602 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -16.943 1.131 15.286 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -18.114 3.705 12.308 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -17.395 2.130 11.959 1.00 0.00 H new ATOM 1851 N SER A 116 -13.624 0.988 12.447 1.00 0.00 N ATOM 1852 CA SER A 116 -13.045 1.110 11.113 1.00 0.00 C ATOM 1853 C SER A 116 -13.578 0.027 10.181 1.00 0.00 C ATOM 1854 O SER A 116 -14.013 -1.035 10.629 1.00 0.00 O ATOM 1855 CB SER A 116 -11.520 1.026 11.189 1.00 0.00 C ATOM 1856 OG SER A 116 -10.937 1.153 9.903 1.00 0.00 O ATOM 0 H SER A 116 -13.238 0.227 13.006 1.00 0.00 H new ATOM 0 HA SER A 116 -13.332 2.081 10.710 1.00 0.00 H new ATOM 0 HB2 SER A 116 -11.142 1.812 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 116 -11.227 0.074 11.632 1.00 0.00 H new ATOM 0 HG SER A 116 -9.962 1.098 9.979 1.00 0.00 H new ATOM 1862 N SER A 117 -13.539 0.306 8.882 1.00 0.00 N ATOM 1863 CA SER A 117 -14.014 -0.638 7.875 1.00 0.00 C ATOM 1864 C SER A 117 -13.595 -0.187 6.479 1.00 0.00 C ATOM 1865 O SER A 117 -12.624 0.554 6.325 1.00 0.00 O ATOM 1866 CB SER A 117 -15.538 -0.771 7.951 1.00 0.00 C ATOM 1867 OG SER A 117 -16.172 0.477 7.731 1.00 0.00 O ATOM 0 H SER A 117 -13.182 1.182 8.500 1.00 0.00 H new ATOM 0 HA SER A 117 -13.565 -1.611 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.880 -1.492 7.209 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.824 -1.160 8.928 1.00 0.00 H new ATOM 0 HG SER A 117 -17.144 0.364 7.783 1.00 0.00 H new ATOM 1873 N GLN A 118 -14.326 -0.642 5.465 1.00 0.00 N ATOM 1874 CA GLN A 118 -14.029 -0.279 4.083 1.00 0.00 C ATOM 1875 C GLN A 118 -13.946 1.235 3.924 1.00 0.00 C ATOM 1876 O GLN A 118 -14.960 1.931 3.979 1.00 0.00 O ATOM 1877 CB GLN A 118 -15.096 -0.846 3.146 1.00 0.00 C ATOM 1878 CG GLN A 118 -14.848 -0.531 1.679 1.00 0.00 C ATOM 1879 CD GLN A 118 -15.955 -1.043 0.778 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -16.602 -2.047 1.076 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -16.179 -0.352 -0.335 1.00 0.00 N ATOM 0 H GLN A 118 -15.128 -1.263 5.575 1.00 0.00 H new ATOM 0 HA GLN A 118 -13.061 -0.706 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.142 -1.927 3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -16.069 -0.449 3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -14.752 0.548 1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -13.900 -0.973 1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -15.619 0.475 -0.543 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -16.911 -0.648 -0.981 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.731 1.739 3.727 1.00 0.00 N ATOM 1891 CA GLU A 119 -12.518 3.173 3.561 1.00 0.00 C ATOM 1892 C GLU A 119 -12.996 3.638 2.189 1.00 0.00 C ATOM 1893 O GLU A 119 -12.207 3.547 1.226 1.00 0.00 O ATOM 1894 CB GLU A 119 -11.038 3.517 3.746 1.00 0.00 C ATOM 1895 CG GLU A 119 -10.740 5.001 3.613 1.00 0.00 C ATOM 1896 CD GLU A 119 -9.272 5.323 3.819 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -8.485 5.138 2.867 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -8.911 5.759 4.932 1.00 0.00 O ATOM 1899 OXT GLU A 119 -14.156 4.089 2.090 1.00 0.00 O ATOM 0 H GLU A 119 -11.881 1.177 3.679 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.100 3.692 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -10.714 3.176 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.451 2.969 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.048 5.342 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.335 5.554 4.340 1.00 0.00 H new TER 1906 GLU A 119