USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=37 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 SER OG : rot -47:sc= 0.661 USER MOD Set 2.1: A 75 MET CE :methyl 173:sc= -2.79 (180deg=-2.99) USER MOD Set 2.2: A 110 ASN :FLIP amide:sc= -2.25! F(o=-6.2,f=-5!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.72 K(o=-2.7,f=-20!) USER MOD Set 3.2: A 60 SER OG : rot -153:sc= -0.312 USER MOD Set 3.3: A 90 THR OG1 : rot 113:sc= -1.91! USER MOD Set 3.4: A 92 SER OG : rot -160:sc= 1.21! USER MOD Set 3.5: A 105 THR OG1 : rot 156:sc= 1.06 USER MOD Set 4.1: A 8 GLN : amide:sc= 0 X(o=-0.81,f=-1.2) USER MOD Set 4.2: A 116 SER OG : rot -96:sc= -0.814 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -121:sc= -0.408 (180deg=-3.75!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.435! C(o=-1.6!,f=-0.44!) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.742 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -110:sc= 1.11 USER MOD Single : A 17 ASN : amide:sc= -4.21! C(o=-4.2!,f=-11!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-3.2) USER MOD Single : A 29 CYS SG : rot 74:sc= -2.91 USER MOD Single : A 32 THR OG1 : rot 61:sc= 1.02 USER MOD Single : A 35 TYR OH : rot 117:sc= 0.725 USER MOD Single : A 36 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.78) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.29! C(o=-3.3!,f=-6.8!) USER MOD Single : A 49 CYS SG : rot -57:sc= -2.79! USER MOD Single : A 50 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-6.8!) USER MOD Single : A 54 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.9 F(o=-2.5,f=-1.9) USER MOD Single : A 62 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.91) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0724 F(o=-1.2,f=-0.072) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0374 (180deg=-0.236) USER MOD Single : A 68 LYS NZ :NH3+ -151:sc= -0.485 (180deg=-1.91) USER MOD Single : A 70 GLN : amide:sc= -0.246 K(o=-0.25,f=-0.86) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0.365 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.0102 (180deg=-0.163) USER MOD Single : A 82 ASN : amide:sc= -0.0075 K(o=-0.0075,f=-0.68) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.453 F(o=-3.1!,f=-0.45) USER MOD Single : A 88 MET CE :methyl 142:sc= -8.97! (180deg=-11.9!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0999 F(o=-2.3!,f=-0.1) USER MOD Single : A 94 THR OG1 : rot 10:sc= 0.5 USER MOD Single : A 96 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.1) USER MOD Single : A 97 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.4!) 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 43:sc= 1 USER MOD Single : A 111 THR OG1 : rot 23:sc= 0.164 USER MOD Single : A 112 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.9!) USER MOD Single : A 114 LYS NZ :NH3+ 166:sc= -0.0575 (180deg=-0.293) USER MOD Single : A 115 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.7!) USER MOD Single : A 118 GLN : amide:sc= -1.84 K(o=-1.8,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.577 -4.096 -10.234 1.00 0.00 N ATOM 2 CA GLY A 1 -20.515 -5.150 -9.760 1.00 0.00 C ATOM 3 C GLY A 1 -20.470 -5.335 -8.256 1.00 0.00 C ATOM 4 O GLY A 1 -21.035 -4.536 -7.508 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.646 -4.009 -11.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.824 -3.187 -9.793 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.604 -4.354 -9.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.530 -4.890 -10.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.271 -6.094 -10.246 1.00 0.00 H new ATOM 10 N ALA A 2 -19.793 -6.390 -7.812 1.00 0.00 N ATOM 11 CA ALA A 2 -19.677 -6.681 -6.388 1.00 0.00 C ATOM 12 C ALA A 2 -18.520 -7.636 -6.116 1.00 0.00 C ATOM 13 O ALA A 2 -18.550 -8.796 -6.528 1.00 0.00 O ATOM 14 CB ALA A 2 -20.981 -7.264 -5.862 1.00 0.00 C ATOM 0 H ALA A 2 -19.317 -7.057 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.472 -5.747 -5.866 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.881 -7.477 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.788 -6.547 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.209 -8.186 -6.397 1.00 0.00 H new ATOM 20 N MET A 3 -17.501 -7.143 -5.416 1.00 0.00 N ATOM 21 CA MET A 3 -16.332 -7.954 -5.091 1.00 0.00 C ATOM 22 C MET A 3 -16.121 -8.030 -3.582 1.00 0.00 C ATOM 23 O MET A 3 -15.874 -7.016 -2.927 1.00 0.00 O ATOM 24 CB MET A 3 -15.083 -7.382 -5.765 1.00 0.00 C ATOM 25 CG MET A 3 -13.800 -8.116 -5.400 1.00 0.00 C ATOM 26 SD MET A 3 -13.827 -9.852 -5.887 1.00 0.00 S ATOM 27 CE MET A 3 -12.299 -10.436 -5.153 1.00 0.00 C ATOM 0 H MET A 3 -17.462 -6.187 -5.064 1.00 0.00 H new ATOM 0 HA MET A 3 -16.508 -8.963 -5.465 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.216 -7.417 -6.846 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.981 -6.332 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.955 -7.622 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.641 -8.047 -4.324 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.652 -10.839 -5.932 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.795 -9.608 -4.655 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.520 -11.217 -4.425 1.00 0.00 H new ATOM 37 N ASP A 4 -16.219 -9.238 -3.038 1.00 0.00 N ATOM 38 CA ASP A 4 -16.034 -9.454 -1.607 1.00 0.00 C ATOM 39 C ASP A 4 -15.038 -10.583 -1.358 1.00 0.00 C ATOM 40 O ASP A 4 -15.372 -11.761 -1.486 1.00 0.00 O ATOM 41 CB ASP A 4 -17.374 -9.771 -0.938 1.00 0.00 C ATOM 42 CG ASP A 4 -18.085 -10.943 -1.586 1.00 0.00 C ATOM 43 OD1 ASP A 4 -18.636 -10.765 -2.693 1.00 0.00 O ATOM 44 OD2 ASP A 4 -18.092 -12.040 -0.987 1.00 0.00 O ATOM 0 H ASP A 4 -16.426 -10.085 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.634 -8.539 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.207 -9.990 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.016 -8.891 -0.983 1.00 0.00 H new ATOM 49 N ASN A 5 -13.812 -10.213 -1.004 1.00 0.00 N ATOM 50 CA ASN A 5 -12.763 -11.193 -0.744 1.00 0.00 C ATOM 51 C ASN A 5 -12.701 -11.541 0.741 1.00 0.00 C ATOM 52 O ASN A 5 -12.490 -12.698 1.107 1.00 0.00 O ATOM 53 CB ASN A 5 -11.413 -10.653 -1.226 1.00 0.00 C ATOM 54 CG ASN A 5 -10.380 -11.747 -1.425 1.00 0.00 C ATOM 55 OD1 ASN A 5 -9.512 -11.570 -2.419 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 -10.364 -12.741 -0.699 1.00 0.00 N flip ATOM 0 H ASN A 5 -13.520 -9.242 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.995 -12.105 -1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.555 -10.118 -2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.036 -9.931 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.048 -12.836 0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.666 -13.470 -0.848 1.00 0.00 H new ATOM 63 N VAL A 6 -12.888 -10.535 1.592 1.00 0.00 N ATOM 64 CA VAL A 6 -12.859 -10.740 3.039 1.00 0.00 C ATOM 65 C VAL A 6 -13.895 -9.870 3.744 1.00 0.00 C ATOM 66 O VAL A 6 -14.615 -9.102 3.105 1.00 0.00 O ATOM 67 CB VAL A 6 -11.469 -10.433 3.626 1.00 0.00 C ATOM 68 CG1 VAL A 6 -10.472 -11.507 3.226 1.00 0.00 C ATOM 69 CG2 VAL A 6 -10.990 -9.059 3.181 1.00 0.00 C ATOM 0 H VAL A 6 -13.061 -9.571 1.306 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.094 -11.791 3.208 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.548 -10.429 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.495 -11.273 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.808 -12.474 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.396 -11.546 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.006 -8.861 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.927 -9.030 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.693 -8.300 3.524 1.00 0.00 H new ATOM 79 N CYS A 7 -13.966 -10.000 5.067 1.00 0.00 N ATOM 80 CA CYS A 7 -14.912 -9.227 5.864 1.00 0.00 C ATOM 81 C CYS A 7 -14.614 -7.734 5.760 1.00 0.00 C ATOM 82 O CYS A 7 -15.227 -7.024 4.963 1.00 0.00 O ATOM 83 CB CYS A 7 -14.867 -9.674 7.326 1.00 0.00 C ATOM 84 SG CYS A 7 -16.050 -8.822 8.396 1.00 0.00 S ATOM 0 H CYS A 7 -13.379 -10.634 5.609 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.913 -9.406 5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -15.058 -10.746 7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.861 -9.512 7.713 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.937 -9.270 9.611 1.00 0.00 H new ATOM 90 N GLN A 8 -13.667 -7.263 6.569 1.00 0.00 N ATOM 91 CA GLN A 8 -13.283 -5.856 6.559 1.00 0.00 C ATOM 92 C GLN A 8 -11.767 -5.708 6.660 1.00 0.00 C ATOM 93 O GLN A 8 -11.088 -6.580 7.201 1.00 0.00 O ATOM 94 CB GLN A 8 -13.958 -5.103 7.702 1.00 0.00 C ATOM 95 CG GLN A 8 -15.476 -5.168 7.661 1.00 0.00 C ATOM 96 CD GLN A 8 -16.130 -4.235 8.662 1.00 0.00 C ATOM 97 OE1 GLN A 8 -15.578 -3.965 9.728 1.00 0.00 O ATOM 98 NE2 GLN A 8 -17.312 -3.735 8.320 1.00 0.00 N ATOM 0 H GLN A 8 -13.153 -7.836 7.238 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.614 -5.426 5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.611 -5.512 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.646 -4.059 7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.819 -4.916 6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.797 -6.190 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.733 -3.986 7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.799 -3.100 8.952 1.00 0.00 H new ATOM 107 N PRO A 9 -11.218 -4.597 6.137 1.00 0.00 N ATOM 108 CA PRO A 9 -9.781 -4.338 6.150 1.00 0.00 C ATOM 109 C PRO A 9 -9.294 -3.616 7.398 1.00 0.00 C ATOM 110 O PRO A 9 -9.980 -3.549 8.419 1.00 0.00 O ATOM 111 CB PRO A 9 -9.614 -3.429 4.950 1.00 0.00 C ATOM 112 CG PRO A 9 -10.844 -2.596 4.979 1.00 0.00 C ATOM 113 CD PRO A 9 -11.948 -3.502 5.469 1.00 0.00 C ATOM 0 HA PRO A 9 -9.209 -5.265 6.130 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.714 -2.820 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.534 -3.997 4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.720 -1.739 5.641 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.073 -2.203 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.616 -2.985 6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.561 -3.870 4.646 1.00 0.00 H new ATOM 121 N THR A 10 -8.090 -3.069 7.272 1.00 0.00 N ATOM 122 CA THR A 10 -7.419 -2.332 8.334 1.00 0.00 C ATOM 123 C THR A 10 -6.005 -2.015 7.874 1.00 0.00 C ATOM 124 O THR A 10 -5.499 -0.910 8.055 1.00 0.00 O ATOM 125 CB THR A 10 -7.361 -3.140 9.645 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.485 -2.502 10.581 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.890 -4.559 9.384 1.00 0.00 C ATOM 0 H THR A 10 -7.544 -3.127 6.413 1.00 0.00 H new ATOM 0 HA THR A 10 -7.981 -1.420 8.535 1.00 0.00 H new ATOM 0 HB THR A 10 -8.366 -3.180 10.064 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.457 -3.023 11.411 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.857 -5.110 10.324 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.580 -5.051 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.894 -4.536 8.942 1.00 0.00 H new ATOM 135 N GLU A 11 -5.388 -3.023 7.272 1.00 0.00 N ATOM 136 CA GLU A 11 -4.044 -2.929 6.728 1.00 0.00 C ATOM 137 C GLU A 11 -3.768 -4.152 5.881 1.00 0.00 C ATOM 138 O GLU A 11 -4.086 -5.274 6.278 1.00 0.00 O ATOM 139 CB GLU A 11 -2.999 -2.820 7.830 1.00 0.00 C ATOM 140 CG GLU A 11 -3.026 -3.984 8.800 1.00 0.00 C ATOM 141 CD GLU A 11 -1.926 -3.908 9.842 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.128 -3.228 10.869 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.863 -4.528 9.629 1.00 0.00 O ATOM 0 H GLU A 11 -5.815 -3.941 7.147 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.981 -2.026 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.009 -2.756 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.158 -1.893 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.994 -4.011 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.929 -4.916 8.244 1.00 0.00 H new ATOM 150 N PHE A 12 -3.185 -3.943 4.719 1.00 0.00 N ATOM 151 CA PHE A 12 -2.877 -5.056 3.843 1.00 0.00 C ATOM 152 C PHE A 12 -1.396 -5.065 3.526 1.00 0.00 C ATOM 153 O PHE A 12 -0.826 -4.057 3.105 1.00 0.00 O ATOM 154 CB PHE A 12 -3.742 -5.032 2.571 1.00 0.00 C ATOM 155 CG PHE A 12 -3.339 -4.029 1.523 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.397 -4.355 0.560 1.00 0.00 C ATOM 157 CD2 PHE A 12 -3.926 -2.773 1.481 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.047 -3.449 -0.422 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.582 -1.863 0.499 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.641 -2.203 -0.454 1.00 0.00 C ATOM 0 H PHE A 12 -2.917 -3.026 4.362 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.120 -5.985 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.723 -6.025 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.774 -4.833 2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.931 -5.329 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.661 -2.503 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.309 -3.715 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.048 -0.889 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.370 -1.495 -1.223 1.00 0.00 H new ATOM 170 N ILE A 13 -0.772 -6.211 3.747 1.00 0.00 N ATOM 171 CA ILE A 13 0.649 -6.351 3.516 1.00 0.00 C ATOM 172 C ILE A 13 0.970 -6.464 2.043 1.00 0.00 C ATOM 173 O ILE A 13 0.768 -7.508 1.428 1.00 0.00 O ATOM 174 CB ILE A 13 1.224 -7.578 4.231 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.821 -7.578 5.705 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.734 -7.586 4.078 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.699 -8.967 6.290 1.00 0.00 C ATOM 0 H ILE A 13 -1.231 -7.056 4.086 1.00 0.00 H new ATOM 0 HA ILE A 13 1.107 -5.448 3.920 1.00 0.00 H new ATOM 0 HB ILE A 13 0.819 -8.483 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.558 -7.014 6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.132 -7.060 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.147 -8.458 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.992 -7.626 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.149 -6.680 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.410 -8.896 7.339 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.059 -9.527 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.657 -9.480 6.211 1.00 0.00 H new ATOM 189 N SER A 14 1.475 -5.384 1.482 1.00 0.00 N ATOM 190 CA SER A 14 1.851 -5.367 0.094 1.00 0.00 C ATOM 191 C SER A 14 3.359 -5.320 -0.023 1.00 0.00 C ATOM 192 O SER A 14 4.009 -4.432 0.526 1.00 0.00 O ATOM 193 CB SER A 14 1.230 -4.144 -0.568 1.00 0.00 C ATOM 194 OG SER A 14 0.905 -3.156 0.394 1.00 0.00 O ATOM 0 H SER A 14 1.633 -4.505 1.974 1.00 0.00 H new ATOM 0 HA SER A 14 1.492 -6.268 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.924 -3.730 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.332 -4.437 -1.111 1.00 0.00 H new ATOM 0 HG SER A 14 -0.069 -3.089 0.478 1.00 0.00 H new ATOM 200 N ARG A 15 3.910 -6.276 -0.748 1.00 0.00 N ATOM 201 CA ARG A 15 5.337 -6.329 -0.966 1.00 0.00 C ATOM 202 C ARG A 15 5.641 -5.758 -2.331 1.00 0.00 C ATOM 203 O ARG A 15 4.804 -5.814 -3.228 1.00 0.00 O ATOM 204 CB ARG A 15 5.867 -7.759 -0.847 1.00 0.00 C ATOM 205 CG ARG A 15 6.317 -8.124 0.558 1.00 0.00 C ATOM 206 CD ARG A 15 6.940 -9.509 0.603 1.00 0.00 C ATOM 207 NE ARG A 15 6.006 -10.545 0.171 1.00 0.00 N ATOM 208 CZ ARG A 15 5.676 -11.598 0.914 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.189 -11.746 2.129 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.828 -12.502 0.443 1.00 0.00 N ATOM 0 H ARG A 15 3.385 -7.027 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 15 5.837 -5.738 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.089 -8.454 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.705 -7.886 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.039 -7.388 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.464 -8.086 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.824 -9.529 -0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.274 -9.723 1.618 1.00 0.00 H new ATOM 0 HE ARG A 15 5.583 -10.456 -0.753 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.839 -11.051 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.933 -12.555 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.429 -12.390 -0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.575 -13.309 1.013 1.00 0.00 H new ATOM 224 N HIS A 16 6.826 -5.202 -2.487 1.00 0.00 N ATOM 225 CA HIS A 16 7.201 -4.594 -3.748 1.00 0.00 C ATOM 226 C HIS A 16 8.688 -4.284 -3.774 1.00 0.00 C ATOM 227 O HIS A 16 9.401 -4.542 -2.808 1.00 0.00 O ATOM 228 CB HIS A 16 6.415 -3.298 -3.916 1.00 0.00 C ATOM 229 CG HIS A 16 6.666 -2.333 -2.804 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.916 -1.823 -2.537 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.838 -1.806 -1.871 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.851 -1.027 -1.492 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.601 -0.997 -1.069 1.00 0.00 N ATOM 0 H HIS A 16 7.542 -5.159 -1.762 1.00 0.00 H new ATOM 0 HA HIS A 16 6.977 -5.287 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.684 -2.833 -4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.350 -3.525 -3.963 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.762 -2.030 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.778 -1.988 -1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.679 -0.489 -1.055 1.00 0.00 H new ATOM 242 N ASN A 17 9.153 -3.729 -4.885 1.00 0.00 N ATOM 243 CA ASN A 17 10.550 -3.349 -5.002 1.00 0.00 C ATOM 244 C ASN A 17 10.683 -1.869 -4.667 1.00 0.00 C ATOM 245 O ASN A 17 9.689 -1.213 -4.363 1.00 0.00 O ATOM 246 CB ASN A 17 11.100 -3.647 -6.400 1.00 0.00 C ATOM 247 CG ASN A 17 10.616 -2.679 -7.450 1.00 0.00 C ATOM 248 OD1 ASN A 17 11.263 -1.673 -7.728 1.00 0.00 O ATOM 249 ND2 ASN A 17 9.485 -2.988 -8.049 1.00 0.00 N ATOM 0 H ASN A 17 8.587 -3.534 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 17 11.140 -3.939 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.189 -3.622 -6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.813 -4.658 -6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.111 -2.380 -8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.982 -3.835 -7.784 1.00 0.00 H new ATOM 256 N ILE A 18 11.892 -1.338 -4.725 1.00 0.00 N ATOM 257 CA ILE A 18 12.109 0.068 -4.398 1.00 0.00 C ATOM 258 C ILE A 18 11.128 0.984 -5.138 1.00 0.00 C ATOM 259 O ILE A 18 10.603 1.937 -4.562 1.00 0.00 O ATOM 260 CB ILE A 18 13.535 0.511 -4.731 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.744 1.963 -4.295 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.790 0.337 -6.216 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.594 2.176 -2.805 1.00 0.00 C ATOM 0 H ILE A 18 12.733 -1.850 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 18 11.943 0.156 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 18 14.249 -0.109 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.739 2.286 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.028 2.597 -4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.806 0.653 -6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.665 -0.712 -6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.082 0.944 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.756 3.228 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.590 1.885 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.328 1.569 -2.275 1.00 0.00 H new ATOM 275 N GLU A 19 10.889 0.686 -6.414 1.00 0.00 N ATOM 276 CA GLU A 19 9.972 1.481 -7.233 1.00 0.00 C ATOM 277 C GLU A 19 8.599 1.508 -6.599 1.00 0.00 C ATOM 278 O GLU A 19 7.874 2.499 -6.678 1.00 0.00 O ATOM 279 CB GLU A 19 9.821 0.873 -8.632 1.00 0.00 C ATOM 280 CG GLU A 19 10.875 1.297 -9.634 1.00 0.00 C ATOM 281 CD GLU A 19 11.042 2.802 -9.715 1.00 0.00 C ATOM 282 OE1 GLU A 19 11.847 3.354 -8.936 1.00 0.00 O ATOM 283 OE2 GLU A 19 10.368 3.430 -10.559 1.00 0.00 O ATOM 0 H GLU A 19 11.317 -0.100 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 19 10.386 2.487 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.842 -0.213 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.840 1.142 -9.024 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.829 0.845 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.608 0.913 -10.619 1.00 0.00 H new ATOM 290 N GLY A 20 8.262 0.402 -5.964 1.00 0.00 N ATOM 291 CA GLY A 20 6.970 0.272 -5.337 1.00 0.00 C ATOM 292 C GLY A 20 6.121 -0.770 -6.031 1.00 0.00 C ATOM 293 O GLY A 20 5.050 -1.132 -5.543 1.00 0.00 O ATOM 0 H GLY A 20 8.866 -0.415 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.098 -0.000 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.456 1.233 -5.356 1.00 0.00 H new ATOM 297 N ILE A 21 6.596 -1.246 -7.185 1.00 0.00 N ATOM 298 CA ILE A 21 5.886 -2.260 -7.936 1.00 0.00 C ATOM 299 C ILE A 21 5.625 -3.467 -7.062 1.00 0.00 C ATOM 300 O ILE A 21 6.553 -4.135 -6.608 1.00 0.00 O ATOM 301 CB ILE A 21 6.670 -2.701 -9.165 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.247 -1.473 -9.888 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.764 -3.534 -10.058 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.245 -0.685 -10.697 1.00 0.00 C ATOM 0 H ILE A 21 7.470 -0.939 -7.612 1.00 0.00 H new ATOM 0 HA ILE A 21 4.943 -1.822 -8.264 1.00 0.00 H new ATOM 0 HB ILE A 21 7.517 -3.324 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.696 -0.811 -9.148 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.049 -1.802 -10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.318 -3.854 -10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.418 -4.410 -9.509 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.906 -2.936 -10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.744 0.161 -11.170 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.812 -1.326 -11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.454 -0.320 -10.041 1.00 0.00 H new ATOM 316 N PHE A 22 4.359 -3.766 -6.881 1.00 0.00 N ATOM 317 CA PHE A 22 3.935 -4.847 -6.019 1.00 0.00 C ATOM 318 C PHE A 22 4.395 -6.221 -6.481 1.00 0.00 C ATOM 319 O PHE A 22 3.910 -6.757 -7.473 1.00 0.00 O ATOM 320 CB PHE A 22 2.421 -4.824 -5.915 1.00 0.00 C ATOM 321 CG PHE A 22 1.889 -3.691 -5.081 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.547 -3.275 -3.934 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.723 -3.046 -5.443 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.044 -2.237 -3.172 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.216 -2.015 -4.686 1.00 0.00 C ATOM 326 CZ PHE A 22 0.875 -1.610 -3.550 1.00 0.00 C ATOM 0 H PHE A 22 3.591 -3.265 -7.329 1.00 0.00 H new ATOM 0 HA PHE A 22 4.404 -4.683 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.998 -4.755 -6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.081 -5.768 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.461 -3.766 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.200 -3.356 -6.336 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.566 -1.917 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.699 -1.525 -4.984 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.478 -0.802 -2.954 1.00 0.00 H new ATOM 336 N THR A 23 5.338 -6.784 -5.743 1.00 0.00 N ATOM 337 CA THR A 23 5.825 -8.119 -6.022 1.00 0.00 C ATOM 338 C THR A 23 4.948 -9.109 -5.268 1.00 0.00 C ATOM 339 O THR A 23 5.105 -10.325 -5.366 1.00 0.00 O ATOM 340 CB THR A 23 7.293 -8.276 -5.597 1.00 0.00 C ATOM 341 OG1 THR A 23 7.416 -8.114 -4.178 1.00 0.00 O ATOM 342 CG2 THR A 23 8.152 -7.244 -6.311 1.00 0.00 C ATOM 0 H THR A 23 5.781 -6.332 -4.943 1.00 0.00 H new ATOM 0 HA THR A 23 5.777 -8.307 -7.095 1.00 0.00 H new ATOM 0 HB THR A 23 7.634 -9.275 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.355 -8.218 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.192 -7.361 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.073 -7.387 -7.389 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.808 -6.243 -6.052 1.00 0.00 H new ATOM 350 N PHE A 24 4.011 -8.535 -4.510 1.00 0.00 N ATOM 351 CA PHE A 24 3.050 -9.279 -3.710 1.00 0.00 C ATOM 352 C PHE A 24 2.054 -8.309 -3.084 1.00 0.00 C ATOM 353 O PHE A 24 2.385 -7.162 -2.802 1.00 0.00 O ATOM 354 CB PHE A 24 3.747 -10.084 -2.609 1.00 0.00 C ATOM 355 CG PHE A 24 2.807 -10.561 -1.530 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.555 -9.779 -0.408 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.157 -11.780 -1.647 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.677 -10.205 0.570 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.279 -12.211 -0.668 1.00 0.00 C ATOM 360 CZ PHE A 24 1.039 -11.421 0.441 1.00 0.00 C ATOM 0 H PHE A 24 3.901 -7.524 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 24 2.529 -9.980 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.242 -10.946 -3.057 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.525 -9.469 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.052 -8.826 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.338 -12.400 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.490 -9.586 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.781 -13.164 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.353 -11.756 1.205 1.00 0.00 H new ATOM 370 N VAL A 25 0.824 -8.765 -2.906 1.00 0.00 N ATOM 371 CA VAL A 25 -0.218 -7.961 -2.291 1.00 0.00 C ATOM 372 C VAL A 25 -1.120 -8.849 -1.459 1.00 0.00 C ATOM 373 O VAL A 25 -1.639 -9.856 -1.935 1.00 0.00 O ATOM 374 CB VAL A 25 -1.073 -7.205 -3.328 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.831 -6.074 -2.668 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.223 -6.680 -4.468 1.00 0.00 C ATOM 0 H VAL A 25 0.522 -9.699 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 25 0.277 -7.218 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.791 -7.911 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.429 -5.552 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.486 -6.477 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.125 -5.377 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.856 -6.152 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.530 -5.996 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.270 -7.514 -4.968 1.00 0.00 H new ATOM 386 N ASP A 26 -1.277 -8.481 -0.206 1.00 0.00 N ATOM 387 CA ASP A 26 -2.114 -9.228 0.709 1.00 0.00 C ATOM 388 C ASP A 26 -3.586 -9.065 0.318 1.00 0.00 C ATOM 389 O ASP A 26 -4.045 -7.960 0.042 1.00 0.00 O ATOM 390 CB ASP A 26 -1.834 -8.760 2.134 1.00 0.00 C ATOM 391 CG ASP A 26 -2.978 -9.032 3.089 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.534 -10.149 3.048 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.316 -8.129 3.881 1.00 0.00 O ATOM 0 H ASP A 26 -0.831 -7.661 0.206 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.886 -10.292 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.936 -9.256 2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.625 -7.690 2.123 1.00 0.00 H new ATOM 398 N HIS A 27 -4.305 -10.186 0.287 1.00 0.00 N ATOM 399 CA HIS A 27 -5.716 -10.222 -0.119 1.00 0.00 C ATOM 400 C HIS A 27 -6.605 -9.209 0.600 1.00 0.00 C ATOM 401 O HIS A 27 -7.738 -8.984 0.180 1.00 0.00 O ATOM 402 CB HIS A 27 -6.276 -11.624 0.082 1.00 0.00 C ATOM 403 CG HIS A 27 -6.312 -12.048 1.509 1.00 0.00 C ATOM 404 ND1 HIS A 27 -5.189 -12.157 2.303 1.00 0.00 N ATOM 405 CD2 HIS A 27 -7.352 -12.391 2.282 1.00 0.00 C ATOM 406 CE1 HIS A 27 -5.547 -12.553 3.512 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.859 -12.702 3.526 1.00 0.00 N ATOM 0 H HIS A 27 -3.928 -11.099 0.543 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.729 -9.943 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.285 -11.666 -0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.672 -12.333 -0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.389 -12.418 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.881 -12.725 4.345 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.415 -12.999 4.328 1.00 0.00 H new ATOM 416 N ARG A 28 -6.122 -8.608 1.673 1.00 0.00 N ATOM 417 CA ARG A 28 -6.922 -7.624 2.386 1.00 0.00 C ATOM 418 C ARG A 28 -7.095 -6.378 1.530 1.00 0.00 C ATOM 419 O ARG A 28 -8.049 -5.617 1.689 1.00 0.00 O ATOM 420 CB ARG A 28 -6.289 -7.275 3.726 1.00 0.00 C ATOM 421 CG ARG A 28 -6.662 -8.255 4.821 1.00 0.00 C ATOM 422 CD ARG A 28 -7.198 -7.538 6.049 1.00 0.00 C ATOM 423 NE ARG A 28 -7.799 -8.466 7.004 1.00 0.00 N ATOM 424 CZ ARG A 28 -7.396 -8.592 8.265 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.391 -7.858 8.721 1.00 0.00 N ATOM 426 NH2 ARG A 28 -8.000 -9.455 9.070 1.00 0.00 N ATOM 0 H ARG A 28 -5.196 -8.779 2.066 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.904 -8.053 2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.205 -7.254 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.599 -6.272 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.413 -8.951 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.788 -8.846 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.388 -6.993 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.940 -6.801 5.743 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.572 -9.051 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.924 -7.194 8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.085 -7.958 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.773 -10.022 8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.691 -9.552 10.037 1.00 0.00 H new ATOM 440 N CYS A 29 -6.146 -6.190 0.624 1.00 0.00 N ATOM 441 CA CYS A 29 -6.120 -5.059 -0.283 1.00 0.00 C ATOM 442 C CYS A 29 -7.450 -4.826 -1.003 1.00 0.00 C ATOM 443 O CYS A 29 -7.738 -3.706 -1.402 1.00 0.00 O ATOM 444 CB CYS A 29 -5.019 -5.278 -1.309 1.00 0.00 C ATOM 445 SG CYS A 29 -5.283 -6.712 -2.371 1.00 0.00 S ATOM 0 H CYS A 29 -5.362 -6.831 0.499 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.932 -4.168 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.934 -4.388 -1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.069 -5.394 -0.788 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.216 -6.445 -3.236 1.00 0.00 H new ATOM 451 N VAL A 30 -8.254 -5.865 -1.202 1.00 0.00 N ATOM 452 CA VAL A 30 -9.526 -5.671 -1.892 1.00 0.00 C ATOM 453 C VAL A 30 -10.550 -5.024 -0.958 1.00 0.00 C ATOM 454 O VAL A 30 -11.417 -4.278 -1.396 1.00 0.00 O ATOM 455 CB VAL A 30 -10.086 -6.983 -2.490 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.095 -8.124 -2.336 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.416 -7.342 -1.865 1.00 0.00 C ATOM 0 H VAL A 30 -8.058 -6.821 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.333 -5.000 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.246 -6.817 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.517 -9.033 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.169 -7.874 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.887 -8.285 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.786 -8.268 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.289 -7.475 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.132 -6.541 -2.049 1.00 0.00 H new ATOM 467 N ALA A 31 -10.471 -5.337 0.325 1.00 0.00 N ATOM 468 CA ALA A 31 -11.373 -4.739 1.296 1.00 0.00 C ATOM 469 C ALA A 31 -10.865 -3.356 1.670 1.00 0.00 C ATOM 470 O ALA A 31 -11.631 -2.466 2.037 1.00 0.00 O ATOM 471 CB ALA A 31 -11.482 -5.609 2.532 1.00 0.00 C ATOM 0 H ALA A 31 -9.798 -5.996 0.716 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.365 -4.654 0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.162 -5.143 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.865 -6.591 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.498 -5.720 2.987 1.00 0.00 H new ATOM 477 N THR A 32 -9.554 -3.198 1.539 1.00 0.00 N ATOM 478 CA THR A 32 -8.865 -1.959 1.877 1.00 0.00 C ATOM 479 C THR A 32 -8.949 -0.913 0.772 1.00 0.00 C ATOM 480 O THR A 32 -9.453 0.189 0.983 1.00 0.00 O ATOM 481 CB THR A 32 -7.385 -2.257 2.131 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.248 -3.382 3.006 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.687 -1.059 2.730 1.00 0.00 C ATOM 0 H THR A 32 -8.935 -3.931 1.193 1.00 0.00 H new ATOM 0 HA THR A 32 -9.357 -1.558 2.763 1.00 0.00 H new ATOM 0 HB THR A 32 -6.919 -2.487 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.653 -4.171 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.637 -1.297 2.901 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.761 -0.215 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.159 -0.799 3.678 1.00 0.00 H new ATOM 491 N VAL A 33 -8.452 -1.267 -0.406 1.00 0.00 N ATOM 492 CA VAL A 33 -8.441 -0.358 -1.541 1.00 0.00 C ATOM 493 C VAL A 33 -9.288 -0.884 -2.688 1.00 0.00 C ATOM 494 O VAL A 33 -9.226 -0.372 -3.803 1.00 0.00 O ATOM 495 CB VAL A 33 -7.004 -0.108 -2.026 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.216 0.597 -0.940 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.332 -1.415 -2.397 1.00 0.00 C ATOM 0 H VAL A 33 -8.049 -2.184 -0.599 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.872 0.584 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.036 0.523 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.197 0.773 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.690 1.550 -0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.193 -0.025 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.316 -1.218 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.302 -2.069 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.895 -1.900 -3.195 1.00 0.00 H new ATOM 507 N GLY A 34 -10.061 -1.926 -2.412 1.00 0.00 N ATOM 508 CA GLY A 34 -10.934 -2.494 -3.436 1.00 0.00 C ATOM 509 C GLY A 34 -10.186 -3.331 -4.452 1.00 0.00 C ATOM 510 O GLY A 34 -10.732 -4.283 -5.010 1.00 0.00 O ATOM 0 H GLY A 34 -10.104 -2.390 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.695 -3.109 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.454 -1.686 -3.951 1.00 0.00 H new ATOM 514 N TYR A 35 -8.935 -2.973 -4.688 1.00 0.00 N ATOM 515 CA TYR A 35 -8.097 -3.670 -5.647 1.00 0.00 C ATOM 516 C TYR A 35 -7.644 -5.026 -5.138 1.00 0.00 C ATOM 517 O TYR A 35 -6.959 -5.118 -4.120 1.00 0.00 O ATOM 518 CB TYR A 35 -6.882 -2.819 -5.964 1.00 0.00 C ATOM 519 CG TYR A 35 -7.254 -1.535 -6.635 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.970 -1.541 -7.820 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.914 -0.322 -6.073 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.333 -0.370 -8.431 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.272 0.860 -6.676 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.983 0.836 -7.859 1.00 0.00 C ATOM 525 OH TYR A 35 -8.344 2.015 -8.469 1.00 0.00 O ATOM 0 H TYR A 35 -8.473 -2.193 -4.221 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.692 -3.838 -6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.341 -2.603 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.204 -3.381 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.247 -2.483 -8.269 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.359 -0.301 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.890 -0.391 -9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.998 1.803 -6.226 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.951 2.514 -7.883 1.00 0.00 H new ATOM 535 N GLN A 36 -8.033 -6.078 -5.847 1.00 0.00 N ATOM 536 CA GLN A 36 -7.626 -7.420 -5.486 1.00 0.00 C ATOM 537 C GLN A 36 -6.103 -7.485 -5.511 1.00 0.00 C ATOM 538 O GLN A 36 -5.469 -6.646 -6.149 1.00 0.00 O ATOM 539 CB GLN A 36 -8.217 -8.428 -6.473 1.00 0.00 C ATOM 540 CG GLN A 36 -9.722 -8.305 -6.642 1.00 0.00 C ATOM 541 CD GLN A 36 -10.274 -9.278 -7.665 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.735 -10.368 -7.857 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.355 -8.886 -8.330 1.00 0.00 N ATOM 0 H GLN A 36 -8.629 -6.023 -6.673 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.989 -7.667 -4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.739 -8.296 -7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.979 -9.437 -6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.207 -8.479 -5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.968 -7.287 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.769 -7.974 -8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.771 -9.497 -9.032 1.00 0.00 H new ATOM 552 N PRO A 37 -5.479 -8.443 -4.814 1.00 0.00 N ATOM 553 CA PRO A 37 -4.030 -8.544 -4.806 1.00 0.00 C ATOM 554 C PRO A 37 -3.450 -8.481 -6.210 1.00 0.00 C ATOM 555 O PRO A 37 -2.412 -7.870 -6.426 1.00 0.00 O ATOM 556 CB PRO A 37 -3.741 -9.890 -4.167 1.00 0.00 C ATOM 557 CG PRO A 37 -4.992 -10.339 -3.502 1.00 0.00 C ATOM 558 CD PRO A 37 -6.120 -9.470 -3.984 1.00 0.00 C ATOM 0 HA PRO A 37 -3.575 -7.715 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.424 -10.613 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.930 -9.806 -3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.192 -11.385 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.893 -10.267 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.845 -10.047 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.659 -9.023 -3.149 1.00 0.00 H new ATOM 566 N GLN A 38 -4.128 -9.118 -7.162 1.00 0.00 N ATOM 567 CA GLN A 38 -3.678 -9.109 -8.550 1.00 0.00 C ATOM 568 C GLN A 38 -3.897 -7.731 -9.166 1.00 0.00 C ATOM 569 O GLN A 38 -3.156 -7.303 -10.051 1.00 0.00 O ATOM 570 CB GLN A 38 -4.415 -10.168 -9.363 1.00 0.00 C ATOM 571 CG GLN A 38 -5.917 -10.083 -9.216 1.00 0.00 C ATOM 572 CD GLN A 38 -6.625 -11.347 -9.654 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.983 -11.499 -10.821 1.00 0.00 O ATOM 574 NE2 GLN A 38 -6.836 -12.260 -8.717 1.00 0.00 N ATOM 0 H GLN A 38 -4.986 -9.644 -6.998 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.613 -9.340 -8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.151 -10.060 -10.415 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.080 -11.157 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.164 -9.877 -8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.287 -9.243 -9.804 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.522 -12.092 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.313 -13.131 -8.952 1.00 0.00 H new ATOM 583 N GLU A 39 -4.927 -7.044 -8.678 1.00 0.00 N ATOM 584 CA GLU A 39 -5.267 -5.708 -9.143 1.00 0.00 C ATOM 585 C GLU A 39 -4.199 -4.710 -8.711 1.00 0.00 C ATOM 586 O GLU A 39 -4.204 -3.553 -9.129 1.00 0.00 O ATOM 587 CB GLU A 39 -6.622 -5.308 -8.559 1.00 0.00 C ATOM 588 CG GLU A 39 -7.713 -5.110 -9.595 1.00 0.00 C ATOM 589 CD GLU A 39 -9.081 -5.512 -9.081 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.582 -4.856 -8.145 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.651 -6.489 -9.611 1.00 0.00 O ATOM 0 H GLU A 39 -5.547 -7.400 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.320 -5.706 -10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.942 -6.075 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.502 -4.384 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.736 -4.063 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.476 -5.695 -10.484 1.00 0.00 H new ATOM 598 N LEU A 40 -3.284 -5.179 -7.869 1.00 0.00 N ATOM 599 CA LEU A 40 -2.203 -4.353 -7.358 1.00 0.00 C ATOM 600 C LEU A 40 -0.857 -4.895 -7.830 1.00 0.00 C ATOM 601 O LEU A 40 0.043 -4.142 -8.197 1.00 0.00 O ATOM 602 CB LEU A 40 -2.249 -4.351 -5.828 1.00 0.00 C ATOM 603 CG LEU A 40 -2.948 -3.172 -5.137 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.458 -2.133 -6.123 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.086 -3.693 -4.284 1.00 0.00 C ATOM 0 H LEU A 40 -3.273 -6.139 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.322 -3.336 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.742 -5.268 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.223 -4.394 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.210 -2.671 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.943 -1.323 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.621 -1.735 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.176 -2.596 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.584 -2.857 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.801 -4.221 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.693 -4.376 -3.531 1.00 0.00 H new ATOM 617 N LEU A 41 -0.745 -6.217 -7.824 1.00 0.00 N ATOM 618 CA LEU A 41 0.474 -6.908 -8.228 1.00 0.00 C ATOM 619 C LEU A 41 0.981 -6.425 -9.579 1.00 0.00 C ATOM 620 O LEU A 41 0.222 -6.317 -10.543 1.00 0.00 O ATOM 621 CB LEU A 41 0.213 -8.417 -8.275 1.00 0.00 C ATOM 622 CG LEU A 41 0.375 -9.145 -6.937 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.619 -10.293 -6.821 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.802 -9.650 -6.781 1.00 0.00 C ATOM 0 H LEU A 41 -1.498 -6.842 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 41 1.246 -6.686 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.800 -8.584 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.892 -8.865 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 41 0.168 -8.439 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.485 -10.795 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.635 -9.903 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.450 -11.004 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.903 -10.165 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.034 -10.340 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.492 -8.807 -6.813 1.00 0.00 H new ATOM 636 N GLY A 42 2.275 -6.135 -9.635 1.00 0.00 N ATOM 637 CA GLY A 42 2.887 -5.672 -10.860 1.00 0.00 C ATOM 638 C GLY A 42 2.696 -4.189 -11.074 1.00 0.00 C ATOM 639 O GLY A 42 3.221 -3.618 -12.030 1.00 0.00 O ATOM 0 H GLY A 42 2.914 -6.214 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.953 -5.899 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.462 -6.216 -11.704 1.00 0.00 H new ATOM 643 N LYS A 43 1.941 -3.563 -10.181 1.00 0.00 N ATOM 644 CA LYS A 43 1.680 -2.138 -10.273 1.00 0.00 C ATOM 645 C LYS A 43 2.497 -1.363 -9.268 1.00 0.00 C ATOM 646 O LYS A 43 2.822 -1.859 -8.193 1.00 0.00 O ATOM 647 CB LYS A 43 0.216 -1.835 -10.015 1.00 0.00 C ATOM 648 CG LYS A 43 -0.737 -2.535 -10.937 1.00 0.00 C ATOM 649 CD LYS A 43 -1.615 -1.526 -11.600 1.00 0.00 C ATOM 650 CE LYS A 43 -2.505 -2.155 -12.660 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.286 -1.133 -13.410 1.00 0.00 N ATOM 0 H LYS A 43 1.499 -4.023 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 43 1.954 -1.836 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.023 -2.111 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.060 -0.760 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.185 -3.102 -11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.342 -3.249 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.236 -1.036 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.998 -0.753 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.891 -2.726 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.189 -2.860 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.879 -1.604 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.891 -0.605 -12.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.633 -0.475 -13.883 1.00 0.00 H new ATOM 665 N ASN A 44 2.799 -0.130 -9.618 1.00 0.00 N ATOM 666 CA ASN A 44 3.556 0.737 -8.738 1.00 0.00 C ATOM 667 C ASN A 44 2.635 1.267 -7.654 1.00 0.00 C ATOM 668 O ASN A 44 1.660 1.959 -7.933 1.00 0.00 O ATOM 669 CB ASN A 44 4.174 1.894 -9.526 1.00 0.00 C ATOM 670 CG ASN A 44 5.268 2.605 -8.764 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.002 3.465 -7.927 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.506 2.260 -9.072 1.00 0.00 N ATOM 0 H ASN A 44 2.532 0.295 -10.506 1.00 0.00 H new ATOM 0 HA ASN A 44 4.367 0.170 -8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.579 1.513 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.393 2.610 -9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.292 2.714 -8.607 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.675 1.540 -9.774 1.00 0.00 H new ATOM 679 N ILE A 45 2.936 0.905 -6.420 1.00 0.00 N ATOM 680 CA ILE A 45 2.151 1.326 -5.278 1.00 0.00 C ATOM 681 C ILE A 45 1.861 2.826 -5.318 1.00 0.00 C ATOM 682 O ILE A 45 0.729 3.253 -5.097 1.00 0.00 O ATOM 683 CB ILE A 45 2.896 0.987 -3.982 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.064 1.351 -2.762 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.223 1.708 -3.959 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.709 0.961 -1.450 1.00 0.00 C ATOM 0 H ILE A 45 3.731 0.311 -6.183 1.00 0.00 H new ATOM 0 HA ILE A 45 1.201 0.794 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 45 3.073 -0.088 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.884 2.426 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.091 0.865 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.752 1.467 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.822 1.395 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.054 2.784 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.059 1.251 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.864 -0.118 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.669 1.468 -1.352 1.00 0.00 H new ATOM 698 N VAL A 46 2.893 3.618 -5.598 1.00 0.00 N ATOM 699 CA VAL A 46 2.742 5.067 -5.656 1.00 0.00 C ATOM 700 C VAL A 46 1.854 5.499 -6.824 1.00 0.00 C ATOM 701 O VAL A 46 1.224 6.551 -6.761 1.00 0.00 O ATOM 702 CB VAL A 46 4.097 5.815 -5.695 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.231 4.903 -5.263 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.364 6.432 -7.060 1.00 0.00 C ATOM 0 H VAL A 46 3.837 3.282 -5.787 1.00 0.00 H new ATOM 0 HA VAL A 46 2.248 5.350 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 46 4.040 6.638 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.172 5.451 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.051 4.556 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.285 4.046 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.324 6.947 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.385 5.647 -7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.574 7.144 -7.298 1.00 0.00 H new ATOM 714 N GLU A 47 1.829 4.713 -7.904 1.00 0.00 N ATOM 715 CA GLU A 47 0.979 5.049 -9.046 1.00 0.00 C ATOM 716 C GLU A 47 -0.449 5.285 -8.574 1.00 0.00 C ATOM 717 O GLU A 47 -1.186 6.082 -9.154 1.00 0.00 O ATOM 718 CB GLU A 47 1.011 3.950 -10.109 1.00 0.00 C ATOM 719 CG GLU A 47 2.057 4.175 -11.190 1.00 0.00 C ATOM 720 CD GLU A 47 1.988 3.139 -12.294 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.509 2.021 -12.093 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.414 3.443 -13.360 1.00 0.00 O ATOM 0 H GLU A 47 2.375 3.858 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 47 1.365 5.961 -9.501 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.203 2.993 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.028 3.879 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.922 5.168 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.049 4.155 -10.740 1.00 0.00 H new ATOM 729 N PHE A 48 -0.830 4.581 -7.511 1.00 0.00 N ATOM 730 CA PHE A 48 -2.155 4.735 -6.922 1.00 0.00 C ATOM 731 C PHE A 48 -2.116 5.885 -5.938 1.00 0.00 C ATOM 732 O PHE A 48 -3.080 6.633 -5.781 1.00 0.00 O ATOM 733 CB PHE A 48 -2.582 3.462 -6.195 1.00 0.00 C ATOM 734 CG PHE A 48 -2.699 2.266 -7.087 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.579 1.523 -7.416 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.930 1.887 -7.595 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.689 0.415 -8.242 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.042 0.784 -8.417 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.921 0.050 -8.737 1.00 0.00 C ATOM 0 H PHE A 48 -0.238 3.897 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.875 4.933 -7.716 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.861 3.246 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.542 3.637 -5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.613 1.808 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.811 2.460 -7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.811 -0.160 -8.496 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.007 0.497 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.009 -0.815 -9.378 1.00 0.00 H new ATOM 749 N CYS A 49 -0.973 6.003 -5.275 1.00 0.00 N ATOM 750 CA CYS A 49 -0.746 7.061 -4.295 1.00 0.00 C ATOM 751 C CYS A 49 -0.950 8.435 -4.922 1.00 0.00 C ATOM 752 O CYS A 49 -0.743 8.614 -6.121 1.00 0.00 O ATOM 753 CB CYS A 49 0.678 6.972 -3.745 1.00 0.00 C ATOM 754 SG CYS A 49 1.185 8.404 -2.765 1.00 0.00 S ATOM 0 H CYS A 49 -0.181 5.373 -5.399 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.464 6.928 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.762 6.076 -3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.370 6.853 -4.578 1.00 0.00 H new ATOM 0 HG CYS A 49 1.066 9.483 -3.480 1.00 0.00 H new ATOM 760 N HIS A 50 -1.363 9.402 -4.107 1.00 0.00 N ATOM 761 CA HIS A 50 -1.557 10.761 -4.590 1.00 0.00 C ATOM 762 C HIS A 50 -0.215 11.308 -5.065 1.00 0.00 C ATOM 763 O HIS A 50 0.785 11.150 -4.373 1.00 0.00 O ATOM 764 CB HIS A 50 -2.141 11.641 -3.481 1.00 0.00 C ATOM 765 CG HIS A 50 -2.599 12.991 -3.940 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.776 13.891 -4.583 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.810 13.596 -3.839 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.456 14.990 -4.857 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.692 14.836 -4.417 1.00 0.00 N ATOM 0 H HIS A 50 -1.568 9.269 -3.117 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.262 10.762 -5.421 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.984 11.120 -3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.389 11.771 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.699 13.180 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.067 15.866 -5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.438 15.527 -4.494 1.00 0.00 H new ATOM 778 N PRO A 51 -0.165 11.938 -6.250 1.00 0.00 N ATOM 779 CA PRO A 51 1.079 12.471 -6.814 1.00 0.00 C ATOM 780 C PRO A 51 1.940 13.226 -5.804 1.00 0.00 C ATOM 781 O PRO A 51 3.104 12.881 -5.590 1.00 0.00 O ATOM 782 CB PRO A 51 0.577 13.405 -7.908 1.00 0.00 C ATOM 783 CG PRO A 51 -0.679 12.765 -8.372 1.00 0.00 C ATOM 784 CD PRO A 51 -1.315 12.201 -7.136 1.00 0.00 C ATOM 0 HA PRO A 51 1.736 11.675 -7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.396 14.409 -7.525 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.301 13.498 -8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.334 13.489 -8.856 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.475 11.982 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.015 12.905 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.873 11.290 -7.351 1.00 0.00 H new ATOM 792 N GLU A 52 1.363 14.248 -5.182 1.00 0.00 N ATOM 793 CA GLU A 52 2.082 15.059 -4.205 1.00 0.00 C ATOM 794 C GLU A 52 2.612 14.218 -3.044 1.00 0.00 C ATOM 795 O GLU A 52 3.533 14.631 -2.340 1.00 0.00 O ATOM 796 CB GLU A 52 1.160 16.150 -3.665 1.00 0.00 C ATOM 797 CG GLU A 52 0.603 17.066 -4.741 1.00 0.00 C ATOM 798 CD GLU A 52 -0.287 18.155 -4.175 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.496 17.900 -3.994 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.225 19.264 -3.915 1.00 0.00 O ATOM 0 H GLU A 52 0.397 14.536 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 52 2.938 15.506 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.331 15.683 -3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.708 16.749 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.428 17.523 -5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.035 16.474 -5.459 1.00 0.00 H new ATOM 807 N ASP A 53 2.029 13.041 -2.852 1.00 0.00 N ATOM 808 CA ASP A 53 2.430 12.157 -1.764 1.00 0.00 C ATOM 809 C ASP A 53 3.319 11.003 -2.235 1.00 0.00 C ATOM 810 O ASP A 53 3.962 10.351 -1.412 1.00 0.00 O ATOM 811 CB ASP A 53 1.192 11.595 -1.066 1.00 0.00 C ATOM 812 CG ASP A 53 0.343 12.679 -0.429 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.607 13.033 0.739 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.588 13.175 -1.100 1.00 0.00 O ATOM 0 H ASP A 53 1.276 12.676 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 53 3.017 12.757 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.590 11.044 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.502 10.884 -0.301 1.00 0.00 H new ATOM 819 N GLN A 54 3.360 10.740 -3.542 1.00 0.00 N ATOM 820 CA GLN A 54 4.177 9.652 -4.057 1.00 0.00 C ATOM 821 C GLN A 54 5.636 9.858 -3.686 1.00 0.00 C ATOM 822 O GLN A 54 6.362 8.903 -3.435 1.00 0.00 O ATOM 823 CB GLN A 54 4.049 9.534 -5.569 1.00 0.00 C ATOM 824 CG GLN A 54 2.624 9.550 -6.067 1.00 0.00 C ATOM 825 CD GLN A 54 2.535 9.411 -7.575 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.436 9.824 -8.303 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.441 8.832 -8.050 1.00 0.00 N ATOM 0 H GLN A 54 2.843 11.260 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 54 3.817 8.728 -3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.595 10.354 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.526 8.609 -5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.069 8.738 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.146 10.481 -5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.718 8.504 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.322 8.715 -9.056 1.00 0.00 H new ATOM 836 N GLN A 55 6.057 11.113 -3.661 1.00 0.00 N ATOM 837 CA GLN A 55 7.429 11.455 -3.318 1.00 0.00 C ATOM 838 C GLN A 55 7.781 10.922 -1.936 1.00 0.00 C ATOM 839 O GLN A 55 8.846 10.346 -1.720 1.00 0.00 O ATOM 840 CB GLN A 55 7.598 12.972 -3.342 1.00 0.00 C ATOM 841 CG GLN A 55 9.026 13.438 -3.558 1.00 0.00 C ATOM 842 CD GLN A 55 10.029 12.746 -2.659 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.604 11.655 -3.151 1.00 0.00 O flip ATOM 844 NE2 GLN A 55 10.291 13.189 -1.540 1.00 0.00 N flip ATOM 0 H GLN A 55 5.465 11.915 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 55 8.098 11.000 -4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.970 13.383 -4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.233 13.381 -2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.303 13.266 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.079 14.513 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.824 14.031 -1.203 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.975 12.714 -0.951 1.00 0.00 H new ATOM 853 N LEU A 56 6.857 11.118 -1.016 1.00 0.00 N ATOM 854 CA LEU A 56 7.015 10.693 0.359 1.00 0.00 C ATOM 855 C LEU A 56 6.980 9.177 0.450 1.00 0.00 C ATOM 856 O LEU A 56 7.729 8.570 1.217 1.00 0.00 O ATOM 857 CB LEU A 56 5.906 11.319 1.206 1.00 0.00 C ATOM 858 CG LEU A 56 5.595 10.616 2.524 1.00 0.00 C ATOM 859 CD1 LEU A 56 6.062 11.454 3.703 1.00 0.00 C ATOM 860 CD2 LEU A 56 4.105 10.330 2.616 1.00 0.00 C ATOM 0 H LEU A 56 5.968 11.581 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 56 7.981 11.026 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.181 12.351 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.994 11.351 0.610 1.00 0.00 H new ATOM 0 HG LEU A 56 6.134 9.669 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.831 10.935 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.138 11.612 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.552 12.417 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.888 9.828 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.551 11.267 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.806 9.689 1.787 1.00 0.00 H new ATOM 872 N LEU A 57 6.101 8.572 -0.338 1.00 0.00 N ATOM 873 CA LEU A 57 5.974 7.126 -0.367 1.00 0.00 C ATOM 874 C LEU A 57 7.282 6.510 -0.837 1.00 0.00 C ATOM 875 O LEU A 57 7.876 5.671 -0.158 1.00 0.00 O ATOM 876 CB LEU A 57 4.834 6.720 -1.300 1.00 0.00 C ATOM 877 CG LEU A 57 4.449 5.242 -1.250 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.147 4.829 0.177 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.253 4.969 -2.151 1.00 0.00 C ATOM 0 H LEU A 57 5.465 9.064 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 57 5.749 6.764 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.955 7.317 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.115 6.972 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 57 5.290 4.651 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.874 3.774 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.029 4.989 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.320 5.426 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.994 3.911 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.404 5.566 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.503 5.234 -3.178 1.00 0.00 H new ATOM 891 N ARG A 58 7.714 6.940 -2.012 1.00 0.00 N ATOM 892 CA ARG A 58 8.962 6.474 -2.594 1.00 0.00 C ATOM 893 C ARG A 58 10.112 6.752 -1.638 1.00 0.00 C ATOM 894 O ARG A 58 11.017 5.933 -1.486 1.00 0.00 O ATOM 895 CB ARG A 58 9.222 7.175 -3.928 1.00 0.00 C ATOM 896 CG ARG A 58 8.095 7.011 -4.933 1.00 0.00 C ATOM 897 CD ARG A 58 8.168 8.063 -6.028 1.00 0.00 C ATOM 898 NE ARG A 58 9.328 7.876 -6.894 1.00 0.00 N ATOM 899 CZ ARG A 58 9.525 8.559 -8.018 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.645 9.474 -8.404 1.00 0.00 N ATOM 901 NH2 ARG A 58 10.602 8.331 -8.756 1.00 0.00 N ATOM 0 H ARG A 58 7.213 7.618 -2.586 1.00 0.00 H new ATOM 0 HA ARG A 58 8.887 5.401 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.382 8.238 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.143 6.784 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.144 6.017 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.136 7.083 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.259 8.025 -6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.210 9.054 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 58 10.026 7.183 -6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.816 9.655 -7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.798 9.997 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.282 7.630 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.750 8.856 -9.618 1.00 0.00 H new ATOM 915 N ASP A 59 10.059 7.916 -0.991 1.00 0.00 N ATOM 916 CA ASP A 59 11.092 8.309 -0.039 1.00 0.00 C ATOM 917 C ASP A 59 11.253 7.245 1.021 1.00 0.00 C ATOM 918 O ASP A 59 12.369 6.839 1.341 1.00 0.00 O ATOM 919 CB ASP A 59 10.746 9.647 0.607 1.00 0.00 C ATOM 920 CG ASP A 59 11.845 10.151 1.522 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.901 9.704 2.687 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.651 10.992 1.073 1.00 0.00 O ATOM 0 H ASP A 59 9.312 8.601 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 59 12.034 8.419 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.559 10.386 -0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.822 9.544 1.176 1.00 0.00 H new ATOM 927 N SER A 60 10.133 6.799 1.564 1.00 0.00 N ATOM 928 CA SER A 60 10.158 5.759 2.569 1.00 0.00 C ATOM 929 C SER A 60 10.943 4.564 2.049 1.00 0.00 C ATOM 930 O SER A 60 11.930 4.157 2.651 1.00 0.00 O ATOM 931 CB SER A 60 8.736 5.343 2.946 1.00 0.00 C ATOM 932 OG SER A 60 8.667 3.958 3.236 1.00 0.00 O ATOM 0 H SER A 60 9.202 7.141 1.325 1.00 0.00 H new ATOM 0 HA SER A 60 10.647 6.143 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.404 5.916 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.056 5.580 2.128 1.00 0.00 H new ATOM 0 HG SER A 60 7.761 3.631 3.056 1.00 0.00 H new ATOM 938 N PHE A 61 10.520 4.036 0.905 1.00 0.00 N ATOM 939 CA PHE A 61 11.184 2.889 0.300 1.00 0.00 C ATOM 940 C PHE A 61 12.672 3.140 0.137 1.00 0.00 C ATOM 941 O PHE A 61 13.481 2.225 0.285 1.00 0.00 O ATOM 942 CB PHE A 61 10.566 2.570 -1.061 1.00 0.00 C ATOM 943 CG PHE A 61 9.067 2.439 -1.017 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.438 1.882 0.088 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.289 2.876 -2.075 1.00 0.00 C ATOM 946 CE1 PHE A 61 7.065 1.764 0.135 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.913 2.759 -2.034 1.00 0.00 C ATOM 948 CZ PHE A 61 6.299 2.203 -0.927 1.00 0.00 C ATOM 0 H PHE A 61 9.719 4.385 0.378 1.00 0.00 H new ATOM 0 HA PHE A 61 11.046 2.038 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.835 3.355 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.994 1.641 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.032 1.537 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.763 3.313 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.589 1.329 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.317 3.102 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.223 2.112 -0.893 1.00 0.00 H new ATOM 958 N GLN A 62 13.036 4.383 -0.161 1.00 0.00 N ATOM 959 CA GLN A 62 14.435 4.728 -0.344 1.00 0.00 C ATOM 960 C GLN A 62 15.171 4.637 0.980 1.00 0.00 C ATOM 961 O GLN A 62 16.342 4.280 1.027 1.00 0.00 O ATOM 962 CB GLN A 62 14.572 6.138 -0.919 1.00 0.00 C ATOM 963 CG GLN A 62 13.816 6.340 -2.220 1.00 0.00 C ATOM 964 CD GLN A 62 14.720 6.762 -3.361 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.733 7.429 -3.153 1.00 0.00 O ATOM 966 NE2 GLN A 62 14.356 6.371 -4.576 1.00 0.00 N ATOM 0 H GLN A 62 12.386 5.160 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 62 14.875 4.021 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.212 6.858 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.628 6.353 -1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.308 5.414 -2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.045 7.096 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.508 5.819 -4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.925 6.623 -5.384 1.00 0.00 H new ATOM 975 N GLN A 63 14.462 4.949 2.055 1.00 0.00 N ATOM 976 CA GLN A 63 15.036 4.922 3.384 1.00 0.00 C ATOM 977 C GLN A 63 15.131 3.499 3.944 1.00 0.00 C ATOM 978 O GLN A 63 16.132 3.139 4.563 1.00 0.00 O ATOM 979 CB GLN A 63 14.195 5.797 4.297 1.00 0.00 C ATOM 980 CG GLN A 63 14.181 7.262 3.883 1.00 0.00 C ATOM 981 CD GLN A 63 15.550 7.911 3.978 1.00 0.00 C ATOM 982 OE1 GLN A 63 16.359 7.456 4.928 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.875 8.814 3.206 1.00 0.00 N flip ATOM 0 H GLN A 63 13.481 5.225 2.027 1.00 0.00 H new ATOM 0 HA GLN A 63 16.055 5.305 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.172 5.420 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.575 5.718 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.816 7.342 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.480 7.807 4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.222 9.133 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.797 9.243 3.282 1.00 0.00 H new ATOM 992 N VAL A 64 14.089 2.695 3.732 1.00 0.00 N ATOM 993 CA VAL A 64 14.079 1.316 4.230 1.00 0.00 C ATOM 994 C VAL A 64 15.155 0.495 3.548 1.00 0.00 C ATOM 995 O VAL A 64 15.755 -0.394 4.148 1.00 0.00 O ATOM 996 CB VAL A 64 12.706 0.598 4.030 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.600 1.583 3.704 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.781 -0.477 2.947 1.00 0.00 C ATOM 0 H VAL A 64 13.248 2.969 3.224 1.00 0.00 H new ATOM 0 HA VAL A 64 14.268 1.387 5.301 1.00 0.00 H new ATOM 0 HB VAL A 64 12.469 0.115 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.661 1.045 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.497 2.298 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.846 2.115 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.806 -0.953 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.069 -0.020 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.521 -1.226 3.229 1.00 0.00 H new ATOM 1008 N VAL A 65 15.381 0.805 2.289 1.00 0.00 N ATOM 1009 CA VAL A 65 16.353 0.101 1.491 1.00 0.00 C ATOM 1010 C VAL A 65 17.759 0.639 1.741 1.00 0.00 C ATOM 1011 O VAL A 65 18.743 -0.095 1.646 1.00 0.00 O ATOM 1012 CB VAL A 65 15.982 0.212 0.006 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.275 1.608 -0.522 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.683 -0.852 -0.807 1.00 0.00 C ATOM 0 H VAL A 65 14.895 1.552 1.793 1.00 0.00 H new ATOM 0 HA VAL A 65 16.347 -0.950 1.779 1.00 0.00 H new ATOM 0 HB VAL A 65 14.910 0.043 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.004 1.663 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.694 2.339 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.337 1.824 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.403 -0.752 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.762 -0.735 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.390 -1.838 -0.446 1.00 0.00 H new ATOM 1024 N LYS A 66 17.845 1.927 2.062 1.00 0.00 N ATOM 1025 CA LYS A 66 19.127 2.556 2.361 1.00 0.00 C ATOM 1026 C LYS A 66 19.674 2.005 3.662 1.00 0.00 C ATOM 1027 O LYS A 66 20.862 1.710 3.787 1.00 0.00 O ATOM 1028 CB LYS A 66 18.963 4.070 2.490 1.00 0.00 C ATOM 1029 CG LYS A 66 19.123 4.814 1.176 1.00 0.00 C ATOM 1030 CD LYS A 66 18.797 6.293 1.323 1.00 0.00 C ATOM 1031 CE LYS A 66 19.794 7.002 2.229 1.00 0.00 C ATOM 1032 NZ LYS A 66 21.170 6.988 1.661 1.00 0.00 N ATOM 0 H LYS A 66 17.043 2.554 2.122 1.00 0.00 H new ATOM 0 HA LYS A 66 19.817 2.340 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.977 4.286 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.697 4.447 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.146 4.701 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.470 4.370 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.798 6.765 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.792 6.405 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.475 8.033 2.382 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.801 6.522 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.764 7.671 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.576 6.035 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.133 7.248 0.655 1.00 0.00 H new ATOM 1046 N LEU A 67 18.779 1.871 4.627 1.00 0.00 N ATOM 1047 CA LEU A 67 19.126 1.361 5.940 1.00 0.00 C ATOM 1048 C LEU A 67 18.871 -0.136 5.983 1.00 0.00 C ATOM 1049 O LEU A 67 19.083 -0.795 7.002 1.00 0.00 O ATOM 1050 CB LEU A 67 18.292 2.098 6.981 1.00 0.00 C ATOM 1051 CG LEU A 67 18.280 3.620 6.808 1.00 0.00 C ATOM 1052 CD1 LEU A 67 17.378 4.271 7.844 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.693 4.173 6.902 1.00 0.00 C ATOM 0 H LEU A 67 17.794 2.113 4.521 1.00 0.00 H new ATOM 0 HA LEU A 67 20.182 1.527 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 67 17.267 1.730 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.674 1.859 7.973 1.00 0.00 H new ATOM 0 HG LEU A 67 17.883 3.853 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.384 5.352 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.361 3.895 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.741 4.033 8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.669 5.256 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.115 3.929 7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 67 20.309 3.731 6.119 1.00 0.00 H new ATOM 1065 N LYS A 68 18.424 -0.644 4.838 1.00 0.00 N ATOM 1066 CA LYS A 68 18.115 -2.058 4.644 1.00 0.00 C ATOM 1067 C LYS A 68 17.607 -2.726 5.912 1.00 0.00 C ATOM 1068 O LYS A 68 18.368 -3.328 6.671 1.00 0.00 O ATOM 1069 CB LYS A 68 19.321 -2.806 4.101 1.00 0.00 C ATOM 1070 CG LYS A 68 18.948 -3.869 3.080 1.00 0.00 C ATOM 1071 CD LYS A 68 18.941 -3.312 1.667 1.00 0.00 C ATOM 1072 CE LYS A 68 17.825 -3.926 0.837 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.035 -3.715 -0.622 1.00 0.00 N ATOM 0 H LYS A 68 18.264 -0.076 4.006 1.00 0.00 H new ATOM 0 HA LYS A 68 17.309 -2.102 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.007 -2.094 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.854 -3.275 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.655 -4.697 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.963 -4.272 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.818 -2.229 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.902 -3.509 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.765 -4.994 1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.871 -3.490 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.114 -3.680 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.540 -2.818 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.598 -4.499 -1.009 1.00 0.00 H new ATOM 1087 N GLY A 69 16.308 -2.610 6.115 1.00 0.00 N ATOM 1088 CA GLY A 69 15.664 -3.204 7.270 1.00 0.00 C ATOM 1089 C GLY A 69 14.898 -2.185 8.081 1.00 0.00 C ATOM 1090 O GLY A 69 13.794 -2.460 8.552 1.00 0.00 O ATOM 0 H GLY A 69 15.676 -2.107 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.984 -3.990 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.417 -3.677 7.901 1.00 0.00 H new ATOM 1094 N GLN A 70 15.487 -1.008 8.246 1.00 0.00 N ATOM 1095 CA GLN A 70 14.848 0.067 8.990 1.00 0.00 C ATOM 1096 C GLN A 70 13.475 0.354 8.398 1.00 0.00 C ATOM 1097 O GLN A 70 13.358 0.682 7.217 1.00 0.00 O ATOM 1098 CB GLN A 70 15.716 1.319 8.939 1.00 0.00 C ATOM 1099 CG GLN A 70 15.404 2.336 10.022 1.00 0.00 C ATOM 1100 CD GLN A 70 15.600 1.779 11.419 1.00 0.00 C ATOM 1101 OE1 GLN A 70 16.433 0.900 11.640 1.00 0.00 O ATOM 1102 NE2 GLN A 70 14.830 2.291 12.373 1.00 0.00 N ATOM 0 H GLN A 70 16.407 -0.774 7.874 1.00 0.00 H new ATOM 0 HA GLN A 70 14.729 -0.235 10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.763 1.026 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.594 1.793 7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.043 3.209 9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 70 14.374 2.675 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.152 3.019 12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.917 1.957 13.333 1.00 0.00 H new ATOM 1111 N VAL A 71 12.440 0.230 9.214 1.00 0.00 N ATOM 1112 CA VAL A 71 11.081 0.449 8.744 1.00 0.00 C ATOM 1113 C VAL A 71 10.718 1.930 8.686 1.00 0.00 C ATOM 1114 O VAL A 71 11.081 2.721 9.557 1.00 0.00 O ATOM 1115 CB VAL A 71 10.052 -0.314 9.601 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.876 0.341 10.962 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.725 -0.423 8.863 1.00 0.00 C ATOM 0 H VAL A 71 12.514 -0.020 10.200 1.00 0.00 H new ATOM 0 HA VAL A 71 11.046 0.056 7.728 1.00 0.00 H new ATOM 0 HB VAL A 71 10.429 -1.322 9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.144 -0.220 11.544 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.830 0.348 11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.527 1.365 10.830 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.008 -0.964 9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.342 0.576 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.873 -0.959 7.925 1.00 0.00 H new ATOM 1127 N LEU A 72 9.997 2.279 7.628 1.00 0.00 N ATOM 1128 CA LEU A 72 9.556 3.636 7.369 1.00 0.00 C ATOM 1129 C LEU A 72 8.049 3.757 7.545 1.00 0.00 C ATOM 1130 O LEU A 72 7.309 2.796 7.328 1.00 0.00 O ATOM 1131 CB LEU A 72 9.920 4.009 5.933 1.00 0.00 C ATOM 1132 CG LEU A 72 11.330 4.551 5.713 1.00 0.00 C ATOM 1133 CD1 LEU A 72 11.382 6.025 6.048 1.00 0.00 C ATOM 1134 CD2 LEU A 72 12.353 3.774 6.530 1.00 0.00 C ATOM 0 H LEU A 72 9.699 1.612 6.916 1.00 0.00 H new ATOM 0 HA LEU A 72 10.046 4.306 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.791 3.126 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.208 4.756 5.582 1.00 0.00 H new ATOM 0 HG LEU A 72 11.584 4.424 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.393 6.399 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.687 6.568 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.103 6.171 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.347 4.183 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.111 3.856 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.334 2.725 6.234 1.00 0.00 H new ATOM 1146 N SER A 73 7.602 4.945 7.928 1.00 0.00 N ATOM 1147 CA SER A 73 6.181 5.201 8.109 1.00 0.00 C ATOM 1148 C SER A 73 5.788 6.471 7.380 1.00 0.00 C ATOM 1149 O SER A 73 6.251 7.561 7.715 1.00 0.00 O ATOM 1150 CB SER A 73 5.829 5.325 9.586 1.00 0.00 C ATOM 1151 OG SER A 73 4.440 5.135 9.797 1.00 0.00 O ATOM 0 H SER A 73 8.203 5.746 8.119 1.00 0.00 H new ATOM 0 HA SER A 73 5.629 4.357 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.391 4.589 10.160 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.125 6.308 9.952 1.00 0.00 H new ATOM 0 HG SER A 73 4.240 5.218 10.753 1.00 0.00 H new ATOM 1157 N VAL A 74 4.933 6.322 6.385 1.00 0.00 N ATOM 1158 CA VAL A 74 4.485 7.473 5.601 1.00 0.00 C ATOM 1159 C VAL A 74 2.999 7.394 5.294 1.00 0.00 C ATOM 1160 O VAL A 74 2.487 6.337 4.926 1.00 0.00 O ATOM 1161 CB VAL A 74 5.258 7.599 4.267 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.744 7.788 4.515 1.00 0.00 C ATOM 1163 CG2 VAL A 74 5.005 6.390 3.385 1.00 0.00 C ATOM 0 H VAL A 74 4.535 5.428 6.098 1.00 0.00 H new ATOM 0 HA VAL A 74 4.685 8.352 6.214 1.00 0.00 H new ATOM 0 HB VAL A 74 4.892 8.483 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.264 7.874 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.903 8.695 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.133 6.931 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.558 6.498 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.336 5.488 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.939 6.314 3.169 1.00 0.00 H new ATOM 1173 N MET A 75 2.304 8.513 5.447 1.00 0.00 N ATOM 1174 CA MET A 75 0.884 8.547 5.150 1.00 0.00 C ATOM 1175 C MET A 75 0.658 9.100 3.763 1.00 0.00 C ATOM 1176 O MET A 75 1.154 10.172 3.419 1.00 0.00 O ATOM 1177 CB MET A 75 0.103 9.385 6.154 1.00 0.00 C ATOM 1178 CG MET A 75 -0.016 8.747 7.520 1.00 0.00 C ATOM 1179 SD MET A 75 -1.363 9.441 8.494 1.00 0.00 S ATOM 1180 CE MET A 75 -2.767 8.939 7.501 1.00 0.00 C ATOM 0 H MET A 75 2.696 9.397 5.771 1.00 0.00 H new ATOM 0 HA MET A 75 0.521 7.521 5.213 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.588 10.356 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.897 9.568 5.760 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.172 7.674 7.404 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.922 8.876 8.060 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.690 9.181 8.027 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.744 9.465 6.547 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.722 7.864 7.324 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.092 8.364 2.972 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.381 8.790 1.612 1.00 0.00 C ATOM 1192 C PHE A 76 -1.823 8.487 1.226 1.00 0.00 C ATOM 1193 O PHE A 76 -2.505 7.709 1.884 1.00 0.00 O ATOM 1194 CB PHE A 76 0.568 8.104 0.636 1.00 0.00 C ATOM 1195 CG PHE A 76 0.216 6.670 0.377 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.548 5.679 1.285 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.460 6.316 -0.775 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.215 4.367 1.041 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.792 5.003 -1.021 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.453 4.026 -0.109 1.00 0.00 C ATOM 0 H PHE A 76 -0.512 7.474 3.240 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.237 9.869 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.563 8.648 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.583 8.157 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.073 5.938 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.731 7.078 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.480 3.603 1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.317 4.738 -1.927 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.712 2.995 -0.299 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.270 9.109 0.146 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.628 8.914 -0.346 1.00 0.00 C ATOM 1212 C ARG A 77 -3.658 7.858 -1.449 1.00 0.00 C ATOM 1213 O ARG A 77 -3.212 8.104 -2.569 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.185 10.239 -0.862 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.203 11.332 0.193 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.128 12.719 -0.424 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.388 13.121 -1.040 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.877 14.356 -0.974 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.208 15.304 -0.330 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -7.035 14.647 -1.549 1.00 0.00 N ATOM 0 H ARG A 77 -1.711 9.756 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.251 8.561 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.587 10.572 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.199 10.081 -1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.113 11.248 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.364 11.192 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.855 13.442 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.337 12.738 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.923 12.417 -1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.317 15.086 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.585 16.250 -0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.555 13.923 -2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.407 15.595 -1.496 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.187 6.682 -1.121 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.273 5.580 -2.076 1.00 0.00 C ATOM 1236 C PHE A 78 -5.581 5.620 -2.858 1.00 0.00 C ATOM 1237 O PHE A 78 -6.640 5.310 -2.312 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.184 4.228 -1.348 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.864 3.069 -2.261 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.792 2.608 -3.184 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.630 2.443 -2.200 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.492 1.548 -4.022 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.326 1.385 -3.035 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.257 0.938 -3.947 1.00 0.00 C ATOM 0 H PHE A 78 -4.564 6.467 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.438 5.691 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.419 4.292 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.131 4.033 -0.845 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.760 3.082 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.894 2.787 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.225 1.199 -4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.359 0.908 -2.973 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.020 0.112 -4.602 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.516 5.999 -4.131 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.712 6.014 -4.955 1.00 0.00 C ATOM 1256 C ARG A 79 -7.193 4.578 -5.090 1.00 0.00 C ATOM 1257 O ARG A 79 -6.582 3.778 -5.798 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.423 6.625 -6.327 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.626 6.660 -7.255 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.804 5.339 -7.976 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.723 5.449 -9.107 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.366 5.257 -10.374 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.112 4.953 -10.677 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.267 5.372 -11.340 1.00 0.00 N ATOM 0 H ARG A 79 -4.662 6.294 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.483 6.629 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.053 7.641 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.625 6.057 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.524 6.887 -6.681 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.502 7.461 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.835 4.986 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.179 4.592 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.696 5.687 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.415 4.865 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.844 4.807 -11.650 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.233 5.607 -11.111 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.994 5.225 -12.312 1.00 0.00 H new ATOM 1278 N SER A 80 -8.273 4.253 -4.399 1.00 0.00 N ATOM 1279 CA SER A 80 -8.795 2.903 -4.401 1.00 0.00 C ATOM 1280 C SER A 80 -9.643 2.581 -5.615 1.00 0.00 C ATOM 1281 O SER A 80 -9.742 3.359 -6.563 1.00 0.00 O ATOM 1282 CB SER A 80 -9.617 2.669 -3.148 1.00 0.00 C ATOM 1283 OG SER A 80 -10.918 3.217 -3.277 1.00 0.00 O ATOM 0 H SER A 80 -8.805 4.911 -3.829 1.00 0.00 H new ATOM 0 HA SER A 80 -7.929 2.242 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.688 1.599 -2.952 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.114 3.118 -2.291 1.00 0.00 H new ATOM 0 HG SER A 80 -11.426 3.050 -2.456 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.253 1.406 -5.555 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.106 0.914 -6.617 1.00 0.00 C ATOM 1291 C LYS A 81 -12.334 1.806 -6.755 1.00 0.00 C ATOM 1292 O LYS A 81 -12.994 1.827 -7.794 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.514 -0.528 -6.328 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.099 -1.213 -7.532 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.284 -2.426 -7.922 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.929 -3.162 -9.071 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.200 -3.824 -8.665 1.00 0.00 N ATOM 0 H LYS A 81 -10.167 0.768 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.558 0.936 -7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.644 -1.086 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.242 -0.541 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.125 -1.514 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.138 -0.514 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.277 -2.118 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.186 -3.094 -7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.127 -2.463 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.237 -3.911 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.487 -4.504 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.058 -4.325 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.944 -3.106 -8.549 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.624 2.546 -5.689 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.755 3.462 -5.671 1.00 0.00 C ATOM 1313 C ASN A 82 -13.305 4.865 -6.052 1.00 0.00 C ATOM 1314 O ASN A 82 -14.047 5.836 -5.904 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.406 3.473 -4.290 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.166 2.193 -4.000 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.829 1.639 -4.878 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.063 1.709 -2.769 1.00 0.00 N ATOM 0 H ASN A 82 -12.086 2.527 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.490 3.121 -6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.638 3.617 -3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.087 4.321 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.544 0.845 -2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.503 2.201 -2.073 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.075 4.948 -6.546 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.484 6.201 -6.974 1.00 0.00 C ATOM 1327 C GLN A 83 -11.560 7.255 -5.883 1.00 0.00 C ATOM 1328 O GLN A 83 -11.968 8.392 -6.119 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.162 6.667 -8.247 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.289 5.541 -9.248 1.00 0.00 C ATOM 1331 CD GLN A 83 -13.725 5.170 -9.513 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -14.230 4.234 -8.726 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -14.371 5.713 -10.411 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.461 4.142 -6.660 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.425 6.040 -7.177 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.151 7.060 -8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.591 7.484 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.813 5.835 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.753 4.667 -8.878 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.935 6.430 -10.991 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -15.342 5.445 -10.574 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.153 6.860 -4.685 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.161 7.748 -3.538 1.00 0.00 C ATOM 1344 C GLU A 84 -9.781 7.802 -2.897 1.00 0.00 C ATOM 1345 O GLU A 84 -9.124 6.773 -2.745 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.191 7.268 -2.524 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.625 7.517 -2.957 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.007 8.983 -2.893 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.491 9.424 -1.831 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -13.822 9.689 -3.907 1.00 0.00 O ATOM 0 H GLU A 84 -10.811 5.920 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.426 8.751 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.051 6.201 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.014 7.769 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.761 7.154 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.298 6.942 -2.321 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.341 9.000 -2.526 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.039 9.160 -1.899 1.00 0.00 C ATOM 1359 C TRP A 85 -8.042 8.537 -0.510 1.00 0.00 C ATOM 1360 O TRP A 85 -8.239 9.218 0.497 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.660 10.640 -1.831 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.260 11.216 -3.152 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.735 12.348 -3.739 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.296 10.676 -4.050 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.122 12.546 -4.954 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.232 11.526 -5.166 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.486 9.553 -4.007 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.376 11.279 -6.238 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.637 9.303 -5.067 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.587 10.164 -6.171 1.00 0.00 C ATOM 0 H TRP A 85 -9.864 9.867 -2.648 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.292 8.645 -2.503 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.505 11.205 -1.438 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.838 10.764 -1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.485 12.997 -3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.300 13.322 -5.591 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.518 8.885 -3.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.337 11.943 -7.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -4.002 8.430 -5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.912 9.943 -6.985 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.819 7.228 -0.477 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.806 6.469 0.767 1.00 0.00 C ATOM 1383 C LEU A 86 -6.531 6.707 1.562 1.00 0.00 C ATOM 1384 O LEU A 86 -5.493 6.122 1.266 1.00 0.00 O ATOM 1385 CB LEU A 86 -7.943 4.975 0.459 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.293 4.533 -0.124 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.555 3.081 0.224 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.424 5.415 0.386 1.00 0.00 C ATOM 0 H LEU A 86 -7.643 6.665 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.647 6.808 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.157 4.694 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.765 4.416 1.378 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.251 4.637 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.514 2.774 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.763 2.458 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.576 2.965 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.368 5.080 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.475 5.349 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.239 6.449 0.094 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.613 7.551 2.587 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.447 7.830 3.409 1.00 0.00 C ATOM 1402 C TRP A 87 -4.980 6.559 4.090 1.00 0.00 C ATOM 1403 O TRP A 87 -5.753 5.866 4.751 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.741 8.907 4.446 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.425 10.287 3.961 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.314 11.213 3.499 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.126 10.897 3.875 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.655 12.359 3.129 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.313 12.190 3.350 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -2.823 10.479 4.189 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.253 13.066 3.128 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.775 11.354 3.968 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -1.995 12.632 3.441 1.00 0.00 C ATOM 0 H TRP A 87 -7.462 8.045 2.863 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.656 8.203 2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.794 8.858 4.725 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.163 8.703 5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.382 11.066 3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.093 13.199 2.751 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.643 9.494 4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.419 14.053 2.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.768 11.045 4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.153 13.289 3.278 1.00 0.00 H new ATOM 1424 N MET A 88 -3.709 6.266 3.915 1.00 0.00 N ATOM 1425 CA MET A 88 -3.110 5.071 4.477 1.00 0.00 C ATOM 1426 C MET A 88 -1.759 5.368 5.082 1.00 0.00 C ATOM 1427 O MET A 88 -1.136 6.385 4.787 1.00 0.00 O ATOM 1428 CB MET A 88 -2.925 4.012 3.393 1.00 0.00 C ATOM 1429 CG MET A 88 -4.182 3.705 2.620 1.00 0.00 C ATOM 1430 SD MET A 88 -5.036 2.237 3.198 1.00 0.00 S ATOM 1431 CE MET A 88 -6.368 2.187 2.010 1.00 0.00 C ATOM 0 H MET A 88 -3.062 6.847 3.381 1.00 0.00 H new ATOM 0 HA MET A 88 -3.782 4.706 5.254 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.155 4.348 2.698 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.560 3.094 3.854 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.857 4.558 2.686 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.930 3.578 1.567 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.575 1.152 1.739 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.262 2.634 2.446 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.082 2.745 1.119 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.324 4.464 5.931 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.031 4.564 6.569 1.00 0.00 C ATOM 1443 C ARG A 89 0.807 3.366 6.152 1.00 0.00 C ATOM 1444 O ARG A 89 0.401 2.224 6.358 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.186 4.585 8.085 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.158 5.634 8.580 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.657 6.279 9.856 1.00 0.00 C ATOM 1448 NE ARG A 89 -0.688 5.353 10.986 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.627 5.737 12.258 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.535 7.025 12.563 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.658 4.833 13.228 1.00 0.00 N ATOM 0 H ARG A 89 -1.858 3.637 6.199 1.00 0.00 H new ATOM 0 HA ARG A 89 0.457 5.489 6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.521 3.604 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.789 4.762 8.539 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.298 6.396 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.132 5.178 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.362 6.635 9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.268 7.152 10.085 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.761 4.355 10.788 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.511 7.724 11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.488 7.316 13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.729 3.842 12.999 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.611 5.129 14.203 1.00 0.00 H new ATOM 1465 N THR A 90 1.969 3.615 5.574 1.00 0.00 N ATOM 1466 CA THR A 90 2.807 2.522 5.103 1.00 0.00 C ATOM 1467 C THR A 90 3.893 2.134 6.084 1.00 0.00 C ATOM 1468 O THR A 90 4.551 2.994 6.679 1.00 0.00 O ATOM 1469 CB THR A 90 3.499 2.860 3.781 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.715 3.569 4.032 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.597 3.688 2.903 1.00 0.00 C ATOM 0 H THR A 90 2.351 4.548 5.420 1.00 0.00 H new ATOM 0 HA THR A 90 2.115 1.689 4.978 1.00 0.00 H new ATOM 0 HB THR A 90 3.726 1.927 3.264 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.478 3.015 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.109 3.917 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.685 3.131 2.690 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.344 4.617 3.415 1.00 0.00 H new ATOM 1479 N SER A 91 4.067 0.823 6.221 1.00 0.00 N ATOM 1480 CA SER A 91 5.102 0.244 7.061 1.00 0.00 C ATOM 1481 C SER A 91 6.108 -0.433 6.139 1.00 0.00 C ATOM 1482 O SER A 91 6.190 -1.660 6.074 1.00 0.00 O ATOM 1483 CB SER A 91 4.496 -0.763 8.040 1.00 0.00 C ATOM 1484 OG SER A 91 4.294 -0.179 9.315 1.00 0.00 O ATOM 0 H SER A 91 3.488 0.130 5.747 1.00 0.00 H new ATOM 0 HA SER A 91 5.592 1.015 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.546 -1.128 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.155 -1.626 8.133 1.00 0.00 H new ATOM 0 HG SER A 91 3.904 -0.843 9.921 1.00 0.00 H new ATOM 1490 N SER A 92 6.861 0.393 5.417 1.00 0.00 N ATOM 1491 CA SER A 92 7.826 -0.089 4.436 1.00 0.00 C ATOM 1492 C SER A 92 9.162 -0.462 5.059 1.00 0.00 C ATOM 1493 O SER A 92 9.800 0.340 5.725 1.00 0.00 O ATOM 1494 CB SER A 92 8.047 0.973 3.365 1.00 0.00 C ATOM 1495 OG SER A 92 6.873 1.741 3.162 1.00 0.00 O ATOM 0 H SER A 92 6.819 1.409 5.495 1.00 0.00 H new ATOM 0 HA SER A 92 7.407 -0.994 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.867 1.627 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.340 0.496 2.430 1.00 0.00 H new ATOM 0 HG SER A 92 6.916 2.178 2.286 1.00 0.00 H new ATOM 1501 N GLN A 93 9.581 -1.689 4.815 1.00 0.00 N ATOM 1502 CA GLN A 93 10.849 -2.187 5.319 1.00 0.00 C ATOM 1503 C GLN A 93 11.247 -3.425 4.540 1.00 0.00 C ATOM 1504 O GLN A 93 10.392 -4.223 4.171 1.00 0.00 O ATOM 1505 CB GLN A 93 10.759 -2.499 6.806 1.00 0.00 C ATOM 1506 CG GLN A 93 9.754 -3.579 7.153 1.00 0.00 C ATOM 1507 CD GLN A 93 9.782 -3.921 8.624 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.937 -3.721 9.239 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.782 -4.350 9.199 1.00 0.00 N flip ATOM 0 H GLN A 93 9.055 -2.367 4.264 1.00 0.00 H new ATOM 0 HA GLN A 93 11.609 -1.417 5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.743 -2.805 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.496 -1.587 7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.753 -3.247 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.966 -4.474 6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.915 -4.487 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.821 -4.569 10.195 1.00 0.00 H new ATOM 1518 N THR A 94 12.542 -3.586 4.308 1.00 0.00 N ATOM 1519 CA THR A 94 13.045 -4.716 3.539 1.00 0.00 C ATOM 1520 C THR A 94 12.304 -5.999 3.880 1.00 0.00 C ATOM 1521 O THR A 94 12.307 -6.455 5.024 1.00 0.00 O ATOM 1522 CB THR A 94 14.549 -4.899 3.760 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.795 -5.464 5.053 1.00 0.00 O ATOM 1524 CG2 THR A 94 15.246 -3.556 3.645 1.00 0.00 C ATOM 0 H THR A 94 13.264 -2.948 4.642 1.00 0.00 H new ATOM 0 HA THR A 94 12.869 -4.496 2.486 1.00 0.00 H new ATOM 0 HB THR A 94 14.939 -5.577 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.948 -5.759 5.448 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.317 -3.687 3.802 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.073 -3.140 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.849 -2.875 4.398 1.00 0.00 H new ATOM 1532 N ALA A 95 11.664 -6.561 2.862 1.00 0.00 N ATOM 1533 CA ALA A 95 10.879 -7.779 3.006 1.00 0.00 C ATOM 1534 C ALA A 95 11.656 -8.895 3.699 1.00 0.00 C ATOM 1535 O ALA A 95 12.854 -8.775 3.956 1.00 0.00 O ATOM 1536 CB ALA A 95 10.398 -8.238 1.643 1.00 0.00 C ATOM 0 H ALA A 95 11.675 -6.185 1.914 1.00 0.00 H new ATOM 0 HA ALA A 95 10.024 -7.548 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.811 -9.150 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.780 -7.460 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.257 -8.435 1.001 1.00 0.00 H new ATOM 1542 N GLN A 96 10.956 -9.986 3.988 1.00 0.00 N ATOM 1543 CA GLN A 96 11.547 -11.132 4.659 1.00 0.00 C ATOM 1544 C GLN A 96 12.534 -11.865 3.770 1.00 0.00 C ATOM 1545 O GLN A 96 13.728 -11.563 3.773 1.00 0.00 O ATOM 1546 CB GLN A 96 10.444 -12.076 5.117 1.00 0.00 C ATOM 1547 CG GLN A 96 9.316 -11.362 5.835 1.00 0.00 C ATOM 1548 CD GLN A 96 9.695 -10.934 7.239 1.00 0.00 C ATOM 1549 OE1 GLN A 96 10.511 -11.580 7.899 1.00 0.00 O ATOM 1550 NE2 GLN A 96 9.103 -9.840 7.704 1.00 0.00 N ATOM 0 H GLN A 96 9.967 -10.099 3.764 1.00 0.00 H new ATOM 0 HA GLN A 96 12.103 -10.768 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.041 -12.603 4.252 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.870 -12.830 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.022 -10.485 5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.447 -12.019 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.433 -9.336 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.318 -9.504 8.643 1.00 0.00 H new ATOM 1559 N ASN A 97 12.030 -12.825 3.012 1.00 0.00 N ATOM 1560 CA ASN A 97 12.876 -13.613 2.131 1.00 0.00 C ATOM 1561 C ASN A 97 12.034 -14.522 1.232 1.00 0.00 C ATOM 1562 O ASN A 97 10.950 -14.956 1.624 1.00 0.00 O ATOM 1563 CB ASN A 97 13.846 -14.439 2.974 1.00 0.00 C ATOM 1564 CG ASN A 97 13.171 -15.621 3.648 1.00 0.00 C ATOM 1565 OD1 ASN A 97 11.994 -15.558 4.005 1.00 0.00 O ATOM 1566 ND2 ASN A 97 13.915 -16.706 3.826 1.00 0.00 N ATOM 0 H ASN A 97 11.042 -13.077 2.989 1.00 0.00 H new ATOM 0 HA ASN A 97 13.440 -12.941 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.656 -14.800 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.296 -13.800 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.515 -17.531 4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.886 -16.715 3.515 1.00 0.00 H new ATOM 1573 N PRO A 98 12.514 -14.825 0.007 1.00 0.00 N ATOM 1574 CA PRO A 98 13.793 -14.336 -0.511 1.00 0.00 C ATOM 1575 C PRO A 98 13.692 -12.915 -1.054 1.00 0.00 C ATOM 1576 O PRO A 98 14.570 -12.455 -1.785 1.00 0.00 O ATOM 1577 CB PRO A 98 14.068 -15.318 -1.643 1.00 0.00 C ATOM 1578 CG PRO A 98 12.727 -15.628 -2.180 1.00 0.00 C ATOM 1579 CD PRO A 98 11.829 -15.677 -0.984 1.00 0.00 C ATOM 0 HA PRO A 98 14.570 -14.288 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 98 14.712 -14.879 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.570 -16.215 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 98 12.400 -14.866 -2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.726 -16.579 -2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.833 -15.299 -1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.706 -16.696 -0.618 1.00 0.00 H new ATOM 1587 N TYR A 99 12.617 -12.224 -0.689 1.00 0.00 N ATOM 1588 CA TYR A 99 12.392 -10.858 -1.145 1.00 0.00 C ATOM 1589 C TYR A 99 13.039 -9.866 -0.189 1.00 0.00 C ATOM 1590 O TYR A 99 12.590 -8.734 -0.062 1.00 0.00 O ATOM 1591 CB TYR A 99 10.889 -10.576 -1.261 1.00 0.00 C ATOM 1592 CG TYR A 99 10.037 -11.821 -1.375 1.00 0.00 C ATOM 1593 CD1 TYR A 99 10.236 -12.728 -2.407 1.00 0.00 C ATOM 1594 CD2 TYR A 99 9.039 -12.091 -0.447 1.00 0.00 C ATOM 1595 CE1 TYR A 99 9.463 -13.867 -2.515 1.00 0.00 C ATOM 1596 CE2 TYR A 99 8.262 -13.229 -0.549 1.00 0.00 C ATOM 1597 CZ TYR A 99 8.477 -14.113 -1.583 1.00 0.00 C ATOM 1598 OH TYR A 99 7.705 -15.247 -1.687 1.00 0.00 O ATOM 0 H TYR A 99 11.887 -12.589 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 99 12.847 -10.743 -2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.568 -10.007 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.714 -9.947 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.009 -12.540 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.868 -11.401 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.630 -14.561 -3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 99 7.489 -13.425 0.179 1.00 0.00 H new ATOM 0 HH TYR A 99 7.058 -15.271 -0.951 1.00 0.00 H new ATOM 1608 N SER A 100 14.102 -10.291 0.481 1.00 0.00 N ATOM 1609 CA SER A 100 14.793 -9.421 1.423 1.00 0.00 C ATOM 1610 C SER A 100 15.281 -8.152 0.732 1.00 0.00 C ATOM 1611 O SER A 100 15.294 -7.076 1.329 1.00 0.00 O ATOM 1612 CB SER A 100 15.969 -10.154 2.072 1.00 0.00 C ATOM 1613 OG SER A 100 16.651 -9.314 2.987 1.00 0.00 O ATOM 0 H SER A 100 14.502 -11.225 0.391 1.00 0.00 H new ATOM 0 HA SER A 100 14.085 -9.139 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.607 -11.042 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.660 -10.494 1.301 1.00 0.00 H new ATOM 0 HG SER A 100 17.397 -9.806 3.389 1.00 0.00 H new ATOM 1619 N ASP A 101 15.682 -8.285 -0.529 1.00 0.00 N ATOM 1620 CA ASP A 101 16.155 -7.144 -1.301 1.00 0.00 C ATOM 1621 C ASP A 101 14.985 -6.236 -1.666 1.00 0.00 C ATOM 1622 O ASP A 101 15.171 -5.129 -2.172 1.00 0.00 O ATOM 1623 CB ASP A 101 16.870 -7.618 -2.569 1.00 0.00 C ATOM 1624 CG ASP A 101 17.393 -6.468 -3.407 1.00 0.00 C ATOM 1625 OD1 ASP A 101 18.515 -5.994 -3.130 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.681 -6.039 -4.340 1.00 0.00 O ATOM 0 H ASP A 101 15.688 -9.170 -1.036 1.00 0.00 H new ATOM 0 HA ASP A 101 16.862 -6.581 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.700 -8.268 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.183 -8.216 -3.168 1.00 0.00 H new ATOM 1631 N GLU A 102 13.776 -6.721 -1.397 1.00 0.00 N ATOM 1632 CA GLU A 102 12.565 -5.977 -1.687 1.00 0.00 C ATOM 1633 C GLU A 102 12.176 -5.079 -0.529 1.00 0.00 C ATOM 1634 O GLU A 102 13.013 -4.698 0.290 1.00 0.00 O ATOM 1635 CB GLU A 102 11.429 -6.934 -1.979 1.00 0.00 C ATOM 1636 CG GLU A 102 11.654 -7.759 -3.222 1.00 0.00 C ATOM 1637 CD GLU A 102 12.569 -7.089 -4.231 1.00 0.00 C ATOM 1638 OE1 GLU A 102 12.070 -6.270 -5.032 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.782 -7.383 -4.222 1.00 0.00 O ATOM 0 H GLU A 102 13.614 -7.635 -0.975 1.00 0.00 H new ATOM 0 HA GLU A 102 12.760 -5.352 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.296 -7.601 -1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.504 -6.368 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.080 -8.721 -2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.692 -7.963 -3.693 1.00 0.00 H new ATOM 1646 N ILE A 103 10.893 -4.752 -0.469 1.00 0.00 N ATOM 1647 CA ILE A 103 10.371 -3.888 0.579 1.00 0.00 C ATOM 1648 C ILE A 103 8.930 -4.233 0.938 1.00 0.00 C ATOM 1649 O ILE A 103 8.000 -3.960 0.176 1.00 0.00 O ATOM 1650 CB ILE A 103 10.439 -2.398 0.166 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.888 -1.994 -0.135 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.829 -1.507 1.247 1.00 0.00 C ATOM 1653 CD1 ILE A 103 12.042 -0.603 -0.714 1.00 0.00 C ATOM 0 H ILE A 103 10.192 -5.074 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 103 11.001 -4.054 1.453 1.00 0.00 H new ATOM 0 HB ILE A 103 9.853 -2.262 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.469 -2.058 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.316 -2.714 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.888 -0.464 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.785 -1.782 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.378 -1.638 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.097 -0.400 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.492 -0.537 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.648 0.130 -0.010 1.00 0.00 H new ATOM 1665 N GLU A 104 8.765 -4.845 2.103 1.00 0.00 N ATOM 1666 CA GLU A 104 7.455 -5.204 2.613 1.00 0.00 C ATOM 1667 C GLU A 104 6.778 -3.964 3.179 1.00 0.00 C ATOM 1668 O GLU A 104 7.164 -3.461 4.235 1.00 0.00 O ATOM 1669 CB GLU A 104 7.598 -6.258 3.702 1.00 0.00 C ATOM 1670 CG GLU A 104 6.346 -7.087 3.915 1.00 0.00 C ATOM 1671 CD GLU A 104 6.549 -8.209 4.916 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.400 -7.956 6.130 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.858 -9.339 4.485 1.00 0.00 O ATOM 0 H GLU A 104 9.536 -5.105 2.718 1.00 0.00 H new ATOM 0 HA GLU A 104 6.848 -5.611 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.424 -6.922 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.862 -5.767 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.541 -6.439 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.028 -7.509 2.962 1.00 0.00 H new ATOM 1680 N THR A 105 5.773 -3.477 2.474 1.00 0.00 N ATOM 1681 CA THR A 105 5.059 -2.280 2.884 1.00 0.00 C ATOM 1682 C THR A 105 3.631 -2.593 3.312 1.00 0.00 C ATOM 1683 O THR A 105 2.796 -2.977 2.494 1.00 0.00 O ATOM 1684 CB THR A 105 5.055 -1.250 1.739 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.361 -0.685 1.608 1.00 0.00 O ATOM 1686 CG2 THR A 105 4.042 -0.141 1.977 1.00 0.00 C ATOM 0 H THR A 105 5.431 -3.895 1.609 1.00 0.00 H new ATOM 0 HA THR A 105 5.579 -1.862 3.746 1.00 0.00 H new ATOM 0 HB THR A 105 4.771 -1.767 0.822 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.480 -0.343 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.072 0.564 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.043 -0.571 2.053 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.284 0.380 2.903 1.00 0.00 H new ATOM 1694 N ILE A 106 3.356 -2.422 4.603 1.00 0.00 N ATOM 1695 CA ILE A 106 2.020 -2.674 5.135 1.00 0.00 C ATOM 1696 C ILE A 106 1.168 -1.417 5.060 1.00 0.00 C ATOM 1697 O ILE A 106 1.316 -0.505 5.874 1.00 0.00 O ATOM 1698 CB ILE A 106 2.044 -3.169 6.598 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.720 -4.540 6.689 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.624 -3.238 7.158 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.227 -4.484 6.577 1.00 0.00 C ATOM 0 H ILE A 106 4.037 -2.112 5.296 1.00 0.00 H new ATOM 0 HA ILE A 106 1.590 -3.462 4.516 1.00 0.00 H new ATOM 0 HB ILE A 106 2.619 -2.460 7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.452 -5.005 7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.329 -5.181 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.656 -3.588 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.171 -2.247 7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.030 -3.928 6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.635 -5.492 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.505 -4.049 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.629 -3.870 7.383 1.00 0.00 H new ATOM 1713 N ILE A 107 0.279 -1.371 4.079 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.597 -0.227 3.903 1.00 0.00 C ATOM 1715 C ILE A 107 -1.825 -0.335 4.809 1.00 0.00 C ATOM 1716 O ILE A 107 -2.685 -1.187 4.597 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.040 -0.102 2.444 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.192 0.056 1.556 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -1.984 1.078 2.286 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.097 -0.101 0.084 1.00 0.00 C ATOM 0 H ILE A 107 0.147 -2.114 3.393 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.036 0.666 4.179 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.576 -1.002 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.629 1.039 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.939 -0.681 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.294 1.159 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.862 0.929 2.915 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.475 1.994 2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.825 0.024 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.506 -1.094 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.820 0.653 -0.227 1.00 0.00 H new ATOM 1732 N CYS A 108 -1.906 0.540 5.808 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.015 0.518 6.764 1.00 0.00 C ATOM 1734 C CYS A 108 -3.979 1.688 6.572 1.00 0.00 C ATOM 1735 O CYS A 108 -3.561 2.841 6.487 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.462 0.546 8.190 1.00 0.00 C ATOM 1737 SG CYS A 108 -3.701 0.885 9.463 1.00 0.00 S ATOM 0 H CYS A 108 -1.218 1.274 5.978 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.576 -0.400 6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -1.992 -0.414 8.404 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -1.681 1.304 8.249 1.00 0.00 H new ATOM 0 HG CYS A 108 -4.778 0.201 9.213 1.00 0.00 H new ATOM 1743 N THR A 109 -5.275 1.381 6.510 1.00 0.00 N ATOM 1744 CA THR A 109 -6.302 2.410 6.361 1.00 0.00 C ATOM 1745 C THR A 109 -6.329 3.302 7.598 1.00 0.00 C ATOM 1746 O THR A 109 -6.240 2.810 8.723 1.00 0.00 O ATOM 1747 CB THR A 109 -7.701 1.792 6.180 1.00 0.00 C ATOM 1748 OG1 THR A 109 -7.998 0.918 7.276 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.787 1.025 4.877 1.00 0.00 C ATOM 0 H THR A 109 -5.637 0.429 6.561 1.00 0.00 H new ATOM 0 HA THR A 109 -6.053 2.991 5.473 1.00 0.00 H new ATOM 0 HB THR A 109 -8.430 2.602 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.890 0.531 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.784 0.598 4.771 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.591 1.700 4.044 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.047 0.224 4.877 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.456 4.609 7.395 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.491 5.542 8.518 1.00 0.00 C ATOM 1759 C ASN A 110 -7.857 6.212 8.646 1.00 0.00 C ATOM 1760 O ASN A 110 -8.408 6.302 9.744 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.396 6.601 8.370 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.187 7.398 9.645 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -3.931 7.688 9.964 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -6.142 7.738 10.343 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.536 5.044 6.476 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.310 4.970 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.461 6.116 8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.658 7.280 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.092 7.495 10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.984 8.263 11.203 1.00 0.00 H new ATOM 1771 N THR A 111 -8.400 6.681 7.528 1.00 0.00 N ATOM 1772 CA THR A 111 -9.702 7.342 7.532 1.00 0.00 C ATOM 1773 C THR A 111 -10.796 6.412 8.048 1.00 0.00 C ATOM 1774 O THR A 111 -10.861 5.242 7.671 1.00 0.00 O ATOM 1775 CB THR A 111 -10.088 7.843 6.128 1.00 0.00 C ATOM 1776 OG1 THR A 111 -9.908 6.799 5.166 1.00 0.00 O ATOM 1777 CG2 THR A 111 -9.250 9.051 5.739 1.00 0.00 C ATOM 0 H THR A 111 -7.961 6.617 6.609 1.00 0.00 H new ATOM 0 HA THR A 111 -9.614 8.198 8.201 1.00 0.00 H new ATOM 0 HB THR A 111 -11.137 8.138 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.944 5.929 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 111 -9.539 9.389 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.415 9.854 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.195 8.777 5.737 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.655 6.946 8.913 1.00 0.00 N ATOM 1786 CA ASN A 112 -12.750 6.172 9.486 1.00 0.00 C ATOM 1787 C ASN A 112 -13.849 7.094 10.014 1.00 0.00 C ATOM 1788 O ASN A 112 -13.870 7.441 11.196 1.00 0.00 O ATOM 1789 CB ASN A 112 -12.233 5.267 10.608 1.00 0.00 C ATOM 1790 CG ASN A 112 -11.515 6.038 11.701 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -10.891 7.068 11.445 1.00 0.00 O ATOM 1792 ND2 ASN A 112 -11.604 5.542 12.930 1.00 0.00 N ATOM 0 H ASN A 112 -11.612 7.914 9.232 1.00 0.00 H new ATOM 0 HA ASN A 112 -13.174 5.548 8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.070 4.722 11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.554 4.525 10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.145 6.018 13.707 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.132 4.685 13.097 1.00 0.00 H new ATOM 1799 N VAL A 113 -14.762 7.485 9.131 1.00 0.00 N ATOM 1800 CA VAL A 113 -15.859 8.369 9.506 1.00 0.00 C ATOM 1801 C VAL A 113 -17.170 7.935 8.855 1.00 0.00 C ATOM 1802 O VAL A 113 -18.171 8.649 8.919 1.00 0.00 O ATOM 1803 CB VAL A 113 -15.563 9.828 9.108 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -14.355 10.357 9.865 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -15.348 9.938 7.606 1.00 0.00 C ATOM 0 H VAL A 113 -14.764 7.203 8.151 1.00 0.00 H new ATOM 0 HA VAL A 113 -15.958 8.304 10.590 1.00 0.00 H new ATOM 0 HB VAL A 113 -16.425 10.439 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -14.163 11.388 9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.551 10.317 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.483 9.745 9.633 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -15.140 10.975 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.504 9.313 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -16.245 9.604 7.085 1.00 0.00 H new ATOM 1815 N LYS A 114 -17.157 6.761 8.231 1.00 0.00 N ATOM 1816 CA LYS A 114 -18.344 6.235 7.567 1.00 0.00 C ATOM 1817 C LYS A 114 -19.167 5.375 8.523 1.00 0.00 C ATOM 1818 O LYS A 114 -20.230 5.788 8.986 1.00 0.00 O ATOM 1819 CB LYS A 114 -17.943 5.418 6.337 1.00 0.00 C ATOM 1820 CG LYS A 114 -19.125 4.897 5.535 1.00 0.00 C ATOM 1821 CD LYS A 114 -18.667 4.116 4.314 1.00 0.00 C ATOM 1822 CE LYS A 114 -19.846 3.606 3.502 1.00 0.00 C ATOM 1823 NZ LYS A 114 -20.724 4.716 3.038 1.00 0.00 N ATOM 0 H LYS A 114 -16.338 6.156 8.172 1.00 0.00 H new ATOM 0 HA LYS A 114 -18.958 7.078 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -17.320 6.035 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -17.332 4.574 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -19.742 4.258 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -19.750 5.733 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -18.041 4.752 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -18.051 3.274 4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -19.479 3.049 2.640 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -20.429 2.911 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -21.370 4.364 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -21.278 5.079 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -20.139 5.481 2.647 1.00 0.00 H new ATOM 1837 N ASN A 115 -18.666 4.179 8.816 1.00 0.00 N ATOM 1838 CA ASN A 115 -19.349 3.259 9.719 1.00 0.00 C ATOM 1839 C ASN A 115 -18.348 2.368 10.444 1.00 0.00 C ATOM 1840 O ASN A 115 -18.535 2.027 11.611 1.00 0.00 O ATOM 1841 CB ASN A 115 -20.351 2.395 8.947 1.00 0.00 C ATOM 1842 CG ASN A 115 -21.556 3.185 8.476 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -21.553 3.754 7.383 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -22.597 3.222 9.299 1.00 0.00 N ATOM 0 H ASN A 115 -17.787 3.824 8.440 1.00 0.00 H new ATOM 0 HA ASN A 115 -19.887 3.851 10.459 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -19.854 1.949 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -20.684 1.575 9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -23.438 3.736 9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.556 2.736 10.195 1.00 0.00 H new ATOM 1851 N SER A 116 -17.283 1.995 9.742 1.00 0.00 N ATOM 1852 CA SER A 116 -16.248 1.144 10.314 1.00 0.00 C ATOM 1853 C SER A 116 -14.872 1.545 9.793 1.00 0.00 C ATOM 1854 O SER A 116 -14.704 2.624 9.225 1.00 0.00 O ATOM 1855 CB SER A 116 -16.530 -0.323 9.985 1.00 0.00 C ATOM 1856 OG SER A 116 -16.593 -0.529 8.585 1.00 0.00 O ATOM 0 H SER A 116 -17.115 2.270 8.774 1.00 0.00 H new ATOM 0 HA SER A 116 -16.257 1.272 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.749 -0.951 10.413 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.471 -0.627 10.443 1.00 0.00 H new ATOM 0 HG SER A 116 -17.528 -0.505 8.293 1.00 0.00 H new ATOM 1862 N SER A 117 -13.889 0.671 9.991 1.00 0.00 N ATOM 1863 CA SER A 117 -12.528 0.936 9.540 1.00 0.00 C ATOM 1864 C SER A 117 -12.365 0.588 8.063 1.00 0.00 C ATOM 1865 O SER A 117 -11.365 -0.008 7.661 1.00 0.00 O ATOM 1866 CB SER A 117 -11.527 0.140 10.381 1.00 0.00 C ATOM 1867 OG SER A 117 -10.193 0.437 10.006 1.00 0.00 O ATOM 0 H SER A 117 -14.010 -0.226 10.461 1.00 0.00 H new ATOM 0 HA SER A 117 -12.330 2.001 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 117 -11.671 0.370 11.437 1.00 0.00 H new ATOM 0 HB3 SER A 117 -11.713 -0.927 10.259 1.00 0.00 H new ATOM 0 HG SER A 117 -10.113 0.405 9.030 1.00 0.00 H new ATOM 1873 N GLN A 118 -13.355 0.962 7.258 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.322 0.693 5.827 1.00 0.00 C ATOM 1875 C GLN A 118 -13.049 1.968 5.038 1.00 0.00 C ATOM 1876 O GLN A 118 -13.712 2.986 5.241 1.00 0.00 O ATOM 1877 CB GLN A 118 -14.645 0.075 5.369 1.00 0.00 C ATOM 1878 CG GLN A 118 -14.955 -1.261 6.023 1.00 0.00 C ATOM 1879 CD GLN A 118 -16.271 -1.852 5.551 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -16.431 -3.071 5.493 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -17.224 -0.990 5.210 1.00 0.00 N ATOM 0 H GLN A 118 -14.191 1.453 7.575 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.513 -0.013 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.455 0.772 5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.619 -0.058 4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -14.149 -1.962 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.986 -1.133 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -17.051 0.013 5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -18.129 -1.332 4.886 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.065 1.905 4.144 1.00 0.00 N ATOM 1891 CA GLU A 119 -11.701 3.050 3.315 1.00 0.00 C ATOM 1892 C GLU A 119 -11.193 4.204 4.174 1.00 0.00 C ATOM 1893 O GLU A 119 -12.018 5.051 4.575 1.00 0.00 O ATOM 1894 CB GLU A 119 -12.900 3.511 2.479 1.00 0.00 C ATOM 1895 CG GLU A 119 -13.607 2.381 1.745 1.00 0.00 C ATOM 1896 CD GLU A 119 -12.701 1.659 0.768 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -12.624 2.092 -0.401 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -12.070 0.660 1.170 1.00 0.00 O ATOM 1899 OXT GLU A 119 -9.974 4.248 4.439 1.00 0.00 O ATOM 0 H GLU A 119 -11.504 1.070 3.975 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.901 2.738 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.615 4.011 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.562 4.249 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.993 1.666 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.466 2.784 1.208 1.00 0.00 H new TER 1906 GLU A 119