USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 925 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 107 GLN : amide:sc= -0.0344 K(o=-2.4,f=-3.3) USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -2.39 F(o=-3.8!,f=-2.4) USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 MET CE :methyl 160:sc= -0.227 (180deg=-1.02) USER MOD Set 2.3: A 106 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 68 ASN : amide:sc= 0.0938 K(o=-2.7,f=-14!) USER MOD Set 3.2: A 71 LYS NZ :NH3+ -178:sc= -2.8! (180deg=-3.97!) USER MOD Set 4.1: A 69 ASN : amide:sc= -2.14! K(o=-3.6!,f=-6) USER MOD Set 4.2: A 73 TYR OH : rot 75:sc= 1.21 USER MOD Set 4.3: A 90 MET CE :methyl 176:sc= -2.71 (180deg=-2.71) USER MOD Set 5.1: A 25 TYR OH : rot 135:sc= -0.873 USER MOD Set 5.2: A 48 HIS : no HD1:sc= -4.79! X(o=-5.7!,f=-5.5) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.00191 (180deg=0) USER MOD Single : A 2 SER OG : rot 150:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 13 SER OG : rot 150:sc=0.000965 USER MOD Single : A 18 CYS SG : rot -64:sc= -4.48! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -117:sc= 0.392 USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= 0.988 (180deg=-1.07!) USER MOD Single : A 24 ASN : amide:sc= -0.355 X(o=-0.35,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0552 USER MOD Single : A 36 SER OG : rot -130:sc= -0.731 USER MOD Single : A 39 ASN : amide:sc= -0.0855 K(o=-0.085,f=-9.1!) USER MOD Single : A 42 SER OG : rot 130:sc= -0.151 USER MOD Single : A 44 CYS SG : rot 71:sc= -0.811 USER MOD Single : A 49 HIS :FLIP no HD1:sc= -1.46 F(o=-2.4!,f=-1.5) USER MOD Single : A 57 TYR OH : rot 130:sc= -2.17! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -55:sc= 0.127 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.76 F(o=-2.4,f=-1.8) USER MOD Single : A 63 GLN : amide:sc= -10.7! C(o=-11!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= -1.29 (180deg=-1.87) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 96:sc= 1.12 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 72:sc= 0.847 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc=-0.00736 USER MOD Single : A 117 SER OG : rot 46:sc= 0.766 USER MOD Single : A 118 SER OG : rot 60:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.689 -6.671 -18.072 1.00 0.00 N ATOM 2 CA GLY A 1 1.661 -7.746 -18.155 1.00 0.00 C ATOM 3 C GLY A 1 2.830 -7.545 -17.212 1.00 0.00 C ATOM 4 O GLY A 1 3.341 -6.433 -17.075 1.00 0.00 O ATOM 0 H1 GLY A 1 0.224 -6.552 -18.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.024 -6.903 -17.352 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.170 -5.787 -17.810 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.172 -8.693 -17.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.031 -7.818 -19.178 1.00 0.00 H new ATOM 8 N SER A 2 3.255 -8.622 -16.559 1.00 0.00 N ATOM 9 CA SER A 2 4.369 -8.557 -15.620 1.00 0.00 C ATOM 10 C SER A 2 5.501 -9.483 -16.055 1.00 0.00 C ATOM 11 O SER A 2 5.395 -10.705 -15.946 1.00 0.00 O ATOM 12 CB SER A 2 3.899 -8.933 -14.213 1.00 0.00 C ATOM 13 OG SER A 2 3.222 -7.852 -13.596 1.00 0.00 O ATOM 0 H SER A 2 2.845 -9.550 -16.663 1.00 0.00 H new ATOM 0 HA SER A 2 4.744 -7.534 -15.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.238 -9.798 -14.266 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.756 -9.224 -13.605 1.00 0.00 H new ATOM 0 HG SER A 2 2.548 -8.200 -12.975 1.00 0.00 H new ATOM 19 N SER A 3 6.584 -8.891 -16.548 1.00 0.00 N ATOM 20 CA SER A 3 7.735 -9.662 -17.004 1.00 0.00 C ATOM 21 C SER A 3 8.015 -10.829 -16.062 1.00 0.00 C ATOM 22 O SER A 3 8.033 -11.987 -16.478 1.00 0.00 O ATOM 23 CB SER A 3 8.970 -8.764 -17.101 1.00 0.00 C ATOM 24 OG SER A 3 9.881 -9.253 -18.071 1.00 0.00 O ATOM 0 H SER A 3 6.689 -7.881 -16.642 1.00 0.00 H new ATOM 0 HA SER A 3 7.505 -10.062 -17.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.667 -7.750 -17.361 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.462 -8.710 -16.130 1.00 0.00 H new ATOM 0 HG SER A 3 10.661 -8.661 -18.115 1.00 0.00 H new ATOM 30 N GLY A 4 8.233 -10.515 -14.788 1.00 0.00 N ATOM 31 CA GLY A 4 8.508 -11.548 -13.806 1.00 0.00 C ATOM 32 C GLY A 4 9.146 -10.995 -12.547 1.00 0.00 C ATOM 33 O GLY A 4 8.996 -9.814 -12.234 1.00 0.00 O ATOM 0 H GLY A 4 8.224 -9.564 -14.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.579 -12.055 -13.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.167 -12.297 -14.245 1.00 0.00 H new ATOM 37 N SER A 5 9.860 -11.851 -11.822 1.00 0.00 N ATOM 38 CA SER A 5 10.518 -11.442 -10.587 1.00 0.00 C ATOM 39 C SER A 5 12.021 -11.284 -10.799 1.00 0.00 C ATOM 40 O SER A 5 12.770 -12.260 -10.767 1.00 0.00 O ATOM 41 CB SER A 5 10.253 -12.465 -9.481 1.00 0.00 C ATOM 42 OG SER A 5 8.900 -12.426 -9.064 1.00 0.00 O ATOM 0 H SER A 5 9.997 -12.831 -12.069 1.00 0.00 H new ATOM 0 HA SER A 5 10.107 -10.478 -10.287 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.497 -13.465 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.905 -12.263 -8.631 1.00 0.00 H new ATOM 0 HG SER A 5 8.756 -13.090 -8.358 1.00 0.00 H new ATOM 48 N SER A 6 12.454 -10.046 -11.017 1.00 0.00 N ATOM 49 CA SER A 6 13.866 -9.758 -11.239 1.00 0.00 C ATOM 50 C SER A 6 14.585 -9.514 -9.915 1.00 0.00 C ATOM 51 O SER A 6 15.651 -10.072 -9.663 1.00 0.00 O ATOM 52 CB SER A 6 14.023 -8.539 -12.150 1.00 0.00 C ATOM 53 OG SER A 6 13.977 -8.914 -13.516 1.00 0.00 O ATOM 0 H SER A 6 11.847 -9.227 -11.045 1.00 0.00 H new ATOM 0 HA SER A 6 14.316 -10.624 -11.723 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.231 -7.820 -11.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.970 -8.042 -11.938 1.00 0.00 H new ATOM 0 HG SER A 6 14.078 -8.117 -14.078 1.00 0.00 H new ATOM 59 N GLY A 7 13.991 -8.673 -9.073 1.00 0.00 N ATOM 60 CA GLY A 7 14.588 -8.368 -7.786 1.00 0.00 C ATOM 61 C GLY A 7 14.492 -6.897 -7.436 1.00 0.00 C ATOM 62 O GLY A 7 13.730 -6.142 -8.039 1.00 0.00 O ATOM 0 H GLY A 7 13.108 -8.198 -9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.094 -8.955 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.636 -8.668 -7.795 1.00 0.00 H new ATOM 66 N PRO A 8 15.279 -6.469 -6.438 1.00 0.00 N ATOM 67 CA PRO A 8 15.297 -5.075 -5.985 1.00 0.00 C ATOM 68 C PRO A 8 15.926 -4.140 -7.013 1.00 0.00 C ATOM 69 O PRO A 8 17.142 -3.952 -7.032 1.00 0.00 O ATOM 70 CB PRO A 8 16.150 -5.125 -4.715 1.00 0.00 C ATOM 71 CG PRO A 8 17.025 -6.317 -4.893 1.00 0.00 C ATOM 72 CD PRO A 8 16.213 -7.314 -5.674 1.00 0.00 C ATOM 0 HA PRO A 8 14.292 -4.686 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.739 -4.215 -4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.529 -5.219 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.939 -6.054 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.326 -6.728 -3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.840 -7.916 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.685 -8.005 -5.017 1.00 0.00 H new ATOM 80 N ASN A 9 15.090 -3.556 -7.865 1.00 0.00 N ATOM 81 CA ASN A 9 15.565 -2.640 -8.896 1.00 0.00 C ATOM 82 C ASN A 9 15.491 -1.194 -8.415 1.00 0.00 C ATOM 83 O ASN A 9 14.750 -0.876 -7.485 1.00 0.00 O ATOM 84 CB ASN A 9 14.741 -2.807 -10.174 1.00 0.00 C ATOM 85 CG ASN A 9 15.164 -4.019 -10.981 1.00 0.00 C ATOM 86 OD1 ASN A 9 16.347 -4.207 -11.266 1.00 0.00 O ATOM 87 ND2 ASN A 9 14.196 -4.848 -11.354 1.00 0.00 N ATOM 0 H ASN A 9 14.080 -3.701 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 9 16.607 -2.880 -9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.686 -2.897 -9.914 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.842 -1.912 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.419 -5.680 -11.899 1.00 0.00 H new ATOM 0 HD22 ASN A 9 13.229 -4.652 -11.095 1.00 0.00 H new ATOM 94 N ALA A 10 16.265 -0.323 -9.055 1.00 0.00 N ATOM 95 CA ALA A 10 16.285 1.089 -8.694 1.00 0.00 C ATOM 96 C ALA A 10 14.871 1.651 -8.596 1.00 0.00 C ATOM 97 O ALA A 10 14.295 2.085 -9.593 1.00 0.00 O ATOM 98 CB ALA A 10 17.101 1.880 -9.706 1.00 0.00 C ATOM 0 H ALA A 10 16.886 -0.571 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 10 16.753 1.182 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.108 2.933 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.123 1.503 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.657 1.772 -10.696 1.00 0.00 H new ATOM 104 N SER A 11 14.317 1.639 -7.387 1.00 0.00 N ATOM 105 CA SER A 11 12.968 2.144 -7.160 1.00 0.00 C ATOM 106 C SER A 11 12.044 1.761 -8.311 1.00 0.00 C ATOM 107 O SER A 11 11.245 2.574 -8.776 1.00 0.00 O ATOM 108 CB SER A 11 12.991 3.664 -6.994 1.00 0.00 C ATOM 109 OG SER A 11 13.279 4.027 -5.654 1.00 0.00 O ATOM 0 H SER A 11 14.781 1.285 -6.551 1.00 0.00 H new ATOM 0 HA SER A 11 12.587 1.691 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 11 13.739 4.094 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.027 4.080 -7.287 1.00 0.00 H new ATOM 0 HG SER A 11 13.290 5.004 -5.575 1.00 0.00 H new ATOM 115 N GLN A 12 12.158 0.517 -8.765 1.00 0.00 N ATOM 116 CA GLN A 12 11.334 0.026 -9.863 1.00 0.00 C ATOM 117 C GLN A 12 10.553 -1.216 -9.444 1.00 0.00 C ATOM 118 O GLN A 12 9.430 -1.436 -9.896 1.00 0.00 O ATOM 119 CB GLN A 12 12.203 -0.291 -11.081 1.00 0.00 C ATOM 120 CG GLN A 12 11.424 -0.866 -12.252 1.00 0.00 C ATOM 121 CD GLN A 12 12.308 -1.613 -13.231 1.00 0.00 C ATOM 122 OE1 GLN A 12 13.485 -1.290 -13.394 1.00 0.00 O ATOM 123 NE2 GLN A 12 11.744 -2.619 -13.890 1.00 0.00 N ATOM 0 H GLN A 12 12.813 -0.169 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 12 10.623 0.809 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.708 0.620 -11.404 1.00 0.00 H new ATOM 0 HB3 GLN A 12 12.979 -0.999 -10.789 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.655 -1.540 -11.876 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.912 -0.058 -12.774 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.765 -2.852 -13.724 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.290 -3.158 -14.562 1.00 0.00 H new ATOM 132 N SER A 13 11.156 -2.024 -8.578 1.00 0.00 N ATOM 133 CA SER A 13 10.519 -3.246 -8.101 1.00 0.00 C ATOM 134 C SER A 13 9.257 -2.926 -7.306 1.00 0.00 C ATOM 135 O SER A 13 8.240 -3.609 -7.432 1.00 0.00 O ATOM 136 CB SER A 13 11.492 -4.048 -7.234 1.00 0.00 C ATOM 137 OG SER A 13 12.095 -3.226 -6.250 1.00 0.00 O ATOM 0 H SER A 13 12.085 -1.854 -8.192 1.00 0.00 H new ATOM 0 HA SER A 13 10.239 -3.843 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.962 -4.869 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.263 -4.493 -7.863 1.00 0.00 H new ATOM 0 HG SER A 13 12.304 -3.764 -5.458 1.00 0.00 H new ATOM 143 N LEU A 14 9.330 -1.882 -6.487 1.00 0.00 N ATOM 144 CA LEU A 14 8.193 -1.470 -5.670 1.00 0.00 C ATOM 145 C LEU A 14 6.975 -1.179 -6.540 1.00 0.00 C ATOM 146 O LEU A 14 5.937 -1.829 -6.411 1.00 0.00 O ATOM 147 CB LEU A 14 8.554 -0.232 -4.847 1.00 0.00 C ATOM 148 CG LEU A 14 7.643 0.072 -3.658 1.00 0.00 C ATOM 149 CD1 LEU A 14 7.521 -1.144 -2.754 1.00 0.00 C ATOM 150 CD2 LEU A 14 8.167 1.269 -2.877 1.00 0.00 C ATOM 0 H LEU A 14 10.164 -1.306 -6.371 1.00 0.00 H new ATOM 0 HA LEU A 14 7.946 -2.289 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.573 -0.350 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.554 0.633 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 14 6.651 0.317 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.869 -0.908 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.100 -1.976 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.507 -1.421 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.506 1.471 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.170 1.052 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.201 2.142 -3.529 1.00 0.00 H new ATOM 162 N LEU A 15 7.109 -0.199 -7.428 1.00 0.00 N ATOM 163 CA LEU A 15 6.019 0.177 -8.322 1.00 0.00 C ATOM 164 C LEU A 15 5.505 -1.034 -9.093 1.00 0.00 C ATOM 165 O LEU A 15 4.380 -1.033 -9.593 1.00 0.00 O ATOM 166 CB LEU A 15 6.485 1.258 -9.299 1.00 0.00 C ATOM 167 CG LEU A 15 5.389 2.144 -9.892 1.00 0.00 C ATOM 168 CD1 LEU A 15 5.121 3.339 -8.990 1.00 0.00 C ATOM 169 CD2 LEU A 15 5.774 2.604 -11.290 1.00 0.00 C ATOM 0 H LEU A 15 7.961 0.349 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 15 5.204 0.571 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.204 1.897 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.016 0.774 -10.119 1.00 0.00 H new ATOM 0 HG LEU A 15 4.473 1.557 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.338 3.958 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.800 2.989 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.033 3.927 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.983 3.233 -11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.702 3.173 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.913 1.735 -11.933 1.00 0.00 H new ATOM 181 N VAL A 16 6.336 -2.067 -9.185 1.00 0.00 N ATOM 182 CA VAL A 16 5.964 -3.287 -9.893 1.00 0.00 C ATOM 183 C VAL A 16 5.311 -4.291 -8.950 1.00 0.00 C ATOM 184 O VAL A 16 4.441 -5.062 -9.355 1.00 0.00 O ATOM 185 CB VAL A 16 7.188 -3.945 -10.558 1.00 0.00 C ATOM 186 CG1 VAL A 16 6.770 -5.180 -11.340 1.00 0.00 C ATOM 187 CG2 VAL A 16 7.903 -2.949 -11.459 1.00 0.00 C ATOM 0 H VAL A 16 7.271 -2.084 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 16 5.250 -3.000 -10.665 1.00 0.00 H new ATOM 0 HB VAL A 16 7.882 -4.257 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.647 -5.632 -11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.306 -5.898 -10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.057 -4.896 -12.114 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.765 -3.430 -11.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.220 -2.605 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.237 -2.097 -10.867 1.00 0.00 H new ATOM 197 N TRP A 17 5.735 -4.276 -7.692 1.00 0.00 N ATOM 198 CA TRP A 17 5.190 -5.186 -6.691 1.00 0.00 C ATOM 199 C TRP A 17 3.716 -4.892 -6.432 1.00 0.00 C ATOM 200 O TRP A 17 2.893 -5.806 -6.370 1.00 0.00 O ATOM 201 CB TRP A 17 5.981 -5.076 -5.387 1.00 0.00 C ATOM 202 CG TRP A 17 5.607 -6.116 -4.375 1.00 0.00 C ATOM 203 CD1 TRP A 17 6.090 -7.391 -4.292 1.00 0.00 C ATOM 204 CD2 TRP A 17 4.669 -5.971 -3.303 1.00 0.00 C ATOM 205 NE1 TRP A 17 5.509 -8.046 -3.234 1.00 0.00 N ATOM 206 CE2 TRP A 17 4.634 -7.197 -2.610 1.00 0.00 C ATOM 207 CE3 TRP A 17 3.857 -4.923 -2.859 1.00 0.00 C ATOM 208 CZ2 TRP A 17 3.819 -7.402 -1.501 1.00 0.00 C ATOM 209 CZ3 TRP A 17 3.047 -5.129 -1.758 1.00 0.00 C ATOM 210 CH2 TRP A 17 3.034 -6.359 -1.089 1.00 0.00 C ATOM 0 H TRP A 17 6.454 -3.644 -7.340 1.00 0.00 H new ATOM 0 HA TRP A 17 5.276 -6.202 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.045 -5.161 -5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.822 -4.087 -4.957 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.821 -7.821 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 17 5.699 -9.009 -2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.863 -3.970 -3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.806 -8.350 -0.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 2.413 -4.328 -1.408 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.392 -6.487 -0.230 1.00 0.00 H new ATOM 221 N CYS A 18 3.390 -3.613 -6.283 1.00 0.00 N ATOM 222 CA CYS A 18 2.015 -3.199 -6.030 1.00 0.00 C ATOM 223 C CYS A 18 1.159 -3.364 -7.282 1.00 0.00 C ATOM 224 O CYS A 18 -0.039 -3.636 -7.197 1.00 0.00 O ATOM 225 CB CYS A 18 1.976 -1.744 -5.560 1.00 0.00 C ATOM 226 SG CYS A 18 2.889 -0.600 -6.622 1.00 0.00 S ATOM 0 H CYS A 18 4.059 -2.845 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 18 1.608 -3.837 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.937 -1.420 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.383 -1.689 -4.550 1.00 0.00 H new ATOM 0 HG CYS A 18 4.153 -0.905 -6.603 1.00 0.00 H new ATOM 232 N LYS A 19 1.781 -3.197 -8.444 1.00 0.00 N ATOM 233 CA LYS A 19 1.077 -3.327 -9.715 1.00 0.00 C ATOM 234 C LYS A 19 0.928 -4.793 -10.106 1.00 0.00 C ATOM 235 O LYS A 19 -0.035 -5.172 -10.772 1.00 0.00 O ATOM 236 CB LYS A 19 1.824 -2.568 -10.814 1.00 0.00 C ATOM 237 CG LYS A 19 1.820 -1.061 -10.624 1.00 0.00 C ATOM 238 CD LYS A 19 2.757 -0.373 -11.602 1.00 0.00 C ATOM 239 CE LYS A 19 2.064 -0.077 -12.923 1.00 0.00 C ATOM 240 NZ LYS A 19 3.021 -0.083 -14.065 1.00 0.00 N ATOM 0 H LYS A 19 2.772 -2.971 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 19 0.082 -2.898 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.856 -2.918 -10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.374 -2.805 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.808 -0.679 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.118 -0.821 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.122 0.556 -11.165 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.627 -1.005 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.285 -0.819 -13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.573 0.894 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.510 0.123 -14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.751 0.642 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.471 -1.018 -14.136 1.00 0.00 H new ATOM 254 N GLU A 20 1.885 -5.614 -9.686 1.00 0.00 N ATOM 255 CA GLU A 20 1.858 -7.040 -9.994 1.00 0.00 C ATOM 256 C GLU A 20 0.727 -7.736 -9.242 1.00 0.00 C ATOM 257 O GLU A 20 -0.060 -8.477 -9.830 1.00 0.00 O ATOM 258 CB GLU A 20 3.198 -7.687 -9.636 1.00 0.00 C ATOM 259 CG GLU A 20 3.306 -9.139 -10.069 1.00 0.00 C ATOM 260 CD GLU A 20 4.588 -9.795 -9.594 1.00 0.00 C ATOM 261 OE1 GLU A 20 5.600 -9.079 -9.440 1.00 0.00 O ATOM 262 OE2 GLU A 20 4.579 -11.025 -9.375 1.00 0.00 O ATOM 0 H GLU A 20 2.688 -5.317 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 20 1.683 -7.152 -11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.003 -7.117 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.345 -7.626 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.452 -9.695 -9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.255 -9.195 -11.156 1.00 0.00 H new ATOM 269 N VAL A 21 0.654 -7.494 -7.937 1.00 0.00 N ATOM 270 CA VAL A 21 -0.379 -8.097 -7.104 1.00 0.00 C ATOM 271 C VAL A 21 -1.757 -7.546 -7.453 1.00 0.00 C ATOM 272 O VAL A 21 -2.775 -8.204 -7.234 1.00 0.00 O ATOM 273 CB VAL A 21 -0.105 -7.855 -5.607 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.337 -8.194 -5.266 1.00 0.00 C ATOM 275 CG2 VAL A 21 -0.425 -6.415 -5.234 1.00 0.00 C ATOM 0 H VAL A 21 1.298 -6.884 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.359 -9.169 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.754 -8.510 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.511 -8.017 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.528 -9.242 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.007 -7.566 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.226 -6.261 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.197 -5.740 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.476 -6.211 -5.439 1.00 0.00 H new ATOM 285 N THR A 22 -1.783 -6.334 -7.998 1.00 0.00 N ATOM 286 CA THR A 22 -3.036 -5.693 -8.377 1.00 0.00 C ATOM 287 C THR A 22 -3.199 -5.658 -9.893 1.00 0.00 C ATOM 288 O THR A 22 -3.944 -4.837 -10.429 1.00 0.00 O ATOM 289 CB THR A 22 -3.121 -4.256 -7.830 1.00 0.00 C ATOM 290 OG1 THR A 22 -2.160 -3.423 -8.490 1.00 0.00 O ATOM 291 CG2 THR A 22 -2.874 -4.233 -6.329 1.00 0.00 C ATOM 0 H THR A 22 -0.950 -5.776 -8.187 1.00 0.00 H new ATOM 0 HA THR A 22 -3.839 -6.287 -7.941 1.00 0.00 H new ATOM 0 HB THR A 22 -4.124 -3.876 -8.023 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.506 -3.097 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.939 -3.208 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.624 -4.844 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.881 -4.631 -6.117 1.00 0.00 H new ATOM 299 N LYS A 23 -2.499 -6.555 -10.579 1.00 0.00 N ATOM 300 CA LYS A 23 -2.567 -6.629 -12.034 1.00 0.00 C ATOM 301 C LYS A 23 -3.983 -6.959 -12.496 1.00 0.00 C ATOM 302 O LYS A 23 -4.437 -6.472 -13.531 1.00 0.00 O ATOM 303 CB LYS A 23 -1.589 -7.683 -12.558 1.00 0.00 C ATOM 304 CG LYS A 23 -1.949 -9.102 -12.150 1.00 0.00 C ATOM 305 CD LYS A 23 -0.739 -10.020 -12.203 1.00 0.00 C ATOM 306 CE LYS A 23 -0.915 -11.226 -11.293 1.00 0.00 C ATOM 307 NZ LYS A 23 -0.455 -10.945 -9.905 1.00 0.00 N ATOM 0 H LYS A 23 -1.878 -7.241 -10.151 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.290 -5.654 -12.436 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.553 -7.625 -13.646 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.588 -7.452 -12.193 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.360 -9.098 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.727 -9.485 -12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.580 -10.356 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.152 -9.467 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.965 -11.518 -11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.356 -12.070 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.310 -11.603 -9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.104 -9.968 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.249 -11.068 -9.245 1.00 0.00 H new ATOM 321 N ASN A 24 -4.675 -7.788 -11.722 1.00 0.00 N ATOM 322 CA ASN A 24 -6.040 -8.181 -12.052 1.00 0.00 C ATOM 323 C ASN A 24 -7.044 -7.483 -11.140 1.00 0.00 C ATOM 324 O ASN A 24 -7.949 -8.116 -10.595 1.00 0.00 O ATOM 325 CB ASN A 24 -6.198 -9.699 -11.935 1.00 0.00 C ATOM 326 CG ASN A 24 -5.482 -10.442 -13.047 1.00 0.00 C ATOM 327 OD1 ASN A 24 -4.729 -11.383 -12.795 1.00 0.00 O ATOM 328 ND2 ASN A 24 -5.713 -10.020 -14.285 1.00 0.00 N ATOM 0 H ASN A 24 -4.313 -8.201 -10.862 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.239 -7.879 -13.080 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.809 -10.029 -10.972 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.258 -9.954 -11.955 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.258 -10.480 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.345 -9.236 -14.447 1.00 0.00 H new ATOM 335 N TYR A 25 -6.878 -6.175 -10.978 1.00 0.00 N ATOM 336 CA TYR A 25 -7.767 -5.391 -10.130 1.00 0.00 C ATOM 337 C TYR A 25 -8.471 -4.304 -10.938 1.00 0.00 C ATOM 338 O TYR A 25 -8.253 -4.170 -12.142 1.00 0.00 O ATOM 339 CB TYR A 25 -6.983 -4.759 -8.979 1.00 0.00 C ATOM 340 CG TYR A 25 -6.758 -5.696 -7.814 1.00 0.00 C ATOM 341 CD1 TYR A 25 -6.124 -6.919 -7.993 1.00 0.00 C ATOM 342 CD2 TYR A 25 -7.178 -5.357 -6.533 1.00 0.00 C ATOM 343 CE1 TYR A 25 -5.917 -7.778 -6.931 1.00 0.00 C ATOM 344 CE2 TYR A 25 -6.973 -6.209 -5.466 1.00 0.00 C ATOM 345 CZ TYR A 25 -6.343 -7.419 -5.670 1.00 0.00 C ATOM 346 OH TYR A 25 -6.137 -8.271 -4.609 1.00 0.00 O ATOM 0 H TYR A 25 -6.136 -5.635 -11.423 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.522 -6.062 -9.721 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.017 -4.418 -9.352 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.518 -3.877 -8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.787 -7.203 -8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.673 -4.411 -6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.424 -8.726 -7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.304 -5.929 -4.477 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.799 -7.763 -3.842 1.00 0.00 H new ATOM 356 N ARG A 26 -9.317 -3.530 -10.265 1.00 0.00 N ATOM 357 CA ARG A 26 -10.054 -2.456 -10.918 1.00 0.00 C ATOM 358 C ARG A 26 -9.773 -1.116 -10.245 1.00 0.00 C ATOM 359 O ARG A 26 -9.925 -0.975 -9.032 1.00 0.00 O ATOM 360 CB ARG A 26 -11.555 -2.748 -10.891 1.00 0.00 C ATOM 361 CG ARG A 26 -11.934 -4.054 -11.570 1.00 0.00 C ATOM 362 CD ARG A 26 -11.850 -5.227 -10.606 1.00 0.00 C ATOM 363 NE ARG A 26 -12.539 -6.408 -11.121 1.00 0.00 N ATOM 364 CZ ARG A 26 -12.671 -7.539 -10.435 1.00 0.00 C ATOM 365 NH1 ARG A 26 -12.164 -7.641 -9.215 1.00 0.00 N ATOM 366 NH2 ARG A 26 -13.311 -8.570 -10.971 1.00 0.00 N ATOM 0 H ARG A 26 -9.508 -3.627 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.721 -2.399 -11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.893 -2.776 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.085 -1.929 -11.377 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.947 -3.979 -11.966 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.272 -4.230 -12.418 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.804 -5.470 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.286 -4.942 -9.649 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.940 -6.362 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.671 -6.850 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.267 -8.510 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.702 -8.495 -11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.412 -9.438 -10.444 1.00 0.00 H new ATOM 380 N GLY A 27 -9.361 -0.133 -11.040 1.00 0.00 N ATOM 381 CA GLY A 27 -9.065 1.182 -10.503 1.00 0.00 C ATOM 382 C GLY A 27 -7.772 1.208 -9.713 1.00 0.00 C ATOM 383 O GLY A 27 -7.640 1.961 -8.748 1.00 0.00 O ATOM 0 H GLY A 27 -9.227 -0.224 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.002 1.899 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.886 1.502 -9.861 1.00 0.00 H new ATOM 387 N VAL A 28 -6.814 0.381 -10.121 1.00 0.00 N ATOM 388 CA VAL A 28 -5.525 0.311 -9.444 1.00 0.00 C ATOM 389 C VAL A 28 -4.388 0.683 -10.388 1.00 0.00 C ATOM 390 O VAL A 28 -3.796 -0.181 -11.036 1.00 0.00 O ATOM 391 CB VAL A 28 -5.265 -1.097 -8.875 1.00 0.00 C ATOM 392 CG1 VAL A 28 -3.917 -1.148 -8.172 1.00 0.00 C ATOM 393 CG2 VAL A 28 -6.385 -1.503 -7.928 1.00 0.00 C ATOM 0 H VAL A 28 -6.907 -0.250 -10.917 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.560 1.026 -8.622 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.244 -1.807 -9.702 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.751 -2.150 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.127 -0.902 -8.882 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.906 -0.428 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.186 -2.500 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.440 -0.792 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.333 -1.508 -8.466 1.00 0.00 H new ATOM 403 N LYS A 29 -4.086 1.975 -10.462 1.00 0.00 N ATOM 404 CA LYS A 29 -3.017 2.464 -11.325 1.00 0.00 C ATOM 405 C LYS A 29 -1.938 3.168 -10.510 1.00 0.00 C ATOM 406 O LYS A 29 -1.962 4.389 -10.354 1.00 0.00 O ATOM 407 CB LYS A 29 -3.582 3.420 -12.378 1.00 0.00 C ATOM 408 CG LYS A 29 -2.522 4.020 -13.286 1.00 0.00 C ATOM 409 CD LYS A 29 -3.144 4.855 -14.393 1.00 0.00 C ATOM 410 CE LYS A 29 -3.572 6.223 -13.885 1.00 0.00 C ATOM 411 NZ LYS A 29 -4.608 6.840 -14.760 1.00 0.00 N ATOM 0 H LYS A 29 -4.567 2.703 -9.934 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.567 1.607 -11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.311 2.886 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.116 4.226 -11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.846 4.640 -12.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.923 3.222 -13.724 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.428 4.975 -15.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.007 4.332 -14.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.962 6.128 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.703 6.879 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.873 7.771 -14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.228 6.954 -15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.447 6.226 -14.790 1.00 0.00 H new ATOM 425 N ILE A 30 -0.991 2.391 -9.994 1.00 0.00 N ATOM 426 CA ILE A 30 0.098 2.941 -9.197 1.00 0.00 C ATOM 427 C ILE A 30 1.041 3.775 -10.057 1.00 0.00 C ATOM 428 O ILE A 30 2.152 3.349 -10.375 1.00 0.00 O ATOM 429 CB ILE A 30 0.905 1.828 -8.502 1.00 0.00 C ATOM 430 CG1 ILE A 30 0.006 1.035 -7.551 1.00 0.00 C ATOM 431 CG2 ILE A 30 2.087 2.422 -7.750 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.699 -0.127 -8.215 1.00 0.00 C ATOM 0 H ILE A 30 -0.956 1.379 -10.114 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.357 3.577 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 30 1.288 1.147 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.608 0.660 -6.723 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.739 1.706 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.648 1.623 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.737 2.947 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.725 3.121 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.318 -0.644 -7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.328 0.243 -9.025 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.040 -0.819 -8.618 1.00 0.00 H new ATOM 444 N THR A 31 0.592 4.970 -10.431 1.00 0.00 N ATOM 445 CA THR A 31 1.395 5.865 -11.254 1.00 0.00 C ATOM 446 C THR A 31 2.404 6.633 -10.408 1.00 0.00 C ATOM 447 O THR A 31 3.487 6.978 -10.878 1.00 0.00 O ATOM 448 CB THR A 31 0.511 6.871 -12.017 1.00 0.00 C ATOM 449 OG1 THR A 31 1.303 7.600 -12.961 1.00 0.00 O ATOM 450 CG2 THR A 31 -0.161 7.839 -11.055 1.00 0.00 C ATOM 0 H THR A 31 -0.324 5.340 -10.176 1.00 0.00 H new ATOM 0 HA THR A 31 1.927 5.241 -11.972 1.00 0.00 H new ATOM 0 HB THR A 31 -0.263 6.314 -12.546 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.734 8.236 -13.443 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.780 8.539 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.786 7.283 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.600 8.390 -10.502 1.00 0.00 H new ATOM 458 N ASN A 32 2.041 6.896 -9.157 1.00 0.00 N ATOM 459 CA ASN A 32 2.916 7.623 -8.244 1.00 0.00 C ATOM 460 C ASN A 32 2.907 6.986 -6.858 1.00 0.00 C ATOM 461 O ASN A 32 2.228 5.984 -6.628 1.00 0.00 O ATOM 462 CB ASN A 32 2.483 9.087 -8.147 1.00 0.00 C ATOM 463 CG ASN A 32 2.311 9.730 -9.510 1.00 0.00 C ATOM 464 OD1 ASN A 32 3.063 9.446 -10.442 1.00 0.00 O ATOM 465 ND2 ASN A 32 1.317 10.603 -9.631 1.00 0.00 N ATOM 0 H ASN A 32 1.147 6.617 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 32 3.931 7.576 -8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.544 9.150 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.225 9.645 -7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.153 11.068 -10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.718 10.808 -8.831 1.00 0.00 H new ATOM 472 N PHE A 33 3.664 7.573 -5.937 1.00 0.00 N ATOM 473 CA PHE A 33 3.744 7.063 -4.574 1.00 0.00 C ATOM 474 C PHE A 33 3.218 8.092 -3.577 1.00 0.00 C ATOM 475 O PHE A 33 3.591 8.084 -2.403 1.00 0.00 O ATOM 476 CB PHE A 33 5.188 6.693 -4.228 1.00 0.00 C ATOM 477 CG PHE A 33 5.603 5.347 -4.749 1.00 0.00 C ATOM 478 CD1 PHE A 33 4.964 4.196 -4.317 1.00 0.00 C ATOM 479 CD2 PHE A 33 6.631 5.233 -5.671 1.00 0.00 C ATOM 480 CE1 PHE A 33 5.345 2.956 -4.794 1.00 0.00 C ATOM 481 CE2 PHE A 33 7.016 3.995 -6.151 1.00 0.00 C ATOM 482 CZ PHE A 33 6.371 2.855 -5.713 1.00 0.00 C ATOM 0 H PHE A 33 4.231 8.403 -6.110 1.00 0.00 H new ATOM 0 HA PHE A 33 3.123 6.170 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.856 7.453 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.309 6.708 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.160 4.269 -3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.137 6.121 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.840 2.066 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.820 3.919 -6.868 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.668 1.887 -6.088 1.00 0.00 H new ATOM 492 N THR A 34 2.349 8.978 -4.053 1.00 0.00 N ATOM 493 CA THR A 34 1.773 10.014 -3.205 1.00 0.00 C ATOM 494 C THR A 34 0.249 9.968 -3.239 1.00 0.00 C ATOM 495 O THR A 34 -0.393 9.571 -2.266 1.00 0.00 O ATOM 496 CB THR A 34 2.242 11.417 -3.635 1.00 0.00 C ATOM 497 OG1 THR A 34 2.005 11.605 -5.035 1.00 0.00 O ATOM 498 CG2 THR A 34 3.721 11.608 -3.337 1.00 0.00 C ATOM 0 H THR A 34 2.029 8.999 -5.021 1.00 0.00 H new ATOM 0 HA THR A 34 2.118 9.819 -2.189 1.00 0.00 H new ATOM 0 HB THR A 34 1.675 12.155 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.304 12.500 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.029 12.606 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.894 11.493 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.301 10.862 -3.881 1.00 0.00 H new ATOM 506 N THR A 35 -0.326 10.376 -4.367 1.00 0.00 N ATOM 507 CA THR A 35 -1.774 10.381 -4.527 1.00 0.00 C ATOM 508 C THR A 35 -2.309 8.969 -4.738 1.00 0.00 C ATOM 509 O THR A 35 -3.278 8.560 -4.098 1.00 0.00 O ATOM 510 CB THR A 35 -2.205 11.264 -5.714 1.00 0.00 C ATOM 511 OG1 THR A 35 -1.595 10.793 -6.921 1.00 0.00 O ATOM 512 CG2 THR A 35 -1.817 12.716 -5.477 1.00 0.00 C ATOM 0 H THR A 35 0.190 10.707 -5.182 1.00 0.00 H new ATOM 0 HA THR A 35 -2.192 10.791 -3.608 1.00 0.00 H new ATOM 0 HB THR A 35 -3.289 11.205 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.875 11.358 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.131 13.320 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.305 13.080 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.736 12.789 -5.360 1.00 0.00 H new ATOM 520 N SER A 36 -1.672 8.229 -5.640 1.00 0.00 N ATOM 521 CA SER A 36 -2.087 6.863 -5.937 1.00 0.00 C ATOM 522 C SER A 36 -2.374 6.090 -4.653 1.00 0.00 C ATOM 523 O SER A 36 -3.112 5.105 -4.661 1.00 0.00 O ATOM 524 CB SER A 36 -1.006 6.144 -6.747 1.00 0.00 C ATOM 525 OG SER A 36 -1.137 4.737 -6.638 1.00 0.00 O ATOM 0 H SER A 36 -0.867 8.552 -6.177 1.00 0.00 H new ATOM 0 HA SER A 36 -3.003 6.908 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.076 6.439 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.020 6.449 -6.395 1.00 0.00 H new ATOM 0 HG SER A 36 -0.270 4.345 -6.404 1.00 0.00 H new ATOM 531 N TRP A 37 -1.784 6.544 -3.553 1.00 0.00 N ATOM 532 CA TRP A 37 -1.976 5.896 -2.261 1.00 0.00 C ATOM 533 C TRP A 37 -2.791 6.781 -1.324 1.00 0.00 C ATOM 534 O TRP A 37 -3.445 6.289 -0.404 1.00 0.00 O ATOM 535 CB TRP A 37 -0.623 5.570 -1.625 1.00 0.00 C ATOM 536 CG TRP A 37 0.286 4.794 -2.530 1.00 0.00 C ATOM 537 CD1 TRP A 37 1.148 5.303 -3.458 1.00 0.00 C ATOM 538 CD2 TRP A 37 0.421 3.370 -2.592 1.00 0.00 C ATOM 539 NE1 TRP A 37 1.811 4.281 -4.094 1.00 0.00 N ATOM 540 CE2 TRP A 37 1.383 3.086 -3.581 1.00 0.00 C ATOM 541 CE3 TRP A 37 -0.176 2.307 -1.909 1.00 0.00 C ATOM 542 CZ2 TRP A 37 1.759 1.784 -3.901 1.00 0.00 C ATOM 543 CZ3 TRP A 37 0.198 1.016 -2.227 1.00 0.00 C ATOM 544 CH2 TRP A 37 1.159 0.763 -3.215 1.00 0.00 C ATOM 0 H TRP A 37 -1.169 7.358 -3.530 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.526 4.969 -2.425 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.131 6.499 -1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.787 5.000 -0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.288 6.354 -3.662 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.509 4.394 -4.829 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.917 2.492 -1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.498 1.587 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.258 0.187 -1.705 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.431 -0.258 -3.440 1.00 0.00 H new ATOM 555 N ARG A 38 -2.748 8.087 -1.563 1.00 0.00 N ATOM 556 CA ARG A 38 -3.482 9.040 -0.740 1.00 0.00 C ATOM 557 C ARG A 38 -4.840 8.474 -0.334 1.00 0.00 C ATOM 558 O ARG A 38 -5.215 8.514 0.837 1.00 0.00 O ATOM 559 CB ARG A 38 -3.672 10.358 -1.493 1.00 0.00 C ATOM 560 CG ARG A 38 -4.638 11.314 -0.813 1.00 0.00 C ATOM 561 CD ARG A 38 -4.714 12.644 -1.546 1.00 0.00 C ATOM 562 NE ARG A 38 -5.335 12.509 -2.861 1.00 0.00 N ATOM 563 CZ ARG A 38 -5.533 13.530 -3.689 1.00 0.00 C ATOM 564 NH1 ARG A 38 -5.160 14.753 -3.339 1.00 0.00 N ATOM 565 NH2 ARG A 38 -6.104 13.327 -4.869 1.00 0.00 N ATOM 0 H ARG A 38 -2.212 8.510 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.900 9.226 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.704 10.848 -1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.034 10.143 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.629 10.863 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.321 11.482 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.283 13.356 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.710 13.053 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.633 11.581 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.720 14.912 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.313 15.535 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.391 12.387 -5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.256 14.111 -5.504 1.00 0.00 H new ATOM 579 N ASN A 39 -5.572 7.947 -1.310 1.00 0.00 N ATOM 580 CA ASN A 39 -6.888 7.374 -1.054 1.00 0.00 C ATOM 581 C ASN A 39 -6.777 6.114 -0.201 1.00 0.00 C ATOM 582 O ASN A 39 -7.517 5.940 0.766 1.00 0.00 O ATOM 583 CB ASN A 39 -7.591 7.049 -2.374 1.00 0.00 C ATOM 584 CG ASN A 39 -6.635 6.506 -3.420 1.00 0.00 C ATOM 585 OD1 ASN A 39 -5.547 6.030 -3.095 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.038 6.577 -4.683 1.00 0.00 N ATOM 0 H ASN A 39 -5.276 7.905 -2.285 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.477 8.110 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.380 6.319 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.072 7.949 -2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.437 6.229 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.948 6.980 -4.906 1.00 0.00 H new ATOM 593 N GLY A 40 -5.845 5.239 -0.566 1.00 0.00 N ATOM 594 CA GLY A 40 -5.653 4.007 0.176 1.00 0.00 C ATOM 595 C GLY A 40 -6.191 2.796 -0.560 1.00 0.00 C ATOM 596 O GLY A 40 -6.609 1.818 0.060 1.00 0.00 O ATOM 0 H GLY A 40 -5.220 5.361 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.590 3.866 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.147 4.089 1.144 1.00 0.00 H new ATOM 600 N LEU A 41 -6.182 2.861 -1.887 1.00 0.00 N ATOM 601 CA LEU A 41 -6.675 1.761 -2.710 1.00 0.00 C ATOM 602 C LEU A 41 -5.638 0.646 -2.806 1.00 0.00 C ATOM 603 O LEU A 41 -5.886 -0.483 -2.385 1.00 0.00 O ATOM 604 CB LEU A 41 -7.029 2.265 -4.110 1.00 0.00 C ATOM 605 CG LEU A 41 -8.262 3.165 -4.207 1.00 0.00 C ATOM 606 CD1 LEU A 41 -8.505 3.583 -5.649 1.00 0.00 C ATOM 607 CD2 LEU A 41 -9.485 2.456 -3.642 1.00 0.00 C ATOM 0 H LEU A 41 -5.839 3.663 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.571 1.359 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.173 2.812 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.182 1.402 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.081 4.063 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.386 4.223 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.638 4.130 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.665 2.697 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.353 3.111 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.669 1.542 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.310 2.207 -2.595 1.00 0.00 H new ATOM 619 N SER A 42 -4.475 0.973 -3.361 1.00 0.00 N ATOM 620 CA SER A 42 -3.401 -0.002 -3.513 1.00 0.00 C ATOM 621 C SER A 42 -3.121 -0.713 -2.193 1.00 0.00 C ATOM 622 O SER A 42 -2.747 -1.885 -2.173 1.00 0.00 O ATOM 623 CB SER A 42 -2.130 0.684 -4.017 1.00 0.00 C ATOM 624 OG SER A 42 -2.314 1.206 -5.321 1.00 0.00 O ATOM 0 H SER A 42 -4.253 1.904 -3.712 1.00 0.00 H new ATOM 0 HA SER A 42 -3.719 -0.745 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.853 1.489 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.305 -0.029 -4.020 1.00 0.00 H new ATOM 0 HG SER A 42 -2.020 2.141 -5.344 1.00 0.00 H new ATOM 630 N PHE A 43 -3.304 0.007 -1.091 1.00 0.00 N ATOM 631 CA PHE A 43 -3.070 -0.553 0.235 1.00 0.00 C ATOM 632 C PHE A 43 -4.045 -1.690 0.525 1.00 0.00 C ATOM 633 O PHE A 43 -3.651 -2.753 1.007 1.00 0.00 O ATOM 634 CB PHE A 43 -3.205 0.535 1.303 1.00 0.00 C ATOM 635 CG PHE A 43 -1.949 1.331 1.510 1.00 0.00 C ATOM 636 CD1 PHE A 43 -0.748 0.695 1.781 1.00 0.00 C ATOM 637 CD2 PHE A 43 -1.969 2.714 1.434 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.410 1.425 1.974 1.00 0.00 C ATOM 639 CE2 PHE A 43 -0.814 3.449 1.625 1.00 0.00 C ATOM 640 CZ PHE A 43 0.377 2.804 1.894 1.00 0.00 C ATOM 0 H PHE A 43 -3.613 0.979 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.056 -0.952 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.012 1.211 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.492 0.072 2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.716 -0.383 1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.897 3.224 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.339 0.918 2.187 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.843 4.527 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.281 3.376 2.042 1.00 0.00 H new ATOM 650 N CYS A 44 -5.319 -1.458 0.229 1.00 0.00 N ATOM 651 CA CYS A 44 -6.353 -2.462 0.459 1.00 0.00 C ATOM 652 C CYS A 44 -6.280 -3.567 -0.590 1.00 0.00 C ATOM 653 O CYS A 44 -6.507 -4.738 -0.288 1.00 0.00 O ATOM 654 CB CYS A 44 -7.737 -1.813 0.439 1.00 0.00 C ATOM 655 SG CYS A 44 -8.170 -0.949 1.967 1.00 0.00 S ATOM 0 H CYS A 44 -5.661 -0.584 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.183 -2.905 1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.783 -1.107 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.484 -2.582 0.245 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.449 0.127 2.076 1.00 0.00 H new ATOM 661 N ALA A 45 -5.964 -3.185 -1.823 1.00 0.00 N ATOM 662 CA ALA A 45 -5.862 -4.143 -2.916 1.00 0.00 C ATOM 663 C ALA A 45 -4.789 -5.189 -2.631 1.00 0.00 C ATOM 664 O ALA A 45 -5.019 -6.388 -2.796 1.00 0.00 O ATOM 665 CB ALA A 45 -5.564 -3.423 -4.223 1.00 0.00 C ATOM 0 H ALA A 45 -5.774 -2.219 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.819 -4.657 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.490 -4.151 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.366 -2.718 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.621 -2.883 -4.134 1.00 0.00 H new ATOM 671 N ILE A 46 -3.619 -4.729 -2.203 1.00 0.00 N ATOM 672 CA ILE A 46 -2.512 -5.625 -1.895 1.00 0.00 C ATOM 673 C ILE A 46 -2.909 -6.642 -0.830 1.00 0.00 C ATOM 674 O ILE A 46 -2.864 -7.851 -1.063 1.00 0.00 O ATOM 675 CB ILE A 46 -1.275 -4.846 -1.409 1.00 0.00 C ATOM 676 CG1 ILE A 46 -0.691 -4.011 -2.550 1.00 0.00 C ATOM 677 CG2 ILE A 46 -0.229 -5.804 -0.858 1.00 0.00 C ATOM 678 CD1 ILE A 46 -0.001 -2.749 -2.082 1.00 0.00 C ATOM 0 H ILE A 46 -3.413 -3.740 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.262 -6.147 -2.819 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.580 -4.171 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.021 -4.620 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.491 -3.744 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.639 -5.239 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.650 -6.360 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.074 -6.500 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.389 -2.207 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.715 -2.120 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.821 -3.010 -1.415 1.00 0.00 H new ATOM 690 N LEU A 47 -3.298 -6.146 0.339 1.00 0.00 N ATOM 691 CA LEU A 47 -3.705 -7.011 1.441 1.00 0.00 C ATOM 692 C LEU A 47 -4.864 -7.912 1.026 1.00 0.00 C ATOM 693 O LEU A 47 -5.051 -8.995 1.580 1.00 0.00 O ATOM 694 CB LEU A 47 -4.107 -6.170 2.654 1.00 0.00 C ATOM 695 CG LEU A 47 -4.497 -6.949 3.910 1.00 0.00 C ATOM 696 CD1 LEU A 47 -3.268 -7.563 4.562 1.00 0.00 C ATOM 697 CD2 LEU A 47 -5.228 -6.045 4.892 1.00 0.00 C ATOM 0 H LEU A 47 -3.340 -5.149 0.549 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.857 -7.641 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.277 -5.509 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.946 -5.535 2.369 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.169 -7.756 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.566 -8.113 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.785 -8.243 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.570 -6.773 4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.498 -6.616 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.579 -5.217 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.131 -5.654 4.424 1.00 0.00 H new ATOM 709 N HIS A 48 -5.638 -7.458 0.045 1.00 0.00 N ATOM 710 CA HIS A 48 -6.778 -8.224 -0.446 1.00 0.00 C ATOM 711 C HIS A 48 -6.327 -9.290 -1.441 1.00 0.00 C ATOM 712 O HIS A 48 -7.033 -10.271 -1.676 1.00 0.00 O ATOM 713 CB HIS A 48 -7.798 -7.295 -1.105 1.00 0.00 C ATOM 714 CG HIS A 48 -9.074 -7.981 -1.487 1.00 0.00 C ATOM 715 ND1 HIS A 48 -9.203 -8.750 -2.625 1.00 0.00 N ATOM 716 CD2 HIS A 48 -10.280 -8.013 -0.875 1.00 0.00 C ATOM 717 CE1 HIS A 48 -10.434 -9.223 -2.696 1.00 0.00 C ATOM 718 NE2 HIS A 48 -11.108 -8.790 -1.646 1.00 0.00 N ATOM 0 H HIS A 48 -5.496 -6.564 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.245 -8.719 0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.026 -6.476 -0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.352 -6.853 -1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.543 -7.519 0.049 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.823 -9.856 -3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.085 -8.999 -1.441 1.00 0.00 H new ATOM 727 N HIS A 49 -5.148 -9.090 -2.021 1.00 0.00 N ATOM 728 CA HIS A 49 -4.604 -10.035 -2.991 1.00 0.00 C ATOM 729 C HIS A 49 -4.283 -11.370 -2.327 1.00 0.00 C ATOM 730 O HIS A 49 -4.818 -12.410 -2.710 1.00 0.00 O ATOM 731 CB HIS A 49 -3.346 -9.460 -3.643 1.00 0.00 C ATOM 732 CG HIS A 49 -2.841 -10.276 -4.793 1.00 0.00 C ATOM 733 ND1 HIS A 49 -1.593 -10.702 -5.096 1.00 0.00 N flip ATOM 734 CD2 HIS A 49 -3.660 -10.749 -5.797 1.00 0.00 C flip ATOM 735 CE1 HIS A 49 -1.679 -11.418 -6.265 1.00 0.00 C flip ATOM 736 NE2 HIS A 49 -2.937 -11.431 -6.667 1.00 0.00 N flip ATOM 0 H HIS A 49 -4.551 -8.283 -1.837 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.358 -10.204 -3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.557 -8.449 -3.991 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.561 -9.381 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -4.726 -10.587 -5.862 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.853 -11.893 -6.773 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.290 -11.890 -7.507 1.00 0.00 H new ATOM 745 N PHE A 50 -3.405 -11.333 -1.329 1.00 0.00 N ATOM 746 CA PHE A 50 -3.011 -12.541 -0.613 1.00 0.00 C ATOM 747 C PHE A 50 -4.142 -13.036 0.283 1.00 0.00 C ATOM 748 O PHE A 50 -4.410 -14.235 0.358 1.00 0.00 O ATOM 749 CB PHE A 50 -1.759 -12.276 0.227 1.00 0.00 C ATOM 750 CG PHE A 50 -0.697 -11.509 -0.507 1.00 0.00 C ATOM 751 CD1 PHE A 50 0.170 -12.156 -1.374 1.00 0.00 C ATOM 752 CD2 PHE A 50 -0.563 -10.141 -0.329 1.00 0.00 C ATOM 753 CE1 PHE A 50 1.148 -11.453 -2.051 1.00 0.00 C ATOM 754 CE2 PHE A 50 0.413 -9.433 -1.004 1.00 0.00 C ATOM 755 CZ PHE A 50 1.271 -10.090 -1.865 1.00 0.00 C ATOM 0 H PHE A 50 -2.953 -10.480 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.790 -13.314 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.042 -11.723 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.345 -13.228 0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.080 -13.222 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.229 -9.623 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.816 -11.969 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.505 -8.367 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.036 -9.539 -2.391 1.00 0.00 H new ATOM 765 N ARG A 51 -4.803 -12.103 0.960 1.00 0.00 N ATOM 766 CA ARG A 51 -5.905 -12.444 1.853 1.00 0.00 C ATOM 767 C ARG A 51 -7.093 -11.513 1.629 1.00 0.00 C ATOM 768 O ARG A 51 -7.278 -10.521 2.335 1.00 0.00 O ATOM 769 CB ARG A 51 -5.451 -12.367 3.311 1.00 0.00 C ATOM 770 CG ARG A 51 -6.187 -13.328 4.230 1.00 0.00 C ATOM 771 CD ARG A 51 -6.094 -14.760 3.727 1.00 0.00 C ATOM 772 NE ARG A 51 -7.193 -15.097 2.827 1.00 0.00 N ATOM 773 CZ ARG A 51 -7.423 -16.324 2.373 1.00 0.00 C ATOM 774 NH1 ARG A 51 -6.634 -17.326 2.735 1.00 0.00 N ATOM 775 NH2 ARG A 51 -8.444 -16.551 1.556 1.00 0.00 N ATOM 0 H ARG A 51 -4.595 -11.106 0.908 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.217 -13.464 1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.382 -12.576 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.594 -11.349 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.768 -13.266 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.234 -13.034 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.145 -14.901 3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.099 -15.443 4.576 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.819 -14.349 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.849 -17.155 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.812 -18.267 2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.054 -15.783 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.619 -17.494 1.208 1.00 0.00 H new ATOM 789 N PRO A 52 -7.919 -11.837 0.623 1.00 0.00 N ATOM 790 CA PRO A 52 -9.103 -11.043 0.283 1.00 0.00 C ATOM 791 C PRO A 52 -10.195 -11.148 1.343 1.00 0.00 C ATOM 792 O PRO A 52 -11.252 -10.530 1.221 1.00 0.00 O ATOM 793 CB PRO A 52 -9.577 -11.660 -1.035 1.00 0.00 C ATOM 794 CG PRO A 52 -9.065 -13.058 -1.006 1.00 0.00 C ATOM 795 CD PRO A 52 -7.760 -13.005 -0.260 1.00 0.00 C ATOM 0 HA PRO A 52 -8.875 -9.979 0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.664 -11.638 -1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.184 -11.113 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.772 -13.722 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.922 -13.442 -2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.585 -13.918 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.915 -12.885 -0.937 1.00 0.00 H new ATOM 803 N ASP A 53 -9.931 -11.933 2.381 1.00 0.00 N ATOM 804 CA ASP A 53 -10.891 -12.117 3.464 1.00 0.00 C ATOM 805 C ASP A 53 -10.520 -11.261 4.671 1.00 0.00 C ATOM 806 O ASP A 53 -11.038 -11.461 5.770 1.00 0.00 O ATOM 807 CB ASP A 53 -10.959 -13.590 3.869 1.00 0.00 C ATOM 808 CG ASP A 53 -12.187 -13.906 4.700 1.00 0.00 C ATOM 809 OD1 ASP A 53 -13.311 -13.667 4.212 1.00 0.00 O ATOM 810 OD2 ASP A 53 -12.024 -14.391 5.840 1.00 0.00 O ATOM 0 H ASP A 53 -9.061 -12.452 2.496 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.871 -11.801 3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.961 -14.210 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.064 -13.850 4.435 1.00 0.00 H new ATOM 815 N LEU A 54 -9.620 -10.307 4.459 1.00 0.00 N ATOM 816 CA LEU A 54 -9.178 -9.421 5.530 1.00 0.00 C ATOM 817 C LEU A 54 -9.776 -8.028 5.365 1.00 0.00 C ATOM 818 O LEU A 54 -9.964 -7.303 6.342 1.00 0.00 O ATOM 819 CB LEU A 54 -7.651 -9.334 5.549 1.00 0.00 C ATOM 820 CG LEU A 54 -6.914 -10.565 6.079 1.00 0.00 C ATOM 821 CD1 LEU A 54 -5.416 -10.309 6.132 1.00 0.00 C ATOM 822 CD2 LEU A 54 -7.441 -10.950 7.454 1.00 0.00 C ATOM 0 H LEU A 54 -9.182 -10.127 3.555 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.524 -9.835 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.306 -9.138 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.364 -8.475 6.155 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.095 -11.396 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.909 -11.196 6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.050 -10.082 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.214 -9.465 6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.906 -11.828 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.290 -10.122 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.505 -11.177 7.386 1.00 0.00 H new ATOM 834 N ILE A 55 -10.075 -7.661 4.123 1.00 0.00 N ATOM 835 CA ILE A 55 -10.655 -6.356 3.832 1.00 0.00 C ATOM 836 C ILE A 55 -11.923 -6.493 2.996 1.00 0.00 C ATOM 837 O ILE A 55 -12.375 -7.602 2.711 1.00 0.00 O ATOM 838 CB ILE A 55 -9.657 -5.450 3.086 1.00 0.00 C ATOM 839 CG1 ILE A 55 -8.220 -5.848 3.428 1.00 0.00 C ATOM 840 CG2 ILE A 55 -9.906 -3.990 3.434 1.00 0.00 C ATOM 841 CD1 ILE A 55 -7.640 -6.883 2.490 1.00 0.00 C ATOM 0 H ILE A 55 -9.925 -8.249 3.303 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.902 -5.899 4.790 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.803 -5.578 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.591 -4.958 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.192 -6.236 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.193 -3.362 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.920 -3.715 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.783 -3.846 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.619 -7.117 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.246 -7.788 2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.636 -6.491 1.473 1.00 0.00 H new ATOM 853 N ASP A 56 -12.492 -5.358 2.604 1.00 0.00 N ATOM 854 CA ASP A 56 -13.707 -5.350 1.797 1.00 0.00 C ATOM 855 C ASP A 56 -13.453 -4.706 0.438 1.00 0.00 C ATOM 856 O ASP A 56 -14.366 -4.162 -0.183 1.00 0.00 O ATOM 857 CB ASP A 56 -14.825 -4.605 2.528 1.00 0.00 C ATOM 858 CG ASP A 56 -16.190 -4.873 1.925 1.00 0.00 C ATOM 859 OD1 ASP A 56 -16.500 -6.054 1.662 1.00 0.00 O ATOM 860 OD2 ASP A 56 -16.948 -3.903 1.716 1.00 0.00 O ATOM 0 H ASP A 56 -12.131 -4.432 2.832 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.014 -6.383 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.830 -4.902 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.623 -3.534 2.500 1.00 0.00 H new ATOM 865 N TYR A 57 -12.207 -4.771 -0.018 1.00 0.00 N ATOM 866 CA TYR A 57 -11.831 -4.191 -1.302 1.00 0.00 C ATOM 867 C TYR A 57 -12.769 -4.664 -2.409 1.00 0.00 C ATOM 868 O TYR A 57 -12.870 -4.039 -3.464 1.00 0.00 O ATOM 869 CB TYR A 57 -10.388 -4.560 -1.650 1.00 0.00 C ATOM 870 CG TYR A 57 -9.853 -3.835 -2.864 1.00 0.00 C ATOM 871 CD1 TYR A 57 -10.294 -4.158 -4.141 1.00 0.00 C ATOM 872 CD2 TYR A 57 -8.908 -2.825 -2.734 1.00 0.00 C ATOM 873 CE1 TYR A 57 -9.808 -3.499 -5.253 1.00 0.00 C ATOM 874 CE2 TYR A 57 -8.417 -2.159 -3.840 1.00 0.00 C ATOM 875 CZ TYR A 57 -8.870 -2.500 -5.098 1.00 0.00 C ATOM 876 OH TYR A 57 -8.384 -1.840 -6.203 1.00 0.00 O ATOM 0 H TYR A 57 -11.440 -5.220 0.483 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.912 -3.107 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -9.749 -4.339 -0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.328 -5.634 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.030 -4.938 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -8.551 -2.556 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.161 -3.765 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.683 -1.376 -3.721 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.443 -0.873 -6.058 1.00 0.00 H new ATOM 886 N LYS A 58 -13.456 -5.774 -2.159 1.00 0.00 N ATOM 887 CA LYS A 58 -14.388 -6.333 -3.130 1.00 0.00 C ATOM 888 C LYS A 58 -15.518 -5.352 -3.427 1.00 0.00 C ATOM 889 O LYS A 58 -16.055 -5.324 -4.534 1.00 0.00 O ATOM 890 CB LYS A 58 -14.967 -7.652 -2.613 1.00 0.00 C ATOM 891 CG LYS A 58 -15.856 -7.489 -1.393 1.00 0.00 C ATOM 892 CD LYS A 58 -16.676 -8.741 -1.129 1.00 0.00 C ATOM 893 CE LYS A 58 -15.845 -9.818 -0.449 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.692 -10.765 0.328 1.00 0.00 N ATOM 0 H LYS A 58 -13.384 -6.304 -1.291 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.841 -6.521 -4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.541 -8.124 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.147 -8.327 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.241 -7.265 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.524 -6.640 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.532 -8.491 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.070 -9.124 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.280 -10.369 -1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.119 -9.351 0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.088 -11.483 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.212 -10.243 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.368 -11.230 -0.311 1.00 0.00 H new ATOM 908 N SER A 59 -15.873 -4.547 -2.431 1.00 0.00 N ATOM 909 CA SER A 59 -16.941 -3.565 -2.584 1.00 0.00 C ATOM 910 C SER A 59 -16.490 -2.191 -2.099 1.00 0.00 C ATOM 911 O SER A 59 -17.283 -1.418 -1.561 1.00 0.00 O ATOM 912 CB SER A 59 -18.185 -4.008 -1.811 1.00 0.00 C ATOM 913 OG SER A 59 -19.336 -3.310 -2.254 1.00 0.00 O ATOM 0 H SER A 59 -15.437 -4.555 -1.509 1.00 0.00 H new ATOM 0 HA SER A 59 -17.186 -3.494 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.334 -5.080 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.037 -3.832 -0.746 1.00 0.00 H new ATOM 0 HG SER A 59 -19.178 -2.345 -2.190 1.00 0.00 H new ATOM 919 N LEU A 60 -15.210 -1.893 -2.294 1.00 0.00 N ATOM 920 CA LEU A 60 -14.651 -0.612 -1.877 1.00 0.00 C ATOM 921 C LEU A 60 -14.735 0.412 -3.004 1.00 0.00 C ATOM 922 O LEU A 60 -15.263 0.125 -4.078 1.00 0.00 O ATOM 923 CB LEU A 60 -13.195 -0.786 -1.440 1.00 0.00 C ATOM 924 CG LEU A 60 -12.978 -1.260 -0.002 1.00 0.00 C ATOM 925 CD1 LEU A 60 -11.525 -1.078 0.407 1.00 0.00 C ATOM 926 CD2 LEU A 60 -13.900 -0.512 0.950 1.00 0.00 C ATOM 0 H LEU A 60 -14.540 -2.521 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.237 -0.246 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.717 -1.499 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.682 0.167 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.218 -2.322 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.390 -1.421 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.885 -1.659 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.257 -0.024 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.732 -0.862 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.691 0.556 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.938 -0.694 0.670 1.00 0.00 H new ATOM 938 N ASN A 61 -14.210 1.607 -2.752 1.00 0.00 N ATOM 939 CA ASN A 61 -14.225 2.673 -3.747 1.00 0.00 C ATOM 940 C ASN A 61 -13.286 3.806 -3.344 1.00 0.00 C ATOM 941 O ASN A 61 -12.916 3.954 -2.179 1.00 0.00 O ATOM 942 CB ASN A 61 -15.646 3.213 -3.926 1.00 0.00 C ATOM 943 CG ASN A 61 -16.449 2.406 -4.927 1.00 0.00 C ATOM 944 OD1 ASN A 61 -15.861 2.153 -6.091 1.00 0.00 O flip ATOM 945 ND2 ASN A 61 -17.585 2.014 -4.658 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.769 1.861 -1.868 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.880 2.257 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -16.158 3.207 -2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.599 4.251 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.998 2.231 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.113 1.472 -5.342 1.00 0.00 H new ATOM 952 N PRO A 62 -12.892 4.627 -4.329 1.00 0.00 N ATOM 953 CA PRO A 62 -11.992 5.762 -4.102 1.00 0.00 C ATOM 954 C PRO A 62 -12.658 6.879 -3.305 1.00 0.00 C ATOM 955 O PRO A 62 -12.061 7.930 -3.077 1.00 0.00 O ATOM 956 CB PRO A 62 -11.660 6.240 -5.517 1.00 0.00 C ATOM 957 CG PRO A 62 -12.816 5.800 -6.347 1.00 0.00 C ATOM 958 CD PRO A 62 -13.295 4.510 -5.741 1.00 0.00 C ATOM 0 HA PRO A 62 -11.117 5.478 -3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.538 7.323 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.727 5.803 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.607 6.550 -6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.518 5.656 -7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.374 4.394 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.835 3.646 -6.220 1.00 0.00 H new ATOM 966 N GLN A 63 -13.896 6.642 -2.884 1.00 0.00 N ATOM 967 CA GLN A 63 -14.642 7.629 -2.113 1.00 0.00 C ATOM 968 C GLN A 63 -14.224 7.604 -0.646 1.00 0.00 C ATOM 969 O GLN A 63 -14.574 8.497 0.125 1.00 0.00 O ATOM 970 CB GLN A 63 -16.145 7.371 -2.231 1.00 0.00 C ATOM 971 CG GLN A 63 -16.544 5.941 -1.906 1.00 0.00 C ATOM 972 CD GLN A 63 -16.065 5.498 -0.538 1.00 0.00 C ATOM 973 OE1 GLN A 63 -16.148 6.249 0.435 1.00 0.00 O ATOM 974 NE2 GLN A 63 -15.560 4.273 -0.455 1.00 0.00 N ATOM 0 H GLN A 63 -14.403 5.776 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.417 8.615 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.675 8.048 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.467 7.608 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.629 5.851 -1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.135 5.273 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.510 3.684 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.222 3.920 0.440 1.00 0.00 H new ATOM 983 N ASP A 64 -13.473 6.575 -0.269 1.00 0.00 N ATOM 984 CA ASP A 64 -13.006 6.433 1.106 1.00 0.00 C ATOM 985 C ASP A 64 -11.494 6.611 1.187 1.00 0.00 C ATOM 986 O ASP A 64 -10.734 5.795 0.664 1.00 0.00 O ATOM 987 CB ASP A 64 -13.402 5.064 1.663 1.00 0.00 C ATOM 988 CG ASP A 64 -14.760 5.084 2.337 1.00 0.00 C ATOM 989 OD1 ASP A 64 -15.200 6.176 2.754 1.00 0.00 O ATOM 990 OD2 ASP A 64 -15.382 4.007 2.447 1.00 0.00 O ATOM 0 H ASP A 64 -13.175 5.827 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.478 7.211 1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.412 4.335 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.649 4.735 2.379 1.00 0.00 H new ATOM 995 N ILE A 65 -11.063 7.682 1.844 1.00 0.00 N ATOM 996 CA ILE A 65 -9.642 7.967 1.993 1.00 0.00 C ATOM 997 C ILE A 65 -9.148 7.588 3.385 1.00 0.00 C ATOM 998 O ILE A 65 -8.191 6.827 3.532 1.00 0.00 O ATOM 999 CB ILE A 65 -9.336 9.455 1.740 1.00 0.00 C ATOM 1000 CG1 ILE A 65 -9.805 9.863 0.342 1.00 0.00 C ATOM 1001 CG2 ILE A 65 -7.848 9.725 1.905 1.00 0.00 C ATOM 1002 CD1 ILE A 65 -9.361 11.252 -0.063 1.00 0.00 C ATOM 0 H ILE A 65 -11.678 8.367 2.282 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.120 7.366 1.248 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.877 10.052 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.427 9.143 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -10.893 9.812 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.647 10.781 1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.542 9.467 2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.287 9.121 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.729 11.474 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -9.761 11.982 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -8.272 11.302 -0.057 1.00 0.00 H new ATOM 1014 N LYS A 66 -9.809 8.123 4.407 1.00 0.00 N ATOM 1015 CA LYS A 66 -9.441 7.839 5.789 1.00 0.00 C ATOM 1016 C LYS A 66 -9.820 6.412 6.172 1.00 0.00 C ATOM 1017 O LYS A 66 -9.126 5.765 6.954 1.00 0.00 O ATOM 1018 CB LYS A 66 -10.124 8.831 6.734 1.00 0.00 C ATOM 1019 CG LYS A 66 -9.831 8.572 8.202 1.00 0.00 C ATOM 1020 CD LYS A 66 -10.546 9.570 9.097 1.00 0.00 C ATOM 1021 CE LYS A 66 -10.444 10.985 8.547 1.00 0.00 C ATOM 1022 NZ LYS A 66 -11.560 11.299 7.612 1.00 0.00 N ATOM 0 H LYS A 66 -10.602 8.756 4.304 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.360 7.945 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.803 9.841 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.201 8.789 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.141 7.560 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.757 8.631 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.595 9.290 9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.116 9.536 10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.451 11.697 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.492 11.106 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.817 12.303 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.260 11.105 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.384 10.709 7.844 1.00 0.00 H new ATOM 1036 N GLU A 67 -10.926 5.929 5.613 1.00 0.00 N ATOM 1037 CA GLU A 67 -11.396 4.578 5.896 1.00 0.00 C ATOM 1038 C GLU A 67 -10.518 3.540 5.203 1.00 0.00 C ATOM 1039 O GLU A 67 -9.883 2.712 5.856 1.00 0.00 O ATOM 1040 CB GLU A 67 -12.849 4.415 5.447 1.00 0.00 C ATOM 1041 CG GLU A 67 -13.461 3.080 5.837 1.00 0.00 C ATOM 1042 CD GLU A 67 -14.962 3.162 6.037 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -15.632 3.841 5.231 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -15.466 2.548 7.001 1.00 0.00 O ATOM 0 H GLU A 67 -11.512 6.453 4.963 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.336 4.418 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.446 5.219 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.900 4.526 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.241 2.344 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.995 2.726 6.756 1.00 0.00 H new ATOM 1051 N ASN A 68 -10.488 3.591 3.875 1.00 0.00 N ATOM 1052 CA ASN A 68 -9.689 2.654 3.093 1.00 0.00 C ATOM 1053 C ASN A 68 -8.336 2.409 3.753 1.00 0.00 C ATOM 1054 O ASN A 68 -7.933 1.265 3.960 1.00 0.00 O ATOM 1055 CB ASN A 68 -9.487 3.187 1.673 1.00 0.00 C ATOM 1056 CG ASN A 68 -10.705 2.972 0.795 1.00 0.00 C ATOM 1057 OD1 ASN A 68 -11.757 2.544 1.270 1.00 0.00 O ATOM 1058 ND2 ASN A 68 -10.567 3.268 -0.492 1.00 0.00 N ATOM 0 H ASN A 68 -11.007 4.270 3.318 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.227 1.707 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.258 4.252 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.626 2.694 1.222 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.352 3.143 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.676 3.620 -0.842 1.00 0.00 H new ATOM 1065 N ASN A 69 -7.639 3.492 4.083 1.00 0.00 N ATOM 1066 CA ASN A 69 -6.331 3.395 4.720 1.00 0.00 C ATOM 1067 C ASN A 69 -6.434 2.687 6.068 1.00 0.00 C ATOM 1068 O ASN A 69 -5.787 1.665 6.296 1.00 0.00 O ATOM 1069 CB ASN A 69 -5.727 4.788 4.908 1.00 0.00 C ATOM 1070 CG ASN A 69 -4.990 5.270 3.673 1.00 0.00 C ATOM 1071 OD1 ASN A 69 -3.759 5.267 3.631 1.00 0.00 O ATOM 1072 ND2 ASN A 69 -5.741 5.687 2.661 1.00 0.00 N ATOM 0 H ASN A 69 -7.959 4.447 3.920 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.681 2.809 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.520 5.495 5.154 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.040 4.772 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.301 6.023 1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.758 5.672 2.740 1.00 0.00 H new ATOM 1079 N LYS A 70 -7.253 3.237 6.958 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.443 2.659 8.283 1.00 0.00 C ATOM 1081 C LYS A 70 -7.576 1.142 8.200 1.00 0.00 C ATOM 1082 O LYS A 70 -6.944 0.411 8.963 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.686 3.256 8.948 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.995 2.655 10.308 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.025 3.149 11.369 1.00 0.00 C ATOM 1086 CE LYS A 70 -7.896 2.154 12.512 1.00 0.00 C ATOM 1087 NZ LYS A 70 -9.063 2.214 13.435 1.00 0.00 N ATOM 0 H LYS A 70 -7.796 4.083 6.785 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.566 2.896 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.548 4.332 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.544 3.110 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.014 2.912 10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.946 1.568 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.046 3.317 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.366 4.109 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.805 1.146 12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.982 2.358 13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.937 1.521 14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.136 3.169 13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.933 1.994 12.909 1.00 0.00 H new ATOM 1101 N LYS A 71 -8.401 0.675 7.270 1.00 0.00 N ATOM 1102 CA LYS A 71 -8.616 -0.756 7.085 1.00 0.00 C ATOM 1103 C LYS A 71 -7.287 -1.491 6.939 1.00 0.00 C ATOM 1104 O LYS A 71 -6.983 -2.401 7.709 1.00 0.00 O ATOM 1105 CB LYS A 71 -9.488 -1.007 5.853 1.00 0.00 C ATOM 1106 CG LYS A 71 -10.954 -0.672 6.067 1.00 0.00 C ATOM 1107 CD LYS A 71 -11.813 -1.168 4.916 1.00 0.00 C ATOM 1108 CE LYS A 71 -11.524 -0.402 3.634 1.00 0.00 C ATOM 1109 NZ LYS A 71 -12.298 0.869 3.561 1.00 0.00 N ATOM 0 H LYS A 71 -8.933 1.267 6.632 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.128 -1.138 7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.106 -0.415 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.402 -2.055 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.298 -1.121 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.070 0.407 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.630 -2.230 4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.866 -1.062 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.458 -0.182 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.769 -1.026 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.099 1.345 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.315 0.660 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.021 1.490 4.348 1.00 0.00 H new ATOM 1123 N ALA A 72 -6.500 -1.088 5.946 1.00 0.00 N ATOM 1124 CA ALA A 72 -5.203 -1.706 5.702 1.00 0.00 C ATOM 1125 C ALA A 72 -4.362 -1.739 6.974 1.00 0.00 C ATOM 1126 O ALA A 72 -4.031 -2.810 7.484 1.00 0.00 O ATOM 1127 CB ALA A 72 -4.464 -0.965 4.597 1.00 0.00 C ATOM 0 H ALA A 72 -6.738 -0.337 5.298 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.373 -2.735 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.497 -1.438 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.052 -0.999 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.313 0.073 4.893 1.00 0.00 H new ATOM 1133 N TYR A 73 -4.018 -0.560 7.480 1.00 0.00 N ATOM 1134 CA TYR A 73 -3.212 -0.454 8.691 1.00 0.00 C ATOM 1135 C TYR A 73 -3.605 -1.526 9.702 1.00 0.00 C ATOM 1136 O TYR A 73 -2.783 -1.970 10.505 1.00 0.00 O ATOM 1137 CB TYR A 73 -3.371 0.934 9.314 1.00 0.00 C ATOM 1138 CG TYR A 73 -3.108 2.066 8.347 1.00 0.00 C ATOM 1139 CD1 TYR A 73 -2.132 1.954 7.365 1.00 0.00 C ATOM 1140 CD2 TYR A 73 -3.835 3.248 8.416 1.00 0.00 C ATOM 1141 CE1 TYR A 73 -1.888 2.986 6.479 1.00 0.00 C ATOM 1142 CE2 TYR A 73 -3.599 4.284 7.534 1.00 0.00 C ATOM 1143 CZ TYR A 73 -2.624 4.149 6.567 1.00 0.00 C ATOM 1144 OH TYR A 73 -2.385 5.179 5.687 1.00 0.00 O ATOM 0 H TYR A 73 -4.284 0.336 7.071 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.168 -0.604 8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.382 1.032 9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.689 1.024 10.159 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.554 1.045 7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.598 3.358 9.172 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.125 2.882 5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.175 5.195 7.601 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.764 4.956 4.811 1.00 0.00 H new ATOM 1154 N ASP A 74 -4.867 -1.939 9.657 1.00 0.00 N ATOM 1155 CA ASP A 74 -5.371 -2.960 10.568 1.00 0.00 C ATOM 1156 C ASP A 74 -4.916 -4.350 10.130 1.00 0.00 C ATOM 1157 O ASP A 74 -4.473 -5.155 10.948 1.00 0.00 O ATOM 1158 CB ASP A 74 -6.898 -2.907 10.634 1.00 0.00 C ATOM 1159 CG ASP A 74 -7.448 -3.602 11.863 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.373 -4.847 11.925 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -7.954 -2.901 12.764 1.00 0.00 O ATOM 0 H ASP A 74 -5.560 -1.582 8.999 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.966 -2.759 11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.223 -1.867 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.314 -3.372 9.740 1.00 0.00 H new ATOM 1166 N GLY A 75 -5.031 -4.624 8.834 1.00 0.00 N ATOM 1167 CA GLY A 75 -4.630 -5.916 8.311 1.00 0.00 C ATOM 1168 C GLY A 75 -3.125 -6.094 8.297 1.00 0.00 C ATOM 1169 O GLY A 75 -2.617 -7.177 8.589 1.00 0.00 O ATOM 0 H GLY A 75 -5.395 -3.974 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.080 -6.704 8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.016 -6.030 7.298 1.00 0.00 H new ATOM 1173 N PHE A 76 -2.408 -5.028 7.956 1.00 0.00 N ATOM 1174 CA PHE A 76 -0.951 -5.072 7.902 1.00 0.00 C ATOM 1175 C PHE A 76 -0.355 -5.070 9.307 1.00 0.00 C ATOM 1176 O PHE A 76 0.544 -5.852 9.612 1.00 0.00 O ATOM 1177 CB PHE A 76 -0.413 -3.882 7.106 1.00 0.00 C ATOM 1178 CG PHE A 76 -0.694 -3.970 5.633 1.00 0.00 C ATOM 1179 CD1 PHE A 76 -0.360 -5.108 4.917 1.00 0.00 C ATOM 1180 CD2 PHE A 76 -1.293 -2.914 4.964 1.00 0.00 C ATOM 1181 CE1 PHE A 76 -0.618 -5.192 3.562 1.00 0.00 C ATOM 1182 CE2 PHE A 76 -1.553 -2.993 3.609 1.00 0.00 C ATOM 1183 CZ PHE A 76 -1.214 -4.133 2.907 1.00 0.00 C ATOM 0 H PHE A 76 -2.812 -4.123 7.713 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.658 -5.996 7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.853 -2.965 7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.664 -3.810 7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.108 -5.939 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.559 -2.020 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.354 -6.085 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.021 -2.164 3.099 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.415 -4.196 1.848 1.00 0.00 H new ATOM 1193 N ALA A 77 -0.863 -4.184 10.157 1.00 0.00 N ATOM 1194 CA ALA A 77 -0.382 -4.079 11.529 1.00 0.00 C ATOM 1195 C ALA A 77 -0.768 -5.312 12.341 1.00 0.00 C ATOM 1196 O ALA A 77 -0.130 -5.630 13.345 1.00 0.00 O ATOM 1197 CB ALA A 77 -0.929 -2.820 12.186 1.00 0.00 C ATOM 0 H ALA A 77 -1.608 -3.529 9.920 1.00 0.00 H new ATOM 0 HA ALA A 77 0.706 -4.018 11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.561 -2.755 13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.600 -1.945 11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.018 -2.857 12.193 1.00 0.00 H new ATOM 1203 N SER A 78 -1.815 -6.001 11.900 1.00 0.00 N ATOM 1204 CA SER A 78 -2.288 -7.196 12.589 1.00 0.00 C ATOM 1205 C SER A 78 -1.187 -8.250 12.667 1.00 0.00 C ATOM 1206 O SER A 78 -0.979 -8.869 13.711 1.00 0.00 O ATOM 1207 CB SER A 78 -3.511 -7.773 11.873 1.00 0.00 C ATOM 1208 OG SER A 78 -4.708 -7.188 12.356 1.00 0.00 O ATOM 0 H SER A 78 -2.352 -5.753 11.069 1.00 0.00 H new ATOM 0 HA SER A 78 -2.569 -6.913 13.603 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.424 -7.599 10.801 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.546 -8.853 12.019 1.00 0.00 H new ATOM 0 HG SER A 78 -4.973 -6.451 11.767 1.00 0.00 H new ATOM 1214 N ILE A 79 -0.486 -8.447 11.556 1.00 0.00 N ATOM 1215 CA ILE A 79 0.594 -9.424 11.498 1.00 0.00 C ATOM 1216 C ILE A 79 1.818 -8.936 12.265 1.00 0.00 C ATOM 1217 O ILE A 79 2.527 -9.724 12.890 1.00 0.00 O ATOM 1218 CB ILE A 79 1.001 -9.729 10.044 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.143 -8.430 9.249 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.020 -10.648 9.390 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.838 -8.610 7.917 1.00 0.00 C ATOM 0 H ILE A 79 -0.646 -7.943 10.684 1.00 0.00 H new ATOM 0 HA ILE A 79 0.218 -10.337 11.960 1.00 0.00 H new ATOM 0 HB ILE A 79 1.966 -10.236 10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.153 -8.007 9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.700 -7.707 9.846 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.281 -10.854 8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.077 -11.584 9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.997 -10.165 9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.904 -7.648 7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.841 -9.003 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.270 -9.308 7.302 1.00 0.00 H new ATOM 1233 N GLY A 80 2.060 -7.630 12.214 1.00 0.00 N ATOM 1234 CA GLY A 80 3.198 -7.058 12.910 1.00 0.00 C ATOM 1235 C GLY A 80 3.928 -6.024 12.076 1.00 0.00 C ATOM 1236 O GLY A 80 5.158 -5.968 12.081 1.00 0.00 O ATOM 0 H GLY A 80 1.488 -6.957 11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.859 -6.598 13.838 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.890 -7.854 13.184 1.00 0.00 H new ATOM 1240 N ILE A 81 3.169 -5.204 11.356 1.00 0.00 N ATOM 1241 CA ILE A 81 3.751 -4.168 10.513 1.00 0.00 C ATOM 1242 C ILE A 81 3.455 -2.778 11.066 1.00 0.00 C ATOM 1243 O ILE A 81 2.408 -2.196 10.783 1.00 0.00 O ATOM 1244 CB ILE A 81 3.225 -4.256 9.068 1.00 0.00 C ATOM 1245 CG1 ILE A 81 3.523 -5.635 8.476 1.00 0.00 C ATOM 1246 CG2 ILE A 81 3.843 -3.161 8.212 1.00 0.00 C ATOM 1247 CD1 ILE A 81 2.997 -5.816 7.070 1.00 0.00 C ATOM 0 H ILE A 81 2.150 -5.238 11.340 1.00 0.00 H new ATOM 0 HA ILE A 81 4.828 -4.333 10.509 1.00 0.00 H new ATOM 0 HB ILE A 81 2.144 -4.114 9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.601 -5.796 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.087 -6.399 9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.462 -3.236 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.584 -2.186 8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.927 -3.275 8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.245 -6.816 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.915 -5.688 7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.452 -5.075 6.413 1.00 0.00 H new ATOM 1259 N SER A 82 4.386 -2.251 11.855 1.00 0.00 N ATOM 1260 CA SER A 82 4.224 -0.930 12.451 1.00 0.00 C ATOM 1261 C SER A 82 3.536 0.024 11.478 1.00 0.00 C ATOM 1262 O SER A 82 3.866 0.065 10.293 1.00 0.00 O ATOM 1263 CB SER A 82 5.584 -0.362 12.862 1.00 0.00 C ATOM 1264 OG SER A 82 6.267 -1.252 13.728 1.00 0.00 O ATOM 0 H SER A 82 5.260 -2.718 12.096 1.00 0.00 H new ATOM 0 HA SER A 82 3.598 -1.033 13.337 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.188 -0.178 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.446 0.599 13.358 1.00 0.00 H new ATOM 0 HG SER A 82 7.134 -0.867 13.975 1.00 0.00 H new ATOM 1270 N ARG A 83 2.576 0.789 11.989 1.00 0.00 N ATOM 1271 CA ARG A 83 1.840 1.741 11.167 1.00 0.00 C ATOM 1272 C ARG A 83 2.569 3.079 11.099 1.00 0.00 C ATOM 1273 O ARG A 83 2.554 3.856 12.056 1.00 0.00 O ATOM 1274 CB ARG A 83 0.429 1.944 11.724 1.00 0.00 C ATOM 1275 CG ARG A 83 -0.299 0.645 12.025 1.00 0.00 C ATOM 1276 CD ARG A 83 -1.317 0.823 13.141 1.00 0.00 C ATOM 1277 NE ARG A 83 -2.373 -0.185 13.085 1.00 0.00 N ATOM 1278 CZ ARG A 83 -3.305 -0.326 14.021 1.00 0.00 C ATOM 1279 NH1 ARG A 83 -3.312 0.472 15.080 1.00 0.00 N ATOM 1280 NH2 ARG A 83 -4.233 -1.266 13.899 1.00 0.00 N ATOM 0 H ARG A 83 2.290 0.768 12.968 1.00 0.00 H new ATOM 0 HA ARG A 83 1.770 1.334 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.490 2.537 12.637 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.156 2.521 11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.802 0.292 11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.423 -0.121 12.308 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.812 0.765 14.105 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.760 1.816 13.072 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.396 -0.815 12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.601 1.196 15.177 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.029 0.361 15.797 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.231 -1.882 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.948 -1.373 14.618 1.00 0.00 H new ATOM 1294 N LEU A 84 3.207 3.343 9.965 1.00 0.00 N ATOM 1295 CA LEU A 84 3.944 4.587 9.772 1.00 0.00 C ATOM 1296 C LEU A 84 3.017 5.699 9.290 1.00 0.00 C ATOM 1297 O LEU A 84 2.958 6.775 9.886 1.00 0.00 O ATOM 1298 CB LEU A 84 5.078 4.382 8.767 1.00 0.00 C ATOM 1299 CG LEU A 84 6.076 3.272 9.099 1.00 0.00 C ATOM 1300 CD1 LEU A 84 7.029 3.044 7.936 1.00 0.00 C ATOM 1301 CD2 LEU A 84 6.849 3.612 10.365 1.00 0.00 C ATOM 0 H LEU A 84 3.229 2.712 9.164 1.00 0.00 H new ATOM 0 HA LEU A 84 4.368 4.882 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.639 4.169 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.626 5.319 8.672 1.00 0.00 H new ATOM 0 HG LEU A 84 5.520 2.350 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.731 2.251 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.461 2.755 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.578 3.963 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.555 2.811 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.393 4.545 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.154 3.723 11.197 1.00 0.00 H new ATOM 1313 N LEU A 85 2.294 5.432 8.208 1.00 0.00 N ATOM 1314 CA LEU A 85 1.368 6.409 7.646 1.00 0.00 C ATOM 1315 C LEU A 85 0.023 6.359 8.364 1.00 0.00 C ATOM 1316 O LEU A 85 -0.409 5.301 8.819 1.00 0.00 O ATOM 1317 CB LEU A 85 1.171 6.153 6.151 1.00 0.00 C ATOM 1318 CG LEU A 85 0.811 7.373 5.303 1.00 0.00 C ATOM 1319 CD1 LEU A 85 1.950 8.382 5.309 1.00 0.00 C ATOM 1320 CD2 LEU A 85 0.477 6.953 3.879 1.00 0.00 C ATOM 0 H LEU A 85 2.331 4.547 7.702 1.00 0.00 H new ATOM 0 HA LEU A 85 1.797 7.402 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.088 5.717 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.385 5.407 6.031 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.070 7.846 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.676 9.244 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.143 8.707 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.848 7.919 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.223 7.834 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.339 6.455 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.371 6.268 3.891 1.00 0.00 H new ATOM 1332 N GLU A 86 -0.634 7.511 8.459 1.00 0.00 N ATOM 1333 CA GLU A 86 -1.931 7.597 9.120 1.00 0.00 C ATOM 1334 C GLU A 86 -3.045 7.834 8.104 1.00 0.00 C ATOM 1335 O GLU A 86 -2.851 8.472 7.069 1.00 0.00 O ATOM 1336 CB GLU A 86 -1.925 8.722 10.158 1.00 0.00 C ATOM 1337 CG GLU A 86 -1.118 8.396 11.403 1.00 0.00 C ATOM 1338 CD GLU A 86 -1.812 7.391 12.302 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -2.884 7.726 12.848 1.00 0.00 O ATOM 1340 OE2 GLU A 86 -1.283 6.271 12.460 1.00 0.00 O ATOM 0 H GLU A 86 -0.290 8.396 8.087 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.118 6.648 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.522 9.625 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.952 8.943 10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.145 8.003 11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.935 9.313 11.963 1.00 0.00 H new ATOM 1347 N PRO A 87 -4.241 7.308 8.405 1.00 0.00 N ATOM 1348 CA PRO A 87 -5.410 7.448 7.532 1.00 0.00 C ATOM 1349 C PRO A 87 -5.939 8.878 7.496 1.00 0.00 C ATOM 1350 O PRO A 87 -6.218 9.420 6.427 1.00 0.00 O ATOM 1351 CB PRO A 87 -6.442 6.512 8.167 1.00 0.00 C ATOM 1352 CG PRO A 87 -6.045 6.427 9.600 1.00 0.00 C ATOM 1353 CD PRO A 87 -4.545 6.535 9.621 1.00 0.00 C ATOM 0 HA PRO A 87 -5.175 7.206 6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.453 6.905 8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.430 5.530 7.694 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.502 7.229 10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.375 5.486 10.041 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.191 7.042 10.518 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -4.071 5.554 9.602 1.00 0.00 H new ATOM 1361 N SER A 88 -6.075 9.483 8.672 1.00 0.00 N ATOM 1362 CA SER A 88 -6.574 10.849 8.775 1.00 0.00 C ATOM 1363 C SER A 88 -5.618 11.829 8.101 1.00 0.00 C ATOM 1364 O SER A 88 -5.990 12.526 7.157 1.00 0.00 O ATOM 1365 CB SER A 88 -6.766 11.235 10.243 1.00 0.00 C ATOM 1366 OG SER A 88 -6.934 12.635 10.385 1.00 0.00 O ATOM 0 H SER A 88 -5.847 9.049 9.566 1.00 0.00 H new ATOM 0 HA SER A 88 -7.536 10.897 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.637 10.718 10.647 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.903 10.908 10.824 1.00 0.00 H new ATOM 0 HG SER A 88 -7.056 12.855 11.332 1.00 0.00 H new ATOM 1372 N ASP A 89 -4.385 11.876 8.593 1.00 0.00 N ATOM 1373 CA ASP A 89 -3.374 12.769 8.039 1.00 0.00 C ATOM 1374 C ASP A 89 -3.550 12.919 6.531 1.00 0.00 C ATOM 1375 O ASP A 89 -3.521 14.029 6.001 1.00 0.00 O ATOM 1376 CB ASP A 89 -1.972 12.243 8.352 1.00 0.00 C ATOM 1377 CG ASP A 89 -1.449 11.313 7.275 1.00 0.00 C ATOM 1378 OD1 ASP A 89 -1.293 11.768 6.123 1.00 0.00 O ATOM 1379 OD2 ASP A 89 -1.195 10.131 7.586 1.00 0.00 O ATOM 0 H ASP A 89 -4.061 11.306 9.375 1.00 0.00 H new ATOM 0 HA ASP A 89 -3.497 13.749 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.288 13.084 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.989 11.716 9.306 1.00 0.00 H new ATOM 1384 N MET A 90 -3.730 11.794 5.847 1.00 0.00 N ATOM 1385 CA MET A 90 -3.910 11.801 4.399 1.00 0.00 C ATOM 1386 C MET A 90 -5.007 12.781 3.993 1.00 0.00 C ATOM 1387 O MET A 90 -4.836 13.567 3.061 1.00 0.00 O ATOM 1388 CB MET A 90 -4.255 10.397 3.900 1.00 0.00 C ATOM 1389 CG MET A 90 -3.136 9.388 4.106 1.00 0.00 C ATOM 1390 SD MET A 90 -1.982 9.338 2.721 1.00 0.00 S ATOM 1391 CE MET A 90 -2.319 7.708 2.058 1.00 0.00 C ATOM 0 H MET A 90 -3.755 10.867 6.271 1.00 0.00 H new ATOM 0 HA MET A 90 -2.973 12.121 3.943 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.149 10.046 4.415 1.00 0.00 H new ATOM 0 HB3 MET A 90 -4.498 10.447 2.839 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.593 9.635 5.018 1.00 0.00 H new ATOM 0 HG3 MET A 90 -3.567 8.397 4.250 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.733 7.555 1.152 1.00 0.00 H new ATOM 0 HE2 MET A 90 -2.050 6.952 2.796 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.380 7.623 1.822 1.00 0.00 H new ATOM 1401 N VAL A 91 -6.133 12.728 4.697 1.00 0.00 N ATOM 1402 CA VAL A 91 -7.257 13.611 4.410 1.00 0.00 C ATOM 1403 C VAL A 91 -6.915 15.060 4.740 1.00 0.00 C ATOM 1404 O VAL A 91 -7.174 15.966 3.948 1.00 0.00 O ATOM 1405 CB VAL A 91 -8.512 13.197 5.200 1.00 0.00 C ATOM 1406 CG1 VAL A 91 -9.713 14.025 4.767 1.00 0.00 C ATOM 1407 CG2 VAL A 91 -8.787 11.712 5.024 1.00 0.00 C ATOM 0 H VAL A 91 -6.291 12.082 5.471 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.464 13.524 3.343 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.332 13.387 6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.591 13.718 5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.512 15.081 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.898 13.870 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.678 11.437 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.946 11.494 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.935 11.138 5.388 1.00 0.00 H new ATOM 1417 N LEU A 92 -6.334 15.271 5.916 1.00 0.00 N ATOM 1418 CA LEU A 92 -5.956 16.611 6.352 1.00 0.00 C ATOM 1419 C LEU A 92 -5.201 17.349 5.252 1.00 0.00 C ATOM 1420 O LEU A 92 -5.670 18.365 4.737 1.00 0.00 O ATOM 1421 CB LEU A 92 -5.094 16.533 7.614 1.00 0.00 C ATOM 1422 CG LEU A 92 -5.705 15.784 8.799 1.00 0.00 C ATOM 1423 CD1 LEU A 92 -4.717 15.715 9.953 1.00 0.00 C ATOM 1424 CD2 LEU A 92 -6.999 16.451 9.242 1.00 0.00 C ATOM 0 H LEU A 92 -6.115 14.532 6.584 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.868 17.165 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.149 16.055 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.860 17.549 7.933 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.934 14.767 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.169 15.179 10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.817 15.192 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.456 16.725 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.420 15.904 10.086 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.795 17.479 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.711 16.448 8.417 1.00 0.00 H new ATOM 1436 N LEU A 93 -4.031 16.832 4.894 1.00 0.00 N ATOM 1437 CA LEU A 93 -3.211 17.441 3.853 1.00 0.00 C ATOM 1438 C LEU A 93 -3.723 17.063 2.466 1.00 0.00 C ATOM 1439 O LEU A 93 -4.644 16.258 2.332 1.00 0.00 O ATOM 1440 CB LEU A 93 -1.752 17.008 4.006 1.00 0.00 C ATOM 1441 CG LEU A 93 -1.481 15.508 3.889 1.00 0.00 C ATOM 1442 CD1 LEU A 93 -1.386 15.095 2.429 1.00 0.00 C ATOM 1443 CD2 LEU A 93 -0.207 15.137 4.634 1.00 0.00 C ATOM 0 H LEU A 93 -3.629 15.992 5.310 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.275 18.524 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.160 17.524 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.393 17.347 4.978 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.314 14.971 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.193 14.024 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.324 15.325 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.573 15.639 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.030 14.066 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.635 15.683 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.313 15.396 5.687 1.00 0.00 H new ATOM 1455 N ALA A 94 -3.117 17.647 1.438 1.00 0.00 N ATOM 1456 CA ALA A 94 -3.508 17.368 0.062 1.00 0.00 C ATOM 1457 C ALA A 94 -2.744 16.171 -0.494 1.00 0.00 C ATOM 1458 O ALA A 94 -3.336 15.143 -0.822 1.00 0.00 O ATOM 1459 CB ALA A 94 -3.281 18.593 -0.811 1.00 0.00 C ATOM 0 H ALA A 94 -2.353 18.316 1.532 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.570 17.123 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.578 18.369 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.877 19.424 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.226 18.864 -0.790 1.00 0.00 H new ATOM 1465 N ILE A 95 -1.427 16.313 -0.598 1.00 0.00 N ATOM 1466 CA ILE A 95 -0.582 15.243 -1.114 1.00 0.00 C ATOM 1467 C ILE A 95 0.358 14.716 -0.035 1.00 0.00 C ATOM 1468 O ILE A 95 1.068 15.472 0.627 1.00 0.00 O ATOM 1469 CB ILE A 95 0.251 15.715 -2.320 1.00 0.00 C ATOM 1470 CG1 ILE A 95 -0.659 16.320 -3.391 1.00 0.00 C ATOM 1471 CG2 ILE A 95 1.057 14.559 -2.893 1.00 0.00 C ATOM 1472 CD1 ILE A 95 -1.745 15.379 -3.862 1.00 0.00 C ATOM 0 H ILE A 95 -0.922 17.158 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.248 14.442 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 95 0.946 16.484 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.120 17.225 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.052 16.619 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.640 14.909 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.729 14.170 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.380 13.769 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.352 15.874 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.291 14.484 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.376 15.100 -3.018 1.00 0.00 H new ATOM 1484 N PRO A 96 0.366 13.387 0.145 1.00 0.00 N ATOM 1485 CA PRO A 96 1.217 12.728 1.140 1.00 0.00 C ATOM 1486 C PRO A 96 2.695 12.785 0.769 1.00 0.00 C ATOM 1487 O PRO A 96 3.046 12.851 -0.409 1.00 0.00 O ATOM 1488 CB PRO A 96 0.718 11.281 1.131 1.00 0.00 C ATOM 1489 CG PRO A 96 0.127 11.093 -0.223 1.00 0.00 C ATOM 1490 CD PRO A 96 -0.454 12.425 -0.610 1.00 0.00 C ATOM 0 HA PRO A 96 1.151 13.210 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.534 10.580 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.022 11.113 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.885 10.775 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.642 10.321 -0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.387 12.596 -1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.508 12.497 -0.341 1.00 0.00 H new ATOM 1498 N ASP A 97 3.555 12.758 1.780 1.00 0.00 N ATOM 1499 CA ASP A 97 4.996 12.805 1.559 1.00 0.00 C ATOM 1500 C ASP A 97 5.490 11.512 0.916 1.00 0.00 C ATOM 1501 O ASP A 97 5.682 10.503 1.594 1.00 0.00 O ATOM 1502 CB ASP A 97 5.729 13.044 2.881 1.00 0.00 C ATOM 1503 CG ASP A 97 5.641 14.486 3.338 1.00 0.00 C ATOM 1504 OD1 ASP A 97 4.540 14.916 3.739 1.00 0.00 O ATOM 1505 OD2 ASP A 97 6.675 15.187 3.295 1.00 0.00 O ATOM 0 H ASP A 97 3.280 12.704 2.761 1.00 0.00 H new ATOM 0 HA ASP A 97 5.208 13.631 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.307 12.396 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.777 12.765 2.768 1.00 0.00 H new ATOM 1510 N LYS A 98 5.693 11.551 -0.396 1.00 0.00 N ATOM 1511 CA LYS A 98 6.164 10.384 -1.132 1.00 0.00 C ATOM 1512 C LYS A 98 7.215 9.623 -0.330 1.00 0.00 C ATOM 1513 O LYS A 98 7.146 8.399 -0.201 1.00 0.00 O ATOM 1514 CB LYS A 98 6.746 10.808 -2.483 1.00 0.00 C ATOM 1515 CG LYS A 98 6.828 9.675 -3.492 1.00 0.00 C ATOM 1516 CD LYS A 98 7.650 10.070 -4.707 1.00 0.00 C ATOM 1517 CE LYS A 98 9.140 10.064 -4.398 1.00 0.00 C ATOM 1518 NZ LYS A 98 9.936 10.682 -5.495 1.00 0.00 N ATOM 0 H LYS A 98 5.539 12.379 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 98 5.313 9.724 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.134 11.609 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.744 11.217 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.272 8.798 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.823 9.393 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.444 9.381 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.351 11.063 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.321 10.605 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.474 9.039 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.946 10.659 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.784 10.151 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.635 11.668 -5.629 1.00 0.00 H new ATOM 1532 N LEU A 99 8.186 10.353 0.207 1.00 0.00 N ATOM 1533 CA LEU A 99 9.251 9.747 0.998 1.00 0.00 C ATOM 1534 C LEU A 99 8.675 8.846 2.087 1.00 0.00 C ATOM 1535 O LEU A 99 9.071 7.688 2.224 1.00 0.00 O ATOM 1536 CB LEU A 99 10.126 10.831 1.628 1.00 0.00 C ATOM 1537 CG LEU A 99 10.782 11.812 0.655 1.00 0.00 C ATOM 1538 CD1 LEU A 99 11.489 12.925 1.415 1.00 0.00 C ATOM 1539 CD2 LEU A 99 11.758 11.085 -0.258 1.00 0.00 C ATOM 0 H LEU A 99 8.258 11.366 0.109 1.00 0.00 H new ATOM 0 HA LEU A 99 9.862 9.137 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.516 11.399 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.911 10.345 2.208 1.00 0.00 H new ATOM 0 HG LEU A 99 10.002 12.259 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.950 13.613 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.766 13.464 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.258 12.496 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.215 11.798 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.534 10.611 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.225 10.324 -0.828 1.00 0.00 H new ATOM 1551 N THR A 100 7.737 9.385 2.859 1.00 0.00 N ATOM 1552 CA THR A 100 7.106 8.631 3.935 1.00 0.00 C ATOM 1553 C THR A 100 6.430 7.374 3.401 1.00 0.00 C ATOM 1554 O THR A 100 6.910 6.260 3.614 1.00 0.00 O ATOM 1555 CB THR A 100 6.062 9.484 4.681 1.00 0.00 C ATOM 1556 OG1 THR A 100 6.647 10.726 5.091 1.00 0.00 O ATOM 1557 CG2 THR A 100 5.529 8.743 5.898 1.00 0.00 C ATOM 0 H THR A 100 7.397 10.342 2.759 1.00 0.00 H new ATOM 0 HA THR A 100 7.897 8.348 4.630 1.00 0.00 H new ATOM 0 HB THR A 100 5.232 9.680 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.977 11.263 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.794 9.364 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.060 7.812 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.352 8.521 6.578 1.00 0.00 H new ATOM 1565 N VAL A 101 5.312 7.558 2.706 1.00 0.00 N ATOM 1566 CA VAL A 101 4.570 6.437 2.140 1.00 0.00 C ATOM 1567 C VAL A 101 5.514 5.351 1.638 1.00 0.00 C ATOM 1568 O VAL A 101 5.451 4.205 2.083 1.00 0.00 O ATOM 1569 CB VAL A 101 3.665 6.892 0.980 1.00 0.00 C ATOM 1570 CG1 VAL A 101 2.977 5.696 0.339 1.00 0.00 C ATOM 1571 CG2 VAL A 101 2.642 7.907 1.469 1.00 0.00 C ATOM 0 H VAL A 101 4.900 8.473 2.521 1.00 0.00 H new ATOM 0 HA VAL A 101 3.948 6.033 2.939 1.00 0.00 H new ATOM 0 HB VAL A 101 4.286 7.372 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.342 6.037 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.729 5.008 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.367 5.185 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.011 8.218 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.023 7.455 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.158 8.776 1.877 1.00 0.00 H new ATOM 1581 N MET A 102 6.390 5.719 0.708 1.00 0.00 N ATOM 1582 CA MET A 102 7.349 4.775 0.146 1.00 0.00 C ATOM 1583 C MET A 102 8.019 3.960 1.248 1.00 0.00 C ATOM 1584 O MET A 102 8.090 2.733 1.170 1.00 0.00 O ATOM 1585 CB MET A 102 8.409 5.518 -0.670 1.00 0.00 C ATOM 1586 CG MET A 102 7.938 5.913 -2.060 1.00 0.00 C ATOM 1587 SD MET A 102 9.299 6.385 -3.146 1.00 0.00 S ATOM 1588 CE MET A 102 9.753 4.793 -3.830 1.00 0.00 C ATOM 0 H MET A 102 6.455 6.663 0.328 1.00 0.00 H new ATOM 0 HA MET A 102 6.808 4.092 -0.509 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.710 6.415 -0.129 1.00 0.00 H new ATOM 0 HB3 MET A 102 9.294 4.888 -0.760 1.00 0.00 H new ATOM 0 HG2 MET A 102 7.395 5.080 -2.506 1.00 0.00 H new ATOM 0 HG3 MET A 102 7.237 6.744 -1.980 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.313 4.940 -4.754 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.371 4.252 -3.113 1.00 0.00 H new ATOM 0 HE3 MET A 102 8.852 4.217 -4.040 1.00 0.00 H new ATOM 1598 N THR A 103 8.508 4.649 2.274 1.00 0.00 N ATOM 1599 CA THR A 103 9.173 3.989 3.391 1.00 0.00 C ATOM 1600 C THR A 103 8.286 2.907 3.996 1.00 0.00 C ATOM 1601 O THR A 103 8.777 1.880 4.466 1.00 0.00 O ATOM 1602 CB THR A 103 9.559 4.996 4.490 1.00 0.00 C ATOM 1603 OG1 THR A 103 10.510 5.937 3.981 1.00 0.00 O ATOM 1604 CG2 THR A 103 10.143 4.280 5.699 1.00 0.00 C ATOM 0 H THR A 103 8.456 5.664 2.355 1.00 0.00 H new ATOM 0 HA THR A 103 10.080 3.532 2.994 1.00 0.00 H new ATOM 0 HB THR A 103 8.657 5.524 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.064 6.549 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.408 5.012 6.462 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.405 3.586 6.102 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.034 3.729 5.400 1.00 0.00 H new ATOM 1612 N TYR A 104 6.980 3.143 3.982 1.00 0.00 N ATOM 1613 CA TYR A 104 6.024 2.189 4.532 1.00 0.00 C ATOM 1614 C TYR A 104 5.818 1.015 3.581 1.00 0.00 C ATOM 1615 O TYR A 104 5.795 -0.143 4.000 1.00 0.00 O ATOM 1616 CB TYR A 104 4.686 2.877 4.809 1.00 0.00 C ATOM 1617 CG TYR A 104 3.671 1.979 5.480 1.00 0.00 C ATOM 1618 CD1 TYR A 104 3.992 1.275 6.634 1.00 0.00 C ATOM 1619 CD2 TYR A 104 2.390 1.836 4.960 1.00 0.00 C ATOM 1620 CE1 TYR A 104 3.068 0.453 7.249 1.00 0.00 C ATOM 1621 CE2 TYR A 104 1.459 1.018 5.570 1.00 0.00 C ATOM 1622 CZ TYR A 104 1.803 0.328 6.714 1.00 0.00 C ATOM 1623 OH TYR A 104 0.879 -0.489 7.324 1.00 0.00 O ATOM 0 H TYR A 104 6.558 3.987 3.596 1.00 0.00 H new ATOM 0 HA TYR A 104 6.429 1.807 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.859 3.750 5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 104 4.272 3.240 3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.981 1.372 7.057 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.118 2.374 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 104 3.335 -0.089 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.467 0.919 5.154 1.00 0.00 H new ATOM 0 HH TYR A 104 0.038 -0.464 6.821 1.00 0.00 H new ATOM 1633 N LEU A 105 5.668 1.322 2.297 1.00 0.00 N ATOM 1634 CA LEU A 105 5.464 0.293 1.283 1.00 0.00 C ATOM 1635 C LEU A 105 6.563 -0.762 1.349 1.00 0.00 C ATOM 1636 O LEU A 105 6.285 -1.960 1.410 1.00 0.00 O ATOM 1637 CB LEU A 105 5.428 0.923 -0.111 1.00 0.00 C ATOM 1638 CG LEU A 105 4.078 1.480 -0.561 1.00 0.00 C ATOM 1639 CD1 LEU A 105 4.251 2.388 -1.769 1.00 0.00 C ATOM 1640 CD2 LEU A 105 3.112 0.347 -0.878 1.00 0.00 C ATOM 0 H LEU A 105 5.684 2.275 1.933 1.00 0.00 H new ATOM 0 HA LEU A 105 4.508 -0.192 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.160 1.730 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.749 0.174 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 105 3.660 2.070 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.279 2.775 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.907 3.219 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.691 1.822 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.156 0.762 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.524 -0.270 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.963 -0.264 0.012 1.00 0.00 H new ATOM 1652 N TYR A 106 7.812 -0.310 1.339 1.00 0.00 N ATOM 1653 CA TYR A 106 8.953 -1.215 1.398 1.00 0.00 C ATOM 1654 C TYR A 106 8.766 -2.257 2.496 1.00 0.00 C ATOM 1655 O TYR A 106 9.151 -3.415 2.338 1.00 0.00 O ATOM 1656 CB TYR A 106 10.243 -0.428 1.640 1.00 0.00 C ATOM 1657 CG TYR A 106 10.751 0.293 0.412 1.00 0.00 C ATOM 1658 CD1 TYR A 106 11.006 -0.395 -0.767 1.00 0.00 C ATOM 1659 CD2 TYR A 106 10.977 1.664 0.431 1.00 0.00 C ATOM 1660 CE1 TYR A 106 11.471 0.259 -1.891 1.00 0.00 C ATOM 1661 CE2 TYR A 106 11.441 2.328 -0.688 1.00 0.00 C ATOM 1662 CZ TYR A 106 11.687 1.621 -1.846 1.00 0.00 C ATOM 1663 OH TYR A 106 12.150 2.277 -2.964 1.00 0.00 O ATOM 0 H TYR A 106 8.060 0.678 1.291 1.00 0.00 H new ATOM 0 HA TYR A 106 9.024 -1.732 0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 106 10.072 0.299 2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.014 -1.111 1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 106 10.838 -1.461 -0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 106 10.786 2.220 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 106 11.664 -0.292 -2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.610 3.394 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 106 11.836 1.814 -3.769 1.00 0.00 H new ATOM 1673 N GLN A 107 8.173 -1.835 3.608 1.00 0.00 N ATOM 1674 CA GLN A 107 7.935 -2.732 4.733 1.00 0.00 C ATOM 1675 C GLN A 107 7.010 -3.876 4.331 1.00 0.00 C ATOM 1676 O GLN A 107 7.393 -5.045 4.386 1.00 0.00 O ATOM 1677 CB GLN A 107 7.331 -1.960 5.908 1.00 0.00 C ATOM 1678 CG GLN A 107 8.145 -0.744 6.320 1.00 0.00 C ATOM 1679 CD GLN A 107 9.323 -1.103 7.204 1.00 0.00 C ATOM 1680 OE1 GLN A 107 9.238 -2.007 8.035 1.00 0.00 O ATOM 1681 NE2 GLN A 107 10.433 -0.395 7.027 1.00 0.00 N ATOM 0 H GLN A 107 7.849 -0.879 3.754 1.00 0.00 H new ATOM 0 HA GLN A 107 8.892 -3.154 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.324 -1.639 5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.237 -2.630 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.508 -0.235 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.500 -0.042 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.459 0.346 6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.259 -0.592 7.592 1.00 0.00 H new ATOM 1690 N ILE A 108 5.792 -3.531 3.928 1.00 0.00 N ATOM 1691 CA ILE A 108 4.813 -4.530 3.516 1.00 0.00 C ATOM 1692 C ILE A 108 5.382 -5.447 2.439 1.00 0.00 C ATOM 1693 O ILE A 108 5.430 -6.665 2.608 1.00 0.00 O ATOM 1694 CB ILE A 108 3.526 -3.871 2.985 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.903 -2.978 4.060 1.00 0.00 C ATOM 1696 CG2 ILE A 108 2.535 -4.933 2.533 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.475 -1.578 4.088 1.00 0.00 C ATOM 0 H ILE A 108 5.459 -2.568 3.878 1.00 0.00 H new ATOM 0 HA ILE A 108 4.572 -5.119 4.401 1.00 0.00 H new ATOM 0 HB ILE A 108 3.781 -3.250 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.827 -2.919 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.050 -3.441 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.631 -4.452 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.981 -5.532 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.283 -5.577 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.987 -1.001 4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.546 -1.626 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.305 -1.096 3.125 1.00 0.00 H new ATOM 1709 N ARG A 109 5.816 -4.852 1.332 1.00 0.00 N ATOM 1710 CA ARG A 109 6.383 -5.615 0.227 1.00 0.00 C ATOM 1711 C ARG A 109 7.515 -6.516 0.713 1.00 0.00 C ATOM 1712 O ARG A 109 7.702 -7.622 0.207 1.00 0.00 O ATOM 1713 CB ARG A 109 6.900 -4.672 -0.860 1.00 0.00 C ATOM 1714 CG ARG A 109 7.864 -5.332 -1.832 1.00 0.00 C ATOM 1715 CD ARG A 109 9.304 -5.211 -1.357 1.00 0.00 C ATOM 1716 NE ARG A 109 10.255 -5.315 -2.461 1.00 0.00 N ATOM 1717 CZ ARG A 109 11.559 -5.500 -2.292 1.00 0.00 C ATOM 1718 NH1 ARG A 109 12.065 -5.601 -1.071 1.00 0.00 N ATOM 1719 NH2 ARG A 109 12.360 -5.584 -3.347 1.00 0.00 N ATOM 0 H ARG A 109 5.786 -3.844 1.177 1.00 0.00 H new ATOM 0 HA ARG A 109 5.595 -6.242 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.052 -4.274 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.397 -3.825 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.604 -6.385 -1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.764 -4.871 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.440 -4.255 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.511 -5.992 -0.625 1.00 0.00 H new ATOM 0 HE ARG A 109 9.898 -5.241 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.452 -5.537 -0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 109 13.067 -5.743 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.974 -5.506 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 109 13.362 -5.726 -3.217 1.00 0.00 H new ATOM 1733 N ALA A 110 8.266 -6.035 1.698 1.00 0.00 N ATOM 1734 CA ALA A 110 9.378 -6.797 2.253 1.00 0.00 C ATOM 1735 C ALA A 110 8.879 -8.022 3.011 1.00 0.00 C ATOM 1736 O ALA A 110 9.273 -9.151 2.715 1.00 0.00 O ATOM 1737 CB ALA A 110 10.218 -5.915 3.166 1.00 0.00 C ATOM 0 H ALA A 110 8.125 -5.121 2.128 1.00 0.00 H new ATOM 0 HA ALA A 110 9.999 -7.142 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.045 -6.497 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.612 -5.073 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.599 -5.543 3.982 1.00 0.00 H new ATOM 1743 N HIS A 111 8.010 -7.793 3.991 1.00 0.00 N ATOM 1744 CA HIS A 111 7.458 -8.880 4.792 1.00 0.00 C ATOM 1745 C HIS A 111 6.767 -9.911 3.906 1.00 0.00 C ATOM 1746 O HIS A 111 7.049 -11.107 3.991 1.00 0.00 O ATOM 1747 CB HIS A 111 6.469 -8.331 5.821 1.00 0.00 C ATOM 1748 CG HIS A 111 6.995 -7.160 6.592 1.00 0.00 C ATOM 1749 ND1 HIS A 111 6.547 -5.886 6.682 1.00 0.00 N flip ATOM 1750 CD2 HIS A 111 8.117 -7.227 7.391 1.00 0.00 C flip ATOM 1751 CE1 HIS A 111 7.397 -5.214 7.526 1.00 0.00 C flip ATOM 1752 NE2 HIS A 111 8.335 -6.045 7.940 1.00 0.00 N flip ATOM 0 H HIS A 111 7.673 -6.865 4.249 1.00 0.00 H new ATOM 0 HA HIS A 111 8.281 -9.368 5.314 1.00 0.00 H new ATOM 0 HB2 HIS A 111 5.552 -8.037 5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 111 6.205 -9.126 6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 111 8.723 -8.108 7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 111 7.312 -4.174 7.806 1.00 0.00 H new ATOM 0 HE2 HIS A 111 9.098 -5.814 8.576 1.00 0.00 H new ATOM 1761 N PHE A 112 5.860 -9.442 3.055 1.00 0.00 N ATOM 1762 CA PHE A 112 5.128 -10.324 2.154 1.00 0.00 C ATOM 1763 C PHE A 112 6.078 -11.021 1.184 1.00 0.00 C ATOM 1764 O PHE A 112 5.944 -12.215 0.918 1.00 0.00 O ATOM 1765 CB PHE A 112 4.076 -9.532 1.374 1.00 0.00 C ATOM 1766 CG PHE A 112 2.853 -9.204 2.182 1.00 0.00 C ATOM 1767 CD1 PHE A 112 2.950 -8.430 3.327 1.00 0.00 C ATOM 1768 CD2 PHE A 112 1.606 -9.667 1.795 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.826 -8.127 4.073 1.00 0.00 C ATOM 1770 CE2 PHE A 112 0.478 -9.367 2.536 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.589 -8.595 3.676 1.00 0.00 C ATOM 0 H PHE A 112 5.615 -8.456 2.971 1.00 0.00 H new ATOM 0 HA PHE A 112 4.629 -11.084 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.523 -8.605 1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.779 -10.105 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.915 -8.059 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.514 -10.270 0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.915 -7.525 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.488 -9.736 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.291 -8.358 4.256 1.00 0.00 H new ATOM 1781 N SER A 113 7.038 -10.266 0.660 1.00 0.00 N ATOM 1782 CA SER A 113 8.008 -10.809 -0.284 1.00 0.00 C ATOM 1783 C SER A 113 9.409 -10.283 0.015 1.00 0.00 C ATOM 1784 O SER A 113 9.589 -9.105 0.324 1.00 0.00 O ATOM 1785 CB SER A 113 7.612 -10.452 -1.718 1.00 0.00 C ATOM 1786 OG SER A 113 8.410 -11.151 -2.657 1.00 0.00 O ATOM 0 H SER A 113 7.165 -9.277 0.873 1.00 0.00 H new ATOM 0 HA SER A 113 8.015 -11.894 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.561 -10.693 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.720 -9.378 -1.872 1.00 0.00 H new ATOM 0 HG SER A 113 8.136 -10.907 -3.566 1.00 0.00 H new ATOM 1792 N SER A 114 10.398 -11.166 -0.081 1.00 0.00 N ATOM 1793 CA SER A 114 11.783 -10.793 0.183 1.00 0.00 C ATOM 1794 C SER A 114 12.525 -10.504 -1.119 1.00 0.00 C ATOM 1795 O SER A 114 12.004 -10.740 -2.209 1.00 0.00 O ATOM 1796 CB SER A 114 12.495 -11.907 0.952 1.00 0.00 C ATOM 1797 OG SER A 114 13.690 -11.431 1.548 1.00 0.00 O ATOM 0 H SER A 114 10.266 -12.144 -0.339 1.00 0.00 H new ATOM 0 HA SER A 114 11.781 -9.887 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.833 -12.302 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 114 12.725 -12.731 0.276 1.00 0.00 H new ATOM 0 HG SER A 114 14.126 -12.161 2.035 1.00 0.00 H new ATOM 1803 N GLY A 115 13.745 -9.991 -0.996 1.00 0.00 N ATOM 1804 CA GLY A 115 14.540 -9.678 -2.170 1.00 0.00 C ATOM 1805 C GLY A 115 15.289 -10.884 -2.701 1.00 0.00 C ATOM 1806 O GLY A 115 14.705 -11.798 -3.283 1.00 0.00 O ATOM 0 H GLY A 115 14.197 -9.786 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 115 13.889 -9.285 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 115 15.253 -8.891 -1.923 1.00 0.00 H new ATOM 1810 N PRO A 116 16.616 -10.895 -2.503 1.00 0.00 N ATOM 1811 CA PRO A 116 17.475 -11.991 -2.960 1.00 0.00 C ATOM 1812 C PRO A 116 17.247 -13.275 -2.169 1.00 0.00 C ATOM 1813 O PRO A 116 16.805 -13.238 -1.021 1.00 0.00 O ATOM 1814 CB PRO A 116 18.889 -11.458 -2.718 1.00 0.00 C ATOM 1815 CG PRO A 116 18.735 -10.459 -1.624 1.00 0.00 C ATOM 1816 CD PRO A 116 17.379 -9.839 -1.817 1.00 0.00 C ATOM 0 HA PRO A 116 17.277 -12.258 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 116 19.570 -12.259 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 116 19.299 -11.000 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 116 18.811 -10.936 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 116 19.520 -9.704 -1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 116 16.922 -9.567 -0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 116 17.434 -8.930 -2.416 1.00 0.00 H new ATOM 1824 N SER A 117 17.552 -14.410 -2.791 1.00 0.00 N ATOM 1825 CA SER A 117 17.377 -15.706 -2.146 1.00 0.00 C ATOM 1826 C SER A 117 18.468 -15.948 -1.108 1.00 0.00 C ATOM 1827 O SER A 117 19.480 -16.589 -1.392 1.00 0.00 O ATOM 1828 CB SER A 117 17.392 -16.825 -3.189 1.00 0.00 C ATOM 1829 OG SER A 117 18.609 -16.828 -3.915 1.00 0.00 O ATOM 0 H SER A 117 17.921 -14.458 -3.741 1.00 0.00 H new ATOM 0 HA SER A 117 16.412 -15.704 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.256 -17.788 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 117 16.555 -16.698 -3.876 1.00 0.00 H new ATOM 0 HG SER A 117 19.361 -16.743 -3.293 1.00 0.00 H new ATOM 1835 N SER A 118 18.255 -15.429 0.098 1.00 0.00 N ATOM 1836 CA SER A 118 19.222 -15.585 1.178 1.00 0.00 C ATOM 1837 C SER A 118 19.110 -16.968 1.812 1.00 0.00 C ATOM 1838 O SER A 118 19.050 -17.100 3.034 1.00 0.00 O ATOM 1839 CB SER A 118 19.009 -14.505 2.241 1.00 0.00 C ATOM 1840 OG SER A 118 17.785 -14.701 2.929 1.00 0.00 O ATOM 0 H SER A 118 17.422 -14.897 0.351 1.00 0.00 H new ATOM 0 HA SER A 118 20.221 -15.478 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 118 19.836 -14.521 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 118 19.012 -13.522 1.771 1.00 0.00 H new ATOM 0 HG SER A 118 17.793 -15.578 3.367 1.00 0.00 H new ATOM 1846 N GLY A 119 19.083 -17.997 0.971 1.00 0.00 N ATOM 1847 CA GLY A 119 18.979 -19.357 1.467 1.00 0.00 C ATOM 1848 C GLY A 119 20.333 -19.986 1.725 1.00 0.00 C ATOM 1849 O GLY A 119 20.539 -21.168 1.449 1.00 0.00 O ATOM 0 H GLY A 119 19.131 -17.913 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 119 18.399 -19.360 2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 119 18.432 -19.963 0.744 1.00 0.00 H new TER 1853 GLY A 119