USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1051 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 63 MET CE :methyl -148:sc= -4.52! (180deg=-4.2!) USER MOD Set 1.2: A 151 THR OG1 : rot -85:sc= -1.27 USER MOD Set 2.1: A 132 HIS : no HE2:sc= -1.54 K(o=-0.4,f=-3.8!) USER MOD Set 2.2: A 135 THR OG1 : rot 135:sc= 1.15 USER MOD Set 3.1: A 93 MET CE :methyl -135:sc= -7.06! (180deg=-4.33!) USER MOD Set 3.2: A 110 MET CE :methyl -162:sc= -1.58 (180deg=-3.41!) USER MOD Set 4.1: A 67 HIS : no HD1:sc= 0.605 K(o=0.043,f=-6.3!) USER MOD Set 4.2: A 108 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 109 ASN : amide:sc= -1.23 K(o=0.043,f=-2.7!) USER MOD Set 4.4: A 111 THR OG1 : rot -97:sc= 0.67 USER MOD Set 5.1: A 41 GLN : amide:sc= -1.07 K(o=-0.16,f=-3.1) USER MOD Set 5.2: A 84 LYS NZ :NH3+ 179:sc= 0.916 (180deg=0) USER MOD Set 6.1: A 78 THR OG1 : rot 177:sc= 2.4 USER MOD Set 6.2: A 81 LYS NZ :NH3+ 138:sc= 1.48 (180deg=1.18) USER MOD Set 7.1: A 72 ASN : amide:sc= -3.01! C(o=-3.7!,f=-8.1!) USER MOD Set 7.2: A 114 LYS NZ :NH3+ -150:sc= -0.673 (180deg=-0.242) USER MOD Set 8.1: A 54 ASN : amide:sc= -1.27 K(o=-2.8,f=-4.8!) USER MOD Set 8.2: A 57 THR OG1 : rot 1:sc= -1.53! USER MOD Set 9.1: A 45 LYS NZ :NH3+ 157:sc= 2.44 (180deg=1.03) USER MOD Set 9.2: A 146 SER OG : rot -25:sc= 2.36 USER MOD Single : A 22 MET CE :methyl -158:sc= -0.163 (180deg=-0.713) USER MOD Single : A 26 SER OG : rot -27:sc= 0.76 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.65 K(o=1.7,f=-7.4!) USER MOD Single : A 33 GLN : amide:sc=-3.05e-05 K(o=-3e-05,f=-1) USER MOD Single : A 35 SER OG : rot -99:sc= -1.25! USER MOD Single : A 37 TYR OH : rot 104:sc= 0.652 USER MOD Single : A 48 SER OG : rot -77:sc= 0.578 USER MOD Single : A 55 GLN : amide:sc= -4.17! C(o=-4.2!,f=-4.7!) USER MOD Single : A 59 HIS :FLIP no HE2:sc= -1.35! C(o=-3.1!,f=-1.3!) USER MOD Single : A 65 SER OG : rot -2:sc= -1.11 USER MOD Single : A 68 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= 0.664 (180deg=-0.899!) USER MOD Single : A 82 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.032) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 103 LYS NZ :NH3+ -177:sc= 0.198 (180deg=0.193) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 116 THR OG1 : rot 128:sc= 1.24 USER MOD Single : A 118 GLN : amide:sc= 0.63 K(o=0.63,f=-11!) USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 178:sc= 0.833 (180deg=0.818) USER MOD Single : A 140 LYS NZ :NH3+ 147:sc= 1.23 (180deg=1.14) USER MOD Single : A 142 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.1!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -170:sc= 1.19 (180deg=0.95) USER MOD Single : A 155 THR OG1 : rot 142:sc= 0.985 USER MOD Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ -175:sc=-0.00168 (180deg=-0.0462) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 22 1.331 -19.038 4.604 1.00 0.00 N ATOM 2 CA MET A 22 0.746 -20.268 5.153 1.00 0.00 C ATOM 3 C MET A 22 -0.588 -20.020 5.854 1.00 0.00 C ATOM 4 O MET A 22 -1.489 -20.846 5.778 1.00 0.00 O ATOM 5 CB MET A 22 1.729 -21.053 6.058 1.00 0.00 C ATOM 6 CG MET A 22 2.376 -20.268 7.196 1.00 0.00 C ATOM 7 SD MET A 22 3.623 -19.073 6.639 1.00 0.00 S ATOM 8 CE MET A 22 4.863 -20.168 5.927 1.00 0.00 C ATOM 0 HA MET A 22 0.541 -20.903 4.291 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.195 -21.901 6.488 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.521 -21.460 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.599 -19.739 7.748 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.841 -20.968 7.891 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.826 -19.659 5.902 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.945 -21.069 6.535 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.569 -20.440 4.913 1.00 0.00 H new ATOM 20 N ASP A 23 -0.729 -18.886 6.508 1.00 0.00 N ATOM 21 CA ASP A 23 -1.965 -18.544 7.221 1.00 0.00 C ATOM 22 C ASP A 23 -2.814 -17.624 6.381 1.00 0.00 C ATOM 23 O ASP A 23 -3.942 -17.300 6.734 1.00 0.00 O ATOM 24 CB ASP A 23 -1.644 -17.852 8.546 1.00 0.00 C ATOM 25 CG ASP A 23 -0.949 -18.733 9.558 1.00 0.00 C ATOM 26 OD1 ASP A 23 0.243 -19.090 9.361 1.00 0.00 O ATOM 27 OD2 ASP A 23 -1.566 -19.092 10.562 1.00 0.00 O ATOM 0 H ASP A 23 -0.002 -18.173 6.567 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.509 -19.468 7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.016 -16.984 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.571 -17.480 8.982 1.00 0.00 H new ATOM 32 N CYS A 24 -2.271 -17.221 5.270 1.00 0.00 N ATOM 33 CA CYS A 24 -2.916 -16.304 4.383 1.00 0.00 C ATOM 34 C CYS A 24 -3.873 -17.033 3.435 1.00 0.00 C ATOM 35 O CYS A 24 -3.693 -18.234 3.178 1.00 0.00 O ATOM 36 CB CYS A 24 -1.861 -15.584 3.578 1.00 0.00 C ATOM 37 SG CYS A 24 -0.629 -14.689 4.567 1.00 0.00 S ATOM 0 H CYS A 24 -1.352 -17.527 4.951 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.498 -15.595 4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.345 -16.310 2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.353 -14.877 2.910 1.00 0.00 H new ATOM 42 N PRO A 25 -4.903 -16.312 2.906 1.00 0.00 N ATOM 43 CA PRO A 25 -5.889 -16.867 1.952 1.00 0.00 C ATOM 44 C PRO A 25 -5.236 -17.583 0.763 1.00 0.00 C ATOM 45 O PRO A 25 -5.555 -18.740 0.461 1.00 0.00 O ATOM 46 CB PRO A 25 -6.605 -15.615 1.456 1.00 0.00 C ATOM 47 CG PRO A 25 -6.558 -14.684 2.604 1.00 0.00 C ATOM 48 CD PRO A 25 -5.221 -14.899 3.241 1.00 0.00 C ATOM 0 HA PRO A 25 -6.528 -17.616 2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.108 -15.193 0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.632 -15.834 1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.675 -13.651 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.365 -14.888 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.472 -14.214 2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.259 -14.740 4.319 1.00 0.00 H new ATOM 56 N SER A 26 -4.322 -16.907 0.109 1.00 0.00 N ATOM 57 CA SER A 26 -3.615 -17.477 -0.992 1.00 0.00 C ATOM 58 C SER A 26 -2.117 -17.221 -0.840 1.00 0.00 C ATOM 59 O SER A 26 -1.690 -16.476 0.067 1.00 0.00 O ATOM 60 CB SER A 26 -4.173 -16.956 -2.336 1.00 0.00 C ATOM 61 OG SER A 26 -4.164 -15.541 -2.410 1.00 0.00 O ATOM 0 H SER A 26 -4.054 -15.948 0.331 1.00 0.00 H new ATOM 0 HA SER A 26 -3.764 -18.557 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.581 -17.364 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.193 -17.318 -2.468 1.00 0.00 H new ATOM 0 HG SER A 26 -4.223 -15.166 -1.507 1.00 0.00 H new ATOM 67 N SER A 27 -1.330 -17.820 -1.700 1.00 0.00 N ATOM 68 CA SER A 27 0.104 -17.697 -1.656 1.00 0.00 C ATOM 69 C SER A 27 0.597 -16.328 -2.155 1.00 0.00 C ATOM 70 O SER A 27 1.761 -15.976 -1.974 1.00 0.00 O ATOM 71 CB SER A 27 0.717 -18.847 -2.442 1.00 0.00 C ATOM 72 OG SER A 27 0.059 -18.998 -3.701 1.00 0.00 O ATOM 0 H SER A 27 -1.672 -18.412 -2.457 1.00 0.00 H new ATOM 0 HA SER A 27 0.429 -17.755 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.779 -18.662 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.636 -19.771 -1.869 1.00 0.00 H new ATOM 0 HG SER A 27 0.465 -19.740 -4.196 1.00 0.00 H new ATOM 78 N THR A 28 -0.306 -15.548 -2.752 1.00 0.00 N ATOM 79 CA THR A 28 0.028 -14.219 -3.235 1.00 0.00 C ATOM 80 C THR A 28 0.208 -13.271 -2.045 1.00 0.00 C ATOM 81 O THR A 28 0.846 -12.212 -2.146 1.00 0.00 O ATOM 82 CB THR A 28 -1.101 -13.688 -4.126 1.00 0.00 C ATOM 83 OG1 THR A 28 -1.497 -14.730 -5.041 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.629 -12.468 -4.919 1.00 0.00 C ATOM 0 H THR A 28 -1.276 -15.821 -2.910 1.00 0.00 H new ATOM 0 HA THR A 28 0.952 -14.274 -3.810 1.00 0.00 H new ATOM 0 HB THR A 28 -1.943 -13.391 -3.501 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.220 -14.403 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.443 -12.104 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.323 -11.682 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.216 -12.748 -5.548 1.00 0.00 H new ATOM 92 N TRP A 29 -0.354 -13.670 -0.921 1.00 0.00 N ATOM 93 CA TRP A 29 -0.268 -12.897 0.271 1.00 0.00 C ATOM 94 C TRP A 29 1.036 -13.162 0.936 1.00 0.00 C ATOM 95 O TRP A 29 1.525 -14.297 0.962 1.00 0.00 O ATOM 96 CB TRP A 29 -1.366 -13.229 1.246 1.00 0.00 C ATOM 97 CG TRP A 29 -2.738 -12.993 0.759 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.416 -13.741 -0.104 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.603 -11.960 1.145 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.650 -13.234 -0.308 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.790 -12.136 0.455 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.481 -10.910 1.994 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.848 -11.298 0.598 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.555 -10.047 2.143 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.725 -10.260 1.440 1.00 0.00 C ATOM 0 H TRP A 29 -0.879 -14.539 -0.823 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.365 -11.850 -0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.274 -14.278 1.527 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.214 -12.642 2.152 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.032 -14.633 -0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.357 -13.619 -0.935 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.565 -10.749 2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.764 -11.462 0.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.477 -9.203 2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.554 -9.580 1.570 1.00 0.00 H new ATOM 116 N ILE A 30 1.573 -12.143 1.451 1.00 0.00 N ATOM 117 CA ILE A 30 2.803 -12.169 2.126 1.00 0.00 C ATOM 118 C ILE A 30 2.549 -12.037 3.601 1.00 0.00 C ATOM 119 O ILE A 30 1.933 -11.082 4.054 1.00 0.00 O ATOM 120 CB ILE A 30 3.696 -11.063 1.558 1.00 0.00 C ATOM 121 CG1 ILE A 30 3.946 -11.428 0.098 1.00 0.00 C ATOM 122 CG2 ILE A 30 5.007 -10.915 2.332 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.791 -10.484 -0.632 1.00 0.00 C ATOM 0 H ILE A 30 1.150 -11.216 1.415 1.00 0.00 H new ATOM 0 HA ILE A 30 3.329 -13.112 1.978 1.00 0.00 H new ATOM 0 HB ILE A 30 3.206 -10.094 1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.408 -12.414 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.986 -11.505 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.603 -10.118 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.790 -10.670 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.563 -11.851 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.913 -10.825 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.323 -9.500 -0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.767 -10.423 -0.151 1.00 0.00 H new ATOM 135 N GLN A 31 2.967 -13.022 4.321 1.00 0.00 N ATOM 136 CA GLN A 31 2.709 -13.106 5.725 1.00 0.00 C ATOM 137 C GLN A 31 3.863 -12.499 6.484 1.00 0.00 C ATOM 138 O GLN A 31 4.998 -12.982 6.419 1.00 0.00 O ATOM 139 CB GLN A 31 2.485 -14.563 6.096 1.00 0.00 C ATOM 140 CG GLN A 31 1.959 -14.823 7.464 1.00 0.00 C ATOM 141 CD GLN A 31 1.538 -16.268 7.594 1.00 0.00 C ATOM 142 OE1 GLN A 31 1.106 -16.911 6.619 1.00 0.00 O ATOM 143 NE2 GLN A 31 1.704 -16.802 8.735 1.00 0.00 N ATOM 0 H GLN A 31 3.505 -13.804 3.949 1.00 0.00 H new ATOM 0 HA GLN A 31 1.812 -12.547 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.792 -14.997 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.431 -15.093 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.723 -14.591 8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.110 -14.170 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.060 -16.245 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.481 -17.788 8.874 1.00 0.00 H new ATOM 152 N PHE A 32 3.588 -11.427 7.155 1.00 0.00 N ATOM 153 CA PHE A 32 4.567 -10.711 7.882 1.00 0.00 C ATOM 154 C PHE A 32 4.094 -10.524 9.292 1.00 0.00 C ATOM 155 O PHE A 32 3.026 -9.940 9.512 1.00 0.00 O ATOM 156 CB PHE A 32 4.804 -9.389 7.197 1.00 0.00 C ATOM 157 CG PHE A 32 5.835 -8.502 7.817 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.175 -8.833 7.760 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.466 -7.321 8.419 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.129 -8.003 8.291 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.418 -6.476 8.947 1.00 0.00 C ATOM 162 CZ PHE A 32 7.756 -6.822 8.881 1.00 0.00 C ATOM 0 H PHE A 32 2.653 -11.022 7.209 1.00 0.00 H new ATOM 0 HA PHE A 32 5.509 -11.259 7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.096 -9.585 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.860 -8.846 7.164 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.476 -9.758 7.291 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.421 -7.054 8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.172 -8.279 8.245 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.121 -5.547 9.411 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.506 -6.163 9.293 1.00 0.00 H new ATOM 172 N GLN A 33 4.878 -11.049 10.230 1.00 0.00 N ATOM 173 CA GLN A 33 4.610 -11.010 11.667 1.00 0.00 C ATOM 174 C GLN A 33 3.334 -11.766 12.022 1.00 0.00 C ATOM 175 O GLN A 33 3.383 -12.933 12.419 1.00 0.00 O ATOM 176 CB GLN A 33 4.582 -9.572 12.190 1.00 0.00 C ATOM 177 CG GLN A 33 5.879 -8.823 11.948 1.00 0.00 C ATOM 178 CD GLN A 33 5.792 -7.371 12.331 1.00 0.00 C ATOM 179 OE1 GLN A 33 4.727 -6.756 12.264 1.00 0.00 O ATOM 180 NE2 GLN A 33 6.901 -6.792 12.686 1.00 0.00 N ATOM 0 H GLN A 33 5.748 -11.530 10.004 1.00 0.00 H new ATOM 0 HA GLN A 33 5.433 -11.521 12.167 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.764 -9.034 11.711 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.372 -9.585 13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.679 -9.297 12.517 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.148 -8.901 10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.766 -7.331 12.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.906 -5.799 12.919 1.00 0.00 H new ATOM 189 N ASP A 34 2.214 -11.131 11.826 1.00 0.00 N ATOM 190 CA ASP A 34 0.928 -11.705 12.135 1.00 0.00 C ATOM 191 C ASP A 34 -0.103 -11.140 11.167 1.00 0.00 C ATOM 192 O ASP A 34 -1.287 -11.008 11.484 1.00 0.00 O ATOM 193 CB ASP A 34 0.540 -11.403 13.606 1.00 0.00 C ATOM 194 CG ASP A 34 0.184 -9.944 13.892 1.00 0.00 C ATOM 195 OD1 ASP A 34 0.986 -9.020 13.592 1.00 0.00 O ATOM 196 OD2 ASP A 34 -0.916 -9.696 14.427 1.00 0.00 O ATOM 0 H ASP A 34 2.164 -10.187 11.442 1.00 0.00 H new ATOM 0 HA ASP A 34 0.968 -12.789 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.310 -12.029 13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.369 -11.693 14.252 1.00 0.00 H new ATOM 201 N SER A 35 0.333 -10.886 9.962 1.00 0.00 N ATOM 202 CA SER A 35 -0.519 -10.315 8.965 1.00 0.00 C ATOM 203 C SER A 35 -0.229 -10.851 7.609 1.00 0.00 C ATOM 204 O SER A 35 0.824 -11.415 7.362 1.00 0.00 O ATOM 205 CB SER A 35 -0.379 -8.802 8.971 1.00 0.00 C ATOM 206 OG SER A 35 -0.971 -8.156 7.878 1.00 0.00 O ATOM 0 H SER A 35 1.286 -11.070 9.649 1.00 0.00 H new ATOM 0 HA SER A 35 -1.545 -10.589 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.821 -8.413 9.889 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.681 -8.549 8.995 1.00 0.00 H new ATOM 0 HG SER A 35 -0.284 -7.941 7.214 1.00 0.00 H new ATOM 212 N CYS A 36 -1.166 -10.641 6.755 1.00 0.00 N ATOM 213 CA CYS A 36 -1.092 -10.984 5.405 1.00 0.00 C ATOM 214 C CYS A 36 -1.284 -9.766 4.578 1.00 0.00 C ATOM 215 O CYS A 36 -2.173 -8.944 4.804 1.00 0.00 O ATOM 216 CB CYS A 36 -2.072 -12.066 5.077 1.00 0.00 C ATOM 217 SG CYS A 36 -1.745 -13.656 5.899 1.00 0.00 S ATOM 0 H CYS A 36 -2.050 -10.199 7.008 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.105 -11.388 5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.072 -11.729 5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.073 -12.223 3.998 1.00 0.00 H new ATOM 222 N TYR A 37 -0.396 -9.648 3.675 1.00 0.00 N ATOM 223 CA TYR A 37 -0.244 -8.531 2.835 1.00 0.00 C ATOM 224 C TYR A 37 -0.348 -8.903 1.377 1.00 0.00 C ATOM 225 O TYR A 37 0.140 -9.936 0.979 1.00 0.00 O ATOM 226 CB TYR A 37 1.131 -8.039 3.110 1.00 0.00 C ATOM 227 CG TYR A 37 1.321 -7.398 4.424 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.552 -8.149 5.518 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.342 -6.057 4.540 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.801 -7.628 6.716 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.571 -5.469 5.761 1.00 0.00 C ATOM 232 CZ TYR A 37 1.808 -6.274 6.855 1.00 0.00 C ATOM 233 OH TYR A 37 2.073 -5.717 8.068 1.00 0.00 O ATOM 0 H TYR A 37 0.291 -10.378 3.490 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.022 -7.792 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.822 -8.878 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.406 -7.325 2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.534 -9.224 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.178 -5.440 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.994 -8.268 7.564 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.565 -4.394 5.862 1.00 0.00 H new ATOM 0 HH TYR A 37 2.988 -5.367 8.074 1.00 0.00 H new ATOM 243 N ILE A 38 -0.984 -8.072 0.597 1.00 0.00 N ATOM 244 CA ILE A 38 -1.077 -8.294 -0.832 1.00 0.00 C ATOM 245 C ILE A 38 -1.169 -6.960 -1.570 1.00 0.00 C ATOM 246 O ILE A 38 -1.855 -6.056 -1.114 1.00 0.00 O ATOM 247 CB ILE A 38 -2.259 -9.236 -1.206 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.237 -9.580 -2.698 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.595 -8.632 -0.807 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.320 -10.541 -3.114 1.00 0.00 C ATOM 0 H ILE A 38 -1.451 -7.226 0.924 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.166 -8.802 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.133 -10.162 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.338 -8.661 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.267 -10.009 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.399 -9.314 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.612 -8.466 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.733 -7.682 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.241 -10.737 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.208 -11.475 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.296 -10.106 -2.896 1.00 0.00 H new ATOM 262 N PHE A 39 -0.425 -6.800 -2.651 1.00 0.00 N ATOM 263 CA PHE A 39 -0.548 -5.585 -3.429 1.00 0.00 C ATOM 264 C PHE A 39 -1.231 -5.908 -4.643 1.00 0.00 C ATOM 265 O PHE A 39 -0.810 -6.800 -5.394 1.00 0.00 O ATOM 266 CB PHE A 39 0.743 -4.999 -3.880 1.00 0.00 C ATOM 267 CG PHE A 39 0.692 -3.515 -4.063 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.796 -2.707 -2.992 1.00 0.00 C ATOM 269 CD2 PHE A 39 0.560 -2.951 -5.292 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.772 -1.340 -3.118 1.00 0.00 C ATOM 271 CE2 PHE A 39 0.532 -1.579 -5.440 1.00 0.00 C ATOM 272 CZ PHE A 39 0.639 -0.775 -4.351 1.00 0.00 C ATOM 0 H PHE A 39 0.253 -7.477 -3.001 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.052 -4.872 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.517 -5.241 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.035 -5.464 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.901 -3.144 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.476 -3.584 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.858 -0.714 -2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.425 -1.145 -6.423 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.619 0.299 -4.461 1.00 0.00 H new ATOM 282 N LEU A 40 -2.225 -5.230 -4.884 1.00 0.00 N ATOM 283 CA LEU A 40 -2.897 -5.413 -6.035 1.00 0.00 C ATOM 284 C LEU A 40 -2.986 -4.152 -6.782 1.00 0.00 C ATOM 285 O LEU A 40 -3.712 -3.236 -6.398 1.00 0.00 O ATOM 286 CB LEU A 40 -4.234 -6.192 -5.908 1.00 0.00 C ATOM 287 CG LEU A 40 -5.131 -6.035 -4.647 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.445 -6.557 -3.411 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.637 -4.608 -4.438 1.00 0.00 C ATOM 0 H LEU A 40 -2.604 -4.511 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.305 -6.104 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.844 -5.923 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.997 -7.252 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.014 -6.647 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.101 -6.431 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.216 -7.615 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.521 -6.003 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.256 -4.569 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.788 -3.934 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.228 -4.302 -5.301 1.00 0.00 H new ATOM 301 N GLN A 41 -2.129 -4.009 -7.741 1.00 0.00 N ATOM 302 CA GLN A 41 -2.307 -2.911 -8.628 1.00 0.00 C ATOM 303 C GLN A 41 -3.580 -3.109 -9.462 1.00 0.00 C ATOM 304 O GLN A 41 -3.589 -3.831 -10.470 1.00 0.00 O ATOM 305 CB GLN A 41 -1.066 -2.658 -9.488 1.00 0.00 C ATOM 306 CG GLN A 41 0.060 -2.117 -8.650 1.00 0.00 C ATOM 307 CD GLN A 41 1.291 -1.708 -9.396 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.232 -1.292 -10.558 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.430 -1.803 -8.741 1.00 0.00 N ATOM 0 H GLN A 41 -1.329 -4.614 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.438 -2.006 -8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.755 -3.586 -9.969 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.306 -1.952 -10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.308 -1.255 -8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.338 -2.874 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.439 -2.151 -7.782 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.302 -1.528 -9.193 1.00 0.00 H new ATOM 318 N GLU A 42 -4.653 -2.521 -8.960 1.00 0.00 N ATOM 319 CA GLU A 42 -5.956 -2.478 -9.589 1.00 0.00 C ATOM 320 C GLU A 42 -6.302 -1.037 -9.956 1.00 0.00 C ATOM 321 O GLU A 42 -6.354 -0.166 -9.087 1.00 0.00 O ATOM 322 CB GLU A 42 -7.029 -3.000 -8.628 1.00 0.00 C ATOM 323 CG GLU A 42 -6.919 -4.473 -8.240 1.00 0.00 C ATOM 324 CD GLU A 42 -7.042 -5.415 -9.413 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.003 -5.284 -10.208 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.216 -6.338 -9.540 1.00 0.00 O ATOM 0 H GLU A 42 -4.635 -2.039 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.927 -3.102 -10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.996 -2.401 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.006 -2.836 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.961 -4.641 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.696 -4.708 -7.512 1.00 0.00 H new ATOM 333 N ALA A 43 -6.542 -0.789 -11.204 1.00 0.00 N ATOM 334 CA ALA A 43 -6.925 0.535 -11.645 1.00 0.00 C ATOM 335 C ALA A 43 -8.433 0.676 -11.529 1.00 0.00 C ATOM 336 O ALA A 43 -9.180 -0.071 -12.181 1.00 0.00 O ATOM 337 CB ALA A 43 -6.494 0.747 -13.083 1.00 0.00 C ATOM 0 H ALA A 43 -6.482 -1.484 -11.948 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.437 1.285 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.786 1.746 -13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.411 0.644 -13.157 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.974 0.004 -13.720 1.00 0.00 H new ATOM 343 N ILE A 44 -8.880 1.590 -10.692 1.00 0.00 N ATOM 344 CA ILE A 44 -10.314 1.829 -10.481 1.00 0.00 C ATOM 345 C ILE A 44 -10.566 3.305 -10.246 1.00 0.00 C ATOM 346 O ILE A 44 -9.647 4.055 -9.876 1.00 0.00 O ATOM 347 CB ILE A 44 -10.972 1.055 -9.283 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.476 1.569 -7.944 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.775 -0.454 -9.379 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.308 1.084 -6.788 1.00 0.00 C ATOM 0 H ILE A 44 -8.272 2.191 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.775 1.453 -11.394 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.042 1.249 -9.352 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.443 1.254 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.478 2.659 -7.955 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.250 -0.938 -8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.225 -0.822 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.709 -0.683 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.906 1.484 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.337 1.422 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.285 -0.005 -6.755 1.00 0.00 H new ATOM 362 N LYS A 45 -11.766 3.729 -10.518 1.00 0.00 N ATOM 363 CA LYS A 45 -12.189 5.055 -10.253 1.00 0.00 C ATOM 364 C LYS A 45 -12.283 5.236 -8.742 1.00 0.00 C ATOM 365 O LYS A 45 -13.167 4.675 -8.086 1.00 0.00 O ATOM 366 CB LYS A 45 -13.556 5.280 -10.867 1.00 0.00 C ATOM 367 CG LYS A 45 -14.046 6.699 -10.781 1.00 0.00 C ATOM 368 CD LYS A 45 -13.241 7.591 -11.701 1.00 0.00 C ATOM 369 CE LYS A 45 -13.781 9.018 -11.738 1.00 0.00 C ATOM 370 NZ LYS A 45 -13.760 9.668 -10.421 1.00 0.00 N ATOM 0 H LYS A 45 -12.486 3.142 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.481 5.767 -10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.524 4.982 -11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.276 4.629 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.101 6.743 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.965 7.057 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.202 7.606 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.251 7.174 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.190 9.607 -12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.803 9.005 -12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.754 10.701 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.604 9.388 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.907 9.376 -9.903 1.00 0.00 H new ATOM 384 N VAL A 46 -11.377 5.969 -8.205 1.00 0.00 N ATOM 385 CA VAL A 46 -11.335 6.205 -6.801 1.00 0.00 C ATOM 386 C VAL A 46 -11.944 7.535 -6.487 1.00 0.00 C ATOM 387 O VAL A 46 -11.449 8.577 -6.876 1.00 0.00 O ATOM 388 CB VAL A 46 -9.899 6.111 -6.253 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.845 6.348 -4.764 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.292 4.777 -6.605 1.00 0.00 C ATOM 0 H VAL A 46 -10.634 6.429 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.918 5.427 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.314 6.901 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.813 6.272 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.230 7.343 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.453 5.600 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.277 4.724 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.892 3.978 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.267 4.663 -7.689 1.00 0.00 H new ATOM 400 N GLU A 47 -13.029 7.471 -5.834 1.00 0.00 N ATOM 401 CA GLU A 47 -13.765 8.628 -5.433 1.00 0.00 C ATOM 402 C GLU A 47 -13.207 9.144 -4.110 1.00 0.00 C ATOM 403 O GLU A 47 -13.054 10.355 -3.894 1.00 0.00 O ATOM 404 CB GLU A 47 -15.210 8.227 -5.262 1.00 0.00 C ATOM 405 CG GLU A 47 -15.865 7.744 -6.480 1.00 0.00 C ATOM 406 CD GLU A 47 -16.000 8.796 -7.542 1.00 0.00 C ATOM 407 OE1 GLU A 47 -16.776 9.754 -7.360 1.00 0.00 O ATOM 408 OE2 GLU A 47 -15.344 8.693 -8.579 1.00 0.00 O ATOM 0 H GLU A 47 -13.457 6.591 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.683 9.416 -6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.268 7.447 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.767 9.084 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.297 6.905 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.855 7.366 -6.226 1.00 0.00 H new ATOM 415 N SER A 48 -12.877 8.211 -3.259 1.00 0.00 N ATOM 416 CA SER A 48 -12.350 8.467 -1.960 1.00 0.00 C ATOM 417 C SER A 48 -11.390 7.389 -1.655 1.00 0.00 C ATOM 418 O SER A 48 -11.430 6.366 -2.307 1.00 0.00 O ATOM 419 CB SER A 48 -13.451 8.425 -0.924 1.00 0.00 C ATOM 420 OG SER A 48 -14.396 9.459 -1.126 1.00 0.00 O ATOM 0 H SER A 48 -12.974 7.217 -3.466 1.00 0.00 H new ATOM 0 HA SER A 48 -11.881 9.451 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.954 7.459 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.018 8.517 0.072 1.00 0.00 H new ATOM 0 HG SER A 48 -14.024 10.309 -0.810 1.00 0.00 H new ATOM 426 N ILE A 49 -10.557 7.561 -0.653 1.00 0.00 N ATOM 427 CA ILE A 49 -9.617 6.542 -0.307 1.00 0.00 C ATOM 428 C ILE A 49 -10.348 5.268 0.143 1.00 0.00 C ATOM 429 O ILE A 49 -9.860 4.178 0.039 1.00 0.00 O ATOM 430 CB ILE A 49 -8.620 7.016 0.732 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.602 5.962 0.980 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.309 7.377 1.980 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.472 6.401 1.890 1.00 0.00 C ATOM 0 H ILE A 49 -10.518 8.397 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.039 6.304 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.115 7.905 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.092 5.093 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.184 5.643 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.578 7.715 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.022 8.177 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.838 6.507 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.771 5.577 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.954 7.250 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.877 6.692 2.859 1.00 0.00 H new ATOM 445 N GLU A 50 -11.527 5.456 0.574 1.00 0.00 N ATOM 446 CA GLU A 50 -12.449 4.373 0.900 1.00 0.00 C ATOM 447 C GLU A 50 -12.635 3.463 -0.351 1.00 0.00 C ATOM 448 O GLU A 50 -12.694 2.261 -0.245 1.00 0.00 O ATOM 449 CB GLU A 50 -13.791 4.954 1.257 1.00 0.00 C ATOM 450 CG GLU A 50 -13.794 5.940 2.403 1.00 0.00 C ATOM 451 CD GLU A 50 -13.826 5.288 3.753 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.879 4.711 4.102 1.00 0.00 O ATOM 453 OE2 GLU A 50 -12.837 5.371 4.493 1.00 0.00 O ATOM 0 H GLU A 50 -11.921 6.385 0.726 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.048 3.798 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.199 5.448 0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.467 4.135 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.907 6.569 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.659 6.597 2.305 1.00 0.00 H new ATOM 460 N ASP A 51 -12.649 4.068 -1.521 1.00 0.00 N ATOM 461 CA ASP A 51 -12.836 3.381 -2.768 1.00 0.00 C ATOM 462 C ASP A 51 -11.661 2.533 -3.117 1.00 0.00 C ATOM 463 O ASP A 51 -11.802 1.472 -3.688 1.00 0.00 O ATOM 464 CB ASP A 51 -13.074 4.373 -3.881 1.00 0.00 C ATOM 465 CG ASP A 51 -14.455 4.966 -3.862 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.696 5.917 -3.098 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.318 4.501 -4.610 1.00 0.00 O ATOM 0 H ASP A 51 -12.527 5.075 -1.626 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.705 2.734 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.340 5.176 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.911 3.880 -4.839 1.00 0.00 H new ATOM 472 N VAL A 52 -10.517 2.968 -2.739 1.00 0.00 N ATOM 473 CA VAL A 52 -9.312 2.273 -3.067 1.00 0.00 C ATOM 474 C VAL A 52 -9.038 1.241 -2.036 1.00 0.00 C ATOM 475 O VAL A 52 -8.564 0.158 -2.317 1.00 0.00 O ATOM 476 CB VAL A 52 -8.127 3.245 -3.231 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.179 4.363 -2.280 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.790 2.539 -3.277 1.00 0.00 C ATOM 0 H VAL A 52 -10.381 3.818 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.442 1.777 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.235 3.702 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.321 5.016 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.099 4.928 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.156 3.976 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.994 3.274 -3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.639 1.985 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.772 1.848 -4.120 1.00 0.00 H new ATOM 488 N ARG A 53 -9.434 1.552 -0.860 1.00 0.00 N ATOM 489 CA ARG A 53 -9.254 0.709 0.243 1.00 0.00 C ATOM 490 C ARG A 53 -10.191 -0.516 0.103 1.00 0.00 C ATOM 491 O ARG A 53 -9.940 -1.598 0.637 1.00 0.00 O ATOM 492 CB ARG A 53 -9.435 1.596 1.496 1.00 0.00 C ATOM 493 CG ARG A 53 -10.765 1.923 1.956 1.00 0.00 C ATOM 494 CD ARG A 53 -11.349 0.803 2.709 1.00 0.00 C ATOM 495 NE ARG A 53 -12.157 1.275 3.796 1.00 0.00 N ATOM 496 CZ ARG A 53 -13.505 1.257 3.840 1.00 0.00 C ATOM 497 NH1 ARG A 53 -14.221 0.800 2.796 1.00 0.00 N ATOM 498 NH2 ARG A 53 -14.131 1.721 4.906 1.00 0.00 N ATOM 0 H ARG A 53 -9.906 2.429 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.264 0.261 0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.917 1.105 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.916 2.536 1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.728 2.811 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.400 2.164 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.954 0.189 2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.553 0.166 3.094 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.670 1.658 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.745 0.462 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.240 0.791 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.595 2.091 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.150 1.710 4.944 1.00 0.00 H new ATOM 512 N ASN A 54 -11.216 -0.315 -0.704 1.00 0.00 N ATOM 513 CA ASN A 54 -12.189 -1.341 -1.085 1.00 0.00 C ATOM 514 C ASN A 54 -11.553 -2.454 -1.864 1.00 0.00 C ATOM 515 O ASN A 54 -12.031 -3.585 -1.842 1.00 0.00 O ATOM 516 CB ASN A 54 -13.302 -0.755 -1.925 1.00 0.00 C ATOM 517 CG ASN A 54 -14.336 -0.021 -1.111 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.552 -0.325 0.070 1.00 0.00 O ATOM 519 ND2 ASN A 54 -15.004 0.912 -1.724 1.00 0.00 N ATOM 0 H ASN A 54 -11.407 0.592 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.592 -1.737 -0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.874 -0.072 -2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.789 -1.556 -2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.736 1.423 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.796 1.133 -2.698 1.00 0.00 H new ATOM 526 N GLN A 55 -10.472 -2.145 -2.551 1.00 0.00 N ATOM 527 CA GLN A 55 -9.754 -3.139 -3.326 1.00 0.00 C ATOM 528 C GLN A 55 -9.204 -4.192 -2.387 1.00 0.00 C ATOM 529 O GLN A 55 -9.132 -5.364 -2.717 1.00 0.00 O ATOM 530 CB GLN A 55 -8.621 -2.488 -4.095 1.00 0.00 C ATOM 531 CG GLN A 55 -9.073 -1.369 -5.003 1.00 0.00 C ATOM 532 CD GLN A 55 -7.916 -0.668 -5.701 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.878 -1.254 -5.964 1.00 0.00 O ATOM 534 NE2 GLN A 55 -8.100 0.590 -6.006 1.00 0.00 N ATOM 0 H GLN A 55 -10.069 -1.209 -2.589 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.434 -3.602 -4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.889 -2.098 -3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.114 -3.247 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.754 -1.770 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.635 -0.639 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.980 1.048 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.363 1.113 -6.479 1.00 0.00 H new ATOM 543 N CYS A 56 -8.880 -3.772 -1.191 1.00 0.00 N ATOM 544 CA CYS A 56 -8.373 -4.647 -0.214 1.00 0.00 C ATOM 545 C CYS A 56 -9.458 -5.384 0.493 1.00 0.00 C ATOM 546 O CYS A 56 -9.324 -6.584 0.741 1.00 0.00 O ATOM 547 CB CYS A 56 -7.527 -3.906 0.754 1.00 0.00 C ATOM 548 SG CYS A 56 -6.081 -3.189 -0.012 1.00 0.00 S ATOM 0 H CYS A 56 -8.968 -2.803 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.759 -5.389 -0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.118 -3.116 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.215 -4.581 1.551 1.00 0.00 H new ATOM 553 N THR A 57 -10.550 -4.708 0.784 1.00 0.00 N ATOM 554 CA THR A 57 -11.666 -5.323 1.492 1.00 0.00 C ATOM 555 C THR A 57 -12.341 -6.364 0.622 1.00 0.00 C ATOM 556 O THR A 57 -13.021 -7.279 1.106 1.00 0.00 O ATOM 557 CB THR A 57 -12.651 -4.266 1.979 1.00 0.00 C ATOM 558 OG1 THR A 57 -13.085 -3.493 0.872 1.00 0.00 O ATOM 559 CG2 THR A 57 -11.974 -3.343 2.967 1.00 0.00 C ATOM 0 H THR A 57 -10.694 -3.728 0.542 1.00 0.00 H new ATOM 0 HA THR A 57 -11.278 -5.833 2.374 1.00 0.00 H new ATOM 0 HB THR A 57 -13.496 -4.762 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.659 -3.825 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.685 -2.591 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.618 -3.921 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.130 -2.850 2.485 1.00 0.00 H new ATOM 567 N ASP A 58 -12.075 -6.250 -0.661 1.00 0.00 N ATOM 568 CA ASP A 58 -12.544 -7.207 -1.659 1.00 0.00 C ATOM 569 C ASP A 58 -11.776 -8.521 -1.484 1.00 0.00 C ATOM 570 O ASP A 58 -12.256 -9.598 -1.807 1.00 0.00 O ATOM 571 CB ASP A 58 -12.312 -6.659 -3.073 1.00 0.00 C ATOM 572 CG ASP A 58 -12.918 -7.531 -4.154 1.00 0.00 C ATOM 573 OD1 ASP A 58 -14.100 -7.324 -4.504 1.00 0.00 O ATOM 574 OD2 ASP A 58 -12.223 -8.420 -4.685 1.00 0.00 O ATOM 0 H ASP A 58 -11.523 -5.486 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.612 -7.377 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.736 -5.657 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.240 -6.565 -3.249 1.00 0.00 H new ATOM 579 N HIS A 59 -10.591 -8.411 -0.891 1.00 0.00 N ATOM 580 CA HIS A 59 -9.724 -9.548 -0.663 1.00 0.00 C ATOM 581 C HIS A 59 -9.806 -9.985 0.775 1.00 0.00 C ATOM 582 O HIS A 59 -9.056 -10.850 1.212 1.00 0.00 O ATOM 583 CB HIS A 59 -8.243 -9.275 -1.040 1.00 0.00 C ATOM 584 CG HIS A 59 -7.935 -9.119 -2.507 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.075 -8.071 -3.332 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -7.358 -10.118 -3.271 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -7.591 -8.436 -4.558 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -7.166 -9.673 -4.497 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.210 -7.526 -0.557 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.080 -10.342 -1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.923 -8.368 -0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.637 -10.093 -0.650 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.472 -7.163 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.105 -11.107 -2.918 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.564 -7.806 -5.435 1.00 0.00 H new ATOM 597 N GLY A 60 -10.728 -9.400 1.510 1.00 0.00 N ATOM 598 CA GLY A 60 -10.861 -9.725 2.907 1.00 0.00 C ATOM 599 C GLY A 60 -9.755 -9.103 3.718 1.00 0.00 C ATOM 600 O GLY A 60 -9.326 -9.632 4.747 1.00 0.00 O ATOM 0 H GLY A 60 -11.389 -8.704 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.826 -9.375 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.845 -10.807 3.035 1.00 0.00 H new ATOM 604 N ALA A 61 -9.277 -8.010 3.227 1.00 0.00 N ATOM 605 CA ALA A 61 -8.225 -7.246 3.872 1.00 0.00 C ATOM 606 C ALA A 61 -8.638 -5.812 3.919 1.00 0.00 C ATOM 607 O ALA A 61 -9.716 -5.495 3.535 1.00 0.00 O ATOM 608 CB ALA A 61 -6.931 -7.376 3.097 1.00 0.00 C ATOM 0 H ALA A 61 -9.602 -7.602 2.351 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.065 -7.626 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.151 -6.798 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.635 -8.424 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.074 -6.999 2.084 1.00 0.00 H new ATOM 614 N ASP A 62 -7.823 -4.978 4.435 1.00 0.00 N ATOM 615 CA ASP A 62 -8.064 -3.555 4.369 1.00 0.00 C ATOM 616 C ASP A 62 -6.734 -2.956 4.015 1.00 0.00 C ATOM 617 O ASP A 62 -5.757 -3.705 3.954 1.00 0.00 O ATOM 618 CB ASP A 62 -8.605 -2.984 5.673 1.00 0.00 C ATOM 619 CG ASP A 62 -9.487 -1.770 5.428 1.00 0.00 C ATOM 620 OD1 ASP A 62 -9.139 -0.923 4.583 1.00 0.00 O ATOM 621 OD2 ASP A 62 -10.582 -1.682 6.064 1.00 0.00 O ATOM 0 H ASP A 62 -6.965 -5.241 4.919 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.834 -3.322 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.176 -3.750 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.774 -2.706 6.322 1.00 0.00 H new ATOM 626 N MET A 63 -6.661 -1.694 3.696 1.00 0.00 N ATOM 627 CA MET A 63 -5.368 -1.118 3.299 1.00 0.00 C ATOM 628 C MET A 63 -4.302 -1.236 4.390 1.00 0.00 C ATOM 629 O MET A 63 -4.603 -1.312 5.595 1.00 0.00 O ATOM 630 CB MET A 63 -5.447 0.329 2.785 1.00 0.00 C ATOM 631 CG MET A 63 -6.209 0.504 1.504 1.00 0.00 C ATOM 632 SD MET A 63 -6.263 2.228 0.920 1.00 0.00 S ATOM 633 CE MET A 63 -4.538 2.569 0.554 1.00 0.00 C ATOM 0 H MET A 63 -7.447 -1.044 3.696 1.00 0.00 H new ATOM 0 HA MET A 63 -5.063 -1.734 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.910 0.947 3.554 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.434 0.704 2.642 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.755 -0.118 0.733 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.228 0.144 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.327 3.621 0.743 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.902 1.952 1.189 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.336 2.341 -0.493 1.00 0.00 H new ATOM 643 N ILE A 64 -3.085 -1.335 3.916 1.00 0.00 N ATOM 644 CA ILE A 64 -1.841 -1.401 4.688 1.00 0.00 C ATOM 645 C ILE A 64 -1.795 -0.424 5.893 1.00 0.00 C ATOM 646 O ILE A 64 -2.306 0.673 5.836 1.00 0.00 O ATOM 647 CB ILE A 64 -0.660 -1.069 3.737 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.595 -0.719 4.525 1.00 0.00 C ATOM 649 CG2 ILE A 64 -1.038 0.022 2.732 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.713 -0.178 3.709 1.00 0.00 C ATOM 0 H ILE A 64 -2.911 -1.375 2.912 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.775 -2.408 5.100 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.435 -1.963 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.335 0.013 5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.942 -1.612 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.187 0.229 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.881 -0.315 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.315 0.930 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.562 0.042 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.007 -0.914 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.390 0.736 3.211 1.00 0.00 H new ATOM 662 N SER A 65 -1.156 -0.829 6.967 1.00 0.00 N ATOM 663 CA SER A 65 -1.022 0.005 8.127 1.00 0.00 C ATOM 664 C SER A 65 0.250 -0.316 8.884 1.00 0.00 C ATOM 665 O SER A 65 0.462 -1.450 9.312 1.00 0.00 O ATOM 666 CB SER A 65 -2.228 -0.134 9.004 1.00 0.00 C ATOM 667 OG SER A 65 -3.411 0.303 8.319 1.00 0.00 O ATOM 0 H SER A 65 -0.717 -1.745 7.055 1.00 0.00 H new ATOM 0 HA SER A 65 -0.953 1.043 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.343 -1.174 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.091 0.452 9.913 1.00 0.00 H new ATOM 0 HG SER A 65 -3.171 0.625 7.425 1.00 0.00 H new ATOM 673 N ILE A 66 1.032 0.710 9.118 1.00 0.00 N ATOM 674 CA ILE A 66 2.342 0.575 9.680 1.00 0.00 C ATOM 675 C ILE A 66 2.368 0.860 11.140 1.00 0.00 C ATOM 676 O ILE A 66 1.939 1.919 11.608 1.00 0.00 O ATOM 677 CB ILE A 66 3.337 1.484 8.941 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.363 1.075 7.462 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.711 1.441 9.595 1.00 0.00 C ATOM 680 CD1 ILE A 66 4.222 1.901 6.556 1.00 0.00 C ATOM 0 H ILE A 66 0.766 1.674 8.918 1.00 0.00 H new ATOM 0 HA ILE A 66 2.639 -0.466 9.552 1.00 0.00 H new ATOM 0 HB ILE A 66 3.018 2.524 9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.698 0.040 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.342 1.102 7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.394 2.094 9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.633 1.779 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.092 0.420 9.575 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.157 1.513 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.879 2.935 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.257 1.856 6.895 1.00 0.00 H new ATOM 692 N HIS A 67 2.835 -0.103 11.870 1.00 0.00 N ATOM 693 CA HIS A 67 2.983 0.055 13.269 1.00 0.00 C ATOM 694 C HIS A 67 4.451 -0.050 13.677 1.00 0.00 C ATOM 695 O HIS A 67 4.755 0.039 14.856 1.00 0.00 O ATOM 696 CB HIS A 67 2.093 -0.930 14.059 1.00 0.00 C ATOM 697 CG HIS A 67 0.599 -0.742 13.850 1.00 0.00 C ATOM 698 ND1 HIS A 67 -0.212 -0.123 14.764 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.224 -1.125 12.834 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.455 -0.132 14.340 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.508 -0.738 13.173 1.00 0.00 N ATOM 0 H HIS A 67 3.121 -1.013 11.509 1.00 0.00 H new ATOM 0 HA HIS A 67 2.639 1.057 13.526 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.361 -1.948 13.776 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.314 -0.826 15.121 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.072 -1.637 11.930 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.299 0.290 14.865 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.348 -0.895 12.616 1.00 0.00 H new ATOM 710 N ASN A 68 5.391 -0.177 12.679 1.00 0.00 N ATOM 711 CA ASN A 68 6.859 -0.253 12.974 1.00 0.00 C ATOM 712 C ASN A 68 7.636 0.008 11.715 1.00 0.00 C ATOM 713 O ASN A 68 7.086 -0.035 10.629 1.00 0.00 O ATOM 714 CB ASN A 68 7.351 -1.637 13.470 1.00 0.00 C ATOM 715 CG ASN A 68 6.742 -2.175 14.723 1.00 0.00 C ATOM 716 OD1 ASN A 68 7.213 -1.927 15.821 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.707 -2.929 14.557 1.00 0.00 N ATOM 0 H ASN A 68 5.160 -0.228 11.687 1.00 0.00 H new ATOM 0 HA ASN A 68 7.018 0.483 13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.178 -2.361 12.674 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.429 -1.578 13.618 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.246 -3.347 15.365 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.351 -3.106 13.618 1.00 0.00 H new ATOM 724 N GLU A 69 8.934 0.227 11.860 1.00 0.00 N ATOM 725 CA GLU A 69 9.826 0.375 10.736 1.00 0.00 C ATOM 726 C GLU A 69 9.912 -0.942 10.029 1.00 0.00 C ATOM 727 O GLU A 69 10.129 -0.990 8.842 1.00 0.00 O ATOM 728 CB GLU A 69 11.208 0.786 11.195 1.00 0.00 C ATOM 729 CG GLU A 69 11.894 -0.230 12.060 1.00 0.00 C ATOM 730 CD GLU A 69 13.155 0.281 12.669 1.00 0.00 C ATOM 731 OE1 GLU A 69 13.107 0.844 13.779 1.00 0.00 O ATOM 732 OE2 GLU A 69 14.223 0.126 12.056 1.00 0.00 O ATOM 0 H GLU A 69 9.393 0.306 12.767 1.00 0.00 H new ATOM 0 HA GLU A 69 9.442 1.149 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.827 0.979 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.132 1.724 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.214 -0.542 12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.117 -1.115 11.464 1.00 0.00 H new ATOM 739 N GLU A 70 9.692 -2.004 10.801 1.00 0.00 N ATOM 740 CA GLU A 70 9.659 -3.310 10.353 1.00 0.00 C ATOM 741 C GLU A 70 8.611 -3.443 9.288 1.00 0.00 C ATOM 742 O GLU A 70 8.879 -3.969 8.228 1.00 0.00 O ATOM 743 CB GLU A 70 9.351 -4.161 11.552 1.00 0.00 C ATOM 744 CG GLU A 70 10.557 -4.587 12.355 1.00 0.00 C ATOM 745 CD GLU A 70 11.517 -5.465 11.571 1.00 0.00 C ATOM 746 OE1 GLU A 70 11.350 -6.701 11.576 1.00 0.00 O ATOM 747 OE2 GLU A 70 12.473 -4.946 10.972 1.00 0.00 O ATOM 0 H GLU A 70 9.528 -1.924 11.805 1.00 0.00 H new ATOM 0 HA GLU A 70 10.605 -3.622 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.673 -3.611 12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.820 -5.053 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.087 -3.700 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.223 -5.126 13.242 1.00 0.00 H new ATOM 754 N GLU A 71 7.436 -2.898 9.576 1.00 0.00 N ATOM 755 CA GLU A 71 6.335 -2.872 8.638 1.00 0.00 C ATOM 756 C GLU A 71 6.747 -2.005 7.467 1.00 0.00 C ATOM 757 O GLU A 71 6.812 -2.453 6.361 1.00 0.00 O ATOM 758 CB GLU A 71 5.116 -2.211 9.282 1.00 0.00 C ATOM 759 CG GLU A 71 3.773 -2.813 8.928 1.00 0.00 C ATOM 760 CD GLU A 71 3.565 -3.054 7.550 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.977 -4.126 7.107 1.00 0.00 O ATOM 762 OE2 GLU A 71 2.892 -2.233 6.921 1.00 0.00 O ATOM 0 H GLU A 71 7.225 -2.461 10.473 1.00 0.00 H new ATOM 0 HA GLU A 71 6.092 -3.890 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.236 -2.250 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.106 -1.158 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.662 -3.755 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.988 -2.147 9.286 1.00 0.00 H new ATOM 769 N ASN A 72 7.155 -0.778 7.782 1.00 0.00 N ATOM 770 CA ASN A 72 7.445 0.241 6.801 1.00 0.00 C ATOM 771 C ASN A 72 8.425 -0.254 5.753 1.00 0.00 C ATOM 772 O ASN A 72 8.155 -0.229 4.557 1.00 0.00 O ATOM 773 CB ASN A 72 8.025 1.474 7.499 1.00 0.00 C ATOM 774 CG ASN A 72 8.360 2.554 6.507 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.556 3.379 6.210 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.573 2.561 6.017 1.00 0.00 N ATOM 0 H ASN A 72 7.293 -0.468 8.744 1.00 0.00 H new ATOM 0 HA ASN A 72 6.513 0.497 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.308 1.854 8.226 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.922 1.194 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.853 3.289 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.238 1.839 6.292 1.00 0.00 H new ATOM 783 N ALA A 73 9.533 -0.733 6.227 1.00 0.00 N ATOM 784 CA ALA A 73 10.604 -1.205 5.392 1.00 0.00 C ATOM 785 C ALA A 73 10.248 -2.516 4.685 1.00 0.00 C ATOM 786 O ALA A 73 10.784 -2.812 3.613 1.00 0.00 O ATOM 787 CB ALA A 73 11.840 -1.348 6.217 1.00 0.00 C ATOM 0 H ALA A 73 9.726 -0.810 7.226 1.00 0.00 H new ATOM 0 HA ALA A 73 10.779 -0.473 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.657 -1.706 5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.107 -0.381 6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.660 -2.062 7.021 1.00 0.00 H new ATOM 793 N PHE A 74 9.343 -3.274 5.279 1.00 0.00 N ATOM 794 CA PHE A 74 8.832 -4.517 4.699 1.00 0.00 C ATOM 795 C PHE A 74 8.076 -4.202 3.457 1.00 0.00 C ATOM 796 O PHE A 74 8.343 -4.720 2.411 1.00 0.00 O ATOM 797 CB PHE A 74 7.846 -5.171 5.660 1.00 0.00 C ATOM 798 CG PHE A 74 6.959 -6.175 5.118 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.391 -7.403 4.686 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.674 -5.875 5.057 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.481 -8.303 4.187 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.790 -6.708 4.587 1.00 0.00 C ATOM 803 CZ PHE A 74 5.157 -7.945 4.136 1.00 0.00 C ATOM 0 H PHE A 74 8.935 -3.047 6.186 1.00 0.00 H new ATOM 0 HA PHE A 74 9.675 -5.178 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.416 -5.626 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.235 -4.385 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.439 -7.660 4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.346 -4.908 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.802 -9.275 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.751 -6.417 4.553 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.418 -8.629 3.746 1.00 0.00 H new ATOM 813 N ILE A 75 7.172 -3.289 3.603 1.00 0.00 N ATOM 814 CA ILE A 75 6.214 -2.907 2.583 1.00 0.00 C ATOM 815 C ILE A 75 6.972 -2.403 1.452 1.00 0.00 C ATOM 816 O ILE A 75 6.752 -2.746 0.305 1.00 0.00 O ATOM 817 CB ILE A 75 5.325 -1.785 3.132 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.656 -2.240 4.411 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.319 -1.363 2.123 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.686 -3.331 4.230 1.00 0.00 C ATOM 0 H ILE A 75 7.065 -2.759 4.468 1.00 0.00 H new ATOM 0 HA ILE A 75 5.590 -3.752 2.291 1.00 0.00 H new ATOM 0 HB ILE A 75 5.949 -0.919 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.424 -2.564 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.148 -1.389 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.701 -0.566 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.829 -1.000 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.688 -2.212 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.253 -3.597 5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.895 -3.006 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.190 -4.200 3.807 1.00 0.00 H new ATOM 832 N LEU A 76 7.935 -1.692 1.830 1.00 0.00 N ATOM 833 CA LEU A 76 8.831 -1.073 1.002 1.00 0.00 C ATOM 834 C LEU A 76 9.558 -2.053 0.097 1.00 0.00 C ATOM 835 O LEU A 76 9.660 -1.838 -1.086 1.00 0.00 O ATOM 836 CB LEU A 76 9.809 -0.375 1.868 1.00 0.00 C ATOM 837 CG LEU A 76 10.064 1.007 1.441 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.899 1.805 1.852 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.330 1.597 1.940 1.00 0.00 C ATOM 0 H LEU A 76 8.126 -1.518 2.817 1.00 0.00 H new ATOM 0 HA LEU A 76 8.298 -0.383 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.441 -0.371 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.748 -0.929 1.868 1.00 0.00 H new ATOM 0 HG LEU A 76 10.198 1.008 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.046 2.843 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.002 1.413 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.785 1.751 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.426 2.618 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.323 1.605 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.173 1.002 1.587 1.00 0.00 H new ATOM 851 N ASP A 77 10.049 -3.106 0.647 1.00 0.00 N ATOM 852 CA ASP A 77 10.828 -4.078 -0.145 1.00 0.00 C ATOM 853 C ASP A 77 9.928 -5.051 -0.807 1.00 0.00 C ATOM 854 O ASP A 77 10.099 -5.377 -1.963 1.00 0.00 O ATOM 855 CB ASP A 77 11.843 -4.860 0.741 1.00 0.00 C ATOM 856 CG ASP A 77 11.285 -6.024 1.570 1.00 0.00 C ATOM 857 OD1 ASP A 77 11.263 -7.158 1.073 1.00 0.00 O ATOM 858 OD2 ASP A 77 10.935 -5.835 2.735 1.00 0.00 O ATOM 0 H ASP A 77 9.944 -3.344 1.633 1.00 0.00 H new ATOM 0 HA ASP A 77 11.378 -3.509 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.629 -5.250 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.314 -4.152 1.423 1.00 0.00 H new ATOM 863 N THR A 78 8.922 -5.382 -0.119 1.00 0.00 N ATOM 864 CA THR A 78 8.078 -6.486 -0.429 1.00 0.00 C ATOM 865 C THR A 78 7.237 -6.192 -1.600 1.00 0.00 C ATOM 866 O THR A 78 6.912 -7.086 -2.414 1.00 0.00 O ATOM 867 CB THR A 78 7.275 -6.838 0.808 1.00 0.00 C ATOM 868 OG1 THR A 78 8.170 -7.432 1.740 1.00 0.00 O ATOM 869 CG2 THR A 78 6.139 -7.754 0.523 1.00 0.00 C ATOM 0 H THR A 78 8.636 -4.877 0.720 1.00 0.00 H new ATOM 0 HA THR A 78 8.673 -7.356 -0.707 1.00 0.00 H new ATOM 0 HB THR A 78 6.827 -5.928 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.692 -7.628 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.603 -7.968 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.461 -7.282 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.519 -8.684 0.100 1.00 0.00 H new ATOM 877 N LEU A 79 6.972 -4.940 -1.726 1.00 0.00 N ATOM 878 CA LEU A 79 6.234 -4.428 -2.759 1.00 0.00 C ATOM 879 C LEU A 79 6.893 -4.782 -4.091 1.00 0.00 C ATOM 880 O LEU A 79 6.312 -5.434 -4.930 1.00 0.00 O ATOM 881 CB LEU A 79 6.199 -2.951 -2.606 1.00 0.00 C ATOM 882 CG LEU A 79 4.874 -2.295 -2.802 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.088 -2.965 -3.899 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.103 -2.271 -1.477 1.00 0.00 C ATOM 0 H LEU A 79 7.293 -4.234 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 79 5.226 -4.842 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.559 -2.702 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.903 -2.517 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 79 5.035 -1.265 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.127 -2.463 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.645 -2.906 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.922 -4.011 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.136 -1.791 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.950 -3.292 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.674 -1.714 -0.734 1.00 0.00 H new ATOM 896 N LYS A 80 8.115 -4.341 -4.228 1.00 0.00 N ATOM 897 CA LYS A 80 8.946 -4.591 -5.408 1.00 0.00 C ATOM 898 C LYS A 80 9.451 -6.026 -5.505 1.00 0.00 C ATOM 899 O LYS A 80 9.801 -6.506 -6.587 1.00 0.00 O ATOM 900 CB LYS A 80 10.125 -3.664 -5.349 1.00 0.00 C ATOM 901 CG LYS A 80 9.698 -2.245 -5.354 1.00 0.00 C ATOM 902 CD LYS A 80 9.948 -1.648 -4.030 1.00 0.00 C ATOM 903 CE LYS A 80 11.464 -1.472 -3.778 1.00 0.00 C ATOM 904 NZ LYS A 80 11.779 -0.804 -2.493 1.00 0.00 N ATOM 0 H LYS A 80 8.584 -3.784 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 80 8.327 -4.418 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.705 -3.868 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.780 -3.851 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.242 -1.694 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.639 -2.174 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.450 -0.681 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.518 -2.282 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.943 -2.451 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.894 -0.892 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.624 -1.241 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.959 0.206 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.975 -0.908 -1.841 1.00 0.00 H new ATOM 918 N LYS A 81 9.509 -6.677 -4.385 1.00 0.00 N ATOM 919 CA LYS A 81 10.069 -7.999 -4.272 1.00 0.00 C ATOM 920 C LYS A 81 9.156 -9.060 -4.850 1.00 0.00 C ATOM 921 O LYS A 81 9.559 -9.853 -5.694 1.00 0.00 O ATOM 922 CB LYS A 81 10.285 -8.248 -2.805 1.00 0.00 C ATOM 923 CG LYS A 81 10.985 -9.513 -2.441 1.00 0.00 C ATOM 924 CD LYS A 81 11.253 -9.531 -0.961 1.00 0.00 C ATOM 925 CE LYS A 81 10.026 -9.914 -0.209 1.00 0.00 C ATOM 926 NZ LYS A 81 10.145 -9.589 1.228 1.00 0.00 N ATOM 0 H LYS A 81 9.163 -6.301 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 81 10.999 -8.056 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.855 -7.413 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.313 -8.241 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.375 -10.372 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.922 -9.594 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.056 -10.235 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.593 -8.548 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.164 -9.396 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.845 -10.982 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.249 -9.184 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.358 -10.455 1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.911 -8.899 1.366 1.00 0.00 H new ATOM 940 N GLN A 82 7.942 -9.054 -4.413 1.00 0.00 N ATOM 941 CA GLN A 82 6.979 -10.042 -4.861 1.00 0.00 C ATOM 942 C GLN A 82 6.152 -9.506 -5.998 1.00 0.00 C ATOM 943 O GLN A 82 5.918 -10.186 -7.012 1.00 0.00 O ATOM 944 CB GLN A 82 6.036 -10.352 -3.736 1.00 0.00 C ATOM 945 CG GLN A 82 5.140 -11.548 -3.987 1.00 0.00 C ATOM 946 CD GLN A 82 5.914 -12.836 -3.951 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.367 -13.333 -4.979 1.00 0.00 O ATOM 948 NE2 GLN A 82 6.159 -13.327 -2.766 1.00 0.00 N ATOM 0 H GLN A 82 7.577 -8.378 -3.742 1.00 0.00 H new ATOM 0 HA GLN A 82 7.527 -10.927 -5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.615 -10.530 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.412 -9.478 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.351 -11.576 -3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.654 -11.442 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.762 -12.883 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.747 -14.155 -2.669 1.00 0.00 H new ATOM 957 N TRP A 83 5.737 -8.291 -5.848 1.00 0.00 N ATOM 958 CA TRP A 83 4.845 -7.694 -6.775 1.00 0.00 C ATOM 959 C TRP A 83 5.643 -6.718 -7.644 1.00 0.00 C ATOM 960 O TRP A 83 6.870 -6.821 -7.715 1.00 0.00 O ATOM 961 CB TRP A 83 3.687 -7.004 -6.004 1.00 0.00 C ATOM 962 CG TRP A 83 3.023 -7.888 -4.945 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.302 -9.046 -5.118 1.00 0.00 C ATOM 964 CD2 TRP A 83 3.013 -7.632 -3.551 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.871 -9.510 -3.878 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.296 -8.649 -2.917 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.551 -6.637 -2.799 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.109 -8.674 -1.537 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.379 -6.637 -1.436 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.661 -7.650 -0.803 1.00 0.00 C ATOM 0 H TRP A 83 6.011 -7.685 -5.074 1.00 0.00 H new ATOM 0 HA TRP A 83 4.390 -8.437 -7.430 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.072 -6.105 -5.522 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.930 -6.683 -6.719 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.101 -9.521 -6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.326 -10.357 -3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.114 -5.846 -3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.552 -9.467 -1.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.807 -5.840 -0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.537 -7.631 0.270 1.00 0.00 H new ATOM 981 N LYS A 84 4.974 -5.815 -8.305 1.00 0.00 N ATOM 982 CA LYS A 84 5.635 -4.861 -9.189 1.00 0.00 C ATOM 983 C LYS A 84 6.432 -3.842 -8.399 1.00 0.00 C ATOM 984 O LYS A 84 7.666 -3.814 -8.440 1.00 0.00 O ATOM 985 CB LYS A 84 4.607 -4.147 -10.058 1.00 0.00 C ATOM 986 CG LYS A 84 3.699 -5.062 -10.858 1.00 0.00 C ATOM 987 CD LYS A 84 2.573 -4.279 -11.518 1.00 0.00 C ATOM 988 CE LYS A 84 3.086 -3.292 -12.558 1.00 0.00 C ATOM 989 NZ LYS A 84 1.997 -2.443 -13.076 1.00 0.00 N ATOM 0 H LYS A 84 3.961 -5.709 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 84 6.323 -5.418 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.990 -3.515 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.132 -3.487 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.281 -5.580 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.279 -5.826 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.879 -4.974 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.013 -3.740 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.860 -2.665 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.549 -3.836 -13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.381 -1.770 -13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.279 -3.040 -13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.562 -1.919 -12.290 1.00 0.00 H new ATOM 1003 N GLY A 85 5.721 -3.032 -7.692 1.00 0.00 N ATOM 1004 CA GLY A 85 6.278 -2.006 -6.937 1.00 0.00 C ATOM 1005 C GLY A 85 6.325 -0.726 -7.646 1.00 0.00 C ATOM 1006 O GLY A 85 7.071 -0.543 -8.602 1.00 0.00 O ATOM 0 H GLY A 85 4.704 -3.082 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.701 -1.885 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.289 -2.288 -6.643 1.00 0.00 H new ATOM 1010 N PRO A 86 5.523 0.152 -7.201 1.00 0.00 N ATOM 1011 CA PRO A 86 5.407 1.480 -7.717 1.00 0.00 C ATOM 1012 C PRO A 86 6.395 2.428 -7.028 1.00 0.00 C ATOM 1013 O PRO A 86 7.225 1.978 -6.235 1.00 0.00 O ATOM 1014 CB PRO A 86 3.974 1.782 -7.402 1.00 0.00 C ATOM 1015 CG PRO A 86 3.691 1.056 -6.136 1.00 0.00 C ATOM 1016 CD PRO A 86 4.645 -0.053 -6.057 1.00 0.00 C ATOM 0 HA PRO A 86 5.646 1.593 -8.774 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.814 2.854 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.316 1.447 -8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.799 1.720 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.666 0.685 -6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.201 -0.035 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.140 -1.018 -6.110 1.00 0.00 H new ATOM 1024 N ASP A 87 6.373 3.691 -7.386 1.00 0.00 N ATOM 1025 CA ASP A 87 7.286 4.680 -6.778 1.00 0.00 C ATOM 1026 C ASP A 87 6.918 4.883 -5.325 1.00 0.00 C ATOM 1027 O ASP A 87 7.792 4.938 -4.439 1.00 0.00 O ATOM 1028 CB ASP A 87 7.276 6.017 -7.525 1.00 0.00 C ATOM 1029 CG ASP A 87 7.903 5.955 -8.908 1.00 0.00 C ATOM 1030 OD1 ASP A 87 7.288 5.381 -9.839 1.00 0.00 O ATOM 1031 OD2 ASP A 87 9.036 6.475 -9.091 1.00 0.00 O ATOM 0 H ASP A 87 5.743 4.074 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 87 8.300 4.286 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.246 6.362 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.807 6.759 -6.929 1.00 0.00 H new ATOM 1036 N ASP A 88 5.635 4.993 -5.074 1.00 0.00 N ATOM 1037 CA ASP A 88 5.120 5.023 -3.725 1.00 0.00 C ATOM 1038 C ASP A 88 3.873 4.218 -3.734 1.00 0.00 C ATOM 1039 O ASP A 88 3.178 4.152 -4.743 1.00 0.00 O ATOM 1040 CB ASP A 88 4.765 6.428 -3.169 1.00 0.00 C ATOM 1041 CG ASP A 88 5.670 7.563 -3.565 1.00 0.00 C ATOM 1042 OD1 ASP A 88 6.723 7.756 -2.949 1.00 0.00 O ATOM 1043 OD2 ASP A 88 5.291 8.346 -4.478 1.00 0.00 O ATOM 0 H ASP A 88 4.920 5.064 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 88 5.911 4.643 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.752 6.674 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.750 6.369 -2.081 1.00 0.00 H new ATOM 1048 N ILE A 89 3.606 3.582 -2.663 1.00 0.00 N ATOM 1049 CA ILE A 89 2.398 2.801 -2.511 1.00 0.00 C ATOM 1050 C ILE A 89 1.463 3.542 -1.638 1.00 0.00 C ATOM 1051 O ILE A 89 1.914 4.295 -0.775 1.00 0.00 O ATOM 1052 CB ILE A 89 2.658 1.461 -1.862 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.227 1.637 -0.456 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.581 0.705 -2.731 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.729 1.653 -0.318 1.00 0.00 C ATOM 0 H ILE A 89 4.213 3.575 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 89 1.990 2.633 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 89 1.725 0.908 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.840 2.571 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.839 0.833 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.786 -0.268 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.126 0.566 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.514 1.258 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.997 1.784 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.138 0.710 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.139 2.476 -0.903 1.00 0.00 H new ATOM 1067 N LEU A 90 0.184 3.366 -1.807 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.693 4.081 -0.978 1.00 0.00 C ATOM 1069 C LEU A 90 -0.673 3.462 0.382 1.00 0.00 C ATOM 1070 O LEU A 90 -0.667 2.235 0.516 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.120 4.172 -1.555 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.801 5.533 -1.599 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.083 5.403 -2.321 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.082 6.062 -0.236 1.00 0.00 C ATOM 0 H LEU A 90 -0.249 2.749 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.350 5.114 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.091 3.783 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.755 3.502 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.127 6.226 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.579 6.373 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.895 5.052 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.722 4.688 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.568 7.034 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.738 5.371 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.146 6.168 0.313 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.616 4.301 1.370 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.655 3.852 2.701 1.00 0.00 C ATOM 1088 C LEU A 91 -2.066 3.712 3.018 1.00 0.00 C ATOM 1089 O LEU A 91 -2.919 4.382 2.436 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.101 4.865 3.671 1.00 0.00 C ATOM 1091 CG LEU A 91 1.116 4.505 4.554 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.094 3.636 3.843 1.00 0.00 C ATOM 1093 CD2 LEU A 91 1.806 5.766 5.028 1.00 0.00 C ATOM 0 H LEU A 91 -0.541 5.313 1.262 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.067 2.938 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.167 5.752 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.913 5.152 4.339 1.00 0.00 H new ATOM 0 HG LEU A 91 0.738 3.944 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.930 3.411 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.607 2.707 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.462 4.152 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.662 5.501 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.147 6.340 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.107 6.366 5.610 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.314 2.960 3.967 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.664 2.694 4.318 1.00 0.00 C ATOM 1107 C GLY A 92 -4.068 3.626 5.377 1.00 0.00 C ATOM 1108 O GLY A 92 -4.529 3.233 6.446 1.00 0.00 O ATOM 0 H GLY A 92 -1.613 2.495 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.310 2.808 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.769 1.665 4.660 1.00 0.00 H new ATOM 1112 N MET A 93 -3.897 4.861 5.070 1.00 0.00 N ATOM 1113 CA MET A 93 -4.016 5.885 5.954 1.00 0.00 C ATOM 1114 C MET A 93 -4.940 6.885 5.425 1.00 0.00 C ATOM 1115 O MET A 93 -4.792 7.330 4.288 1.00 0.00 O ATOM 1116 CB MET A 93 -2.676 6.468 6.199 1.00 0.00 C ATOM 1117 CG MET A 93 -2.676 7.814 6.802 1.00 0.00 C ATOM 1118 SD MET A 93 -1.061 8.574 6.733 1.00 0.00 S ATOM 1119 CE MET A 93 -0.057 7.351 7.541 1.00 0.00 C ATOM 0 H MET A 93 -3.656 5.167 4.127 1.00 0.00 H new ATOM 0 HA MET A 93 -4.417 5.523 6.901 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.119 5.795 6.851 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.138 6.512 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.397 8.445 6.282 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.002 7.747 7.840 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.611 7.840 8.250 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.698 6.647 8.072 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.532 6.815 6.797 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.861 7.266 6.217 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.823 8.164 5.769 1.00 0.00 C ATOM 1131 C PHE A 94 -6.753 9.393 6.542 1.00 0.00 C ATOM 1132 O PHE A 94 -6.357 9.385 7.712 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.207 7.540 5.747 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.839 7.122 7.028 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.484 5.969 7.553 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.836 7.853 7.639 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.040 5.459 8.657 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.421 7.366 8.788 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.002 6.143 9.283 1.00 0.00 C ATOM 0 H PHE A 94 -5.963 6.963 7.186 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.611 8.425 4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.879 8.251 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.160 6.662 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.702 5.405 7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -10.155 8.797 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.714 4.503 9.039 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.192 7.928 9.293 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.454 5.741 10.178 1.00 0.00 H new ATOM 1149 N TYR A 95 -7.092 10.437 5.920 1.00 0.00 N ATOM 1150 CA TYR A 95 -7.026 11.692 6.553 1.00 0.00 C ATOM 1151 C TYR A 95 -8.380 12.070 7.021 1.00 0.00 C ATOM 1152 O TYR A 95 -9.235 12.511 6.247 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.386 12.793 5.684 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.311 14.116 6.403 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.716 14.197 7.631 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.868 15.256 5.873 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.663 15.358 8.339 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.814 16.447 6.562 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.211 16.493 7.801 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.183 17.673 8.506 1.00 0.00 O ATOM 0 H TYR A 95 -7.425 10.456 4.956 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.357 11.597 7.408 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.383 12.484 5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.964 12.912 4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.272 13.308 8.054 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.352 15.217 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.195 15.385 9.312 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.242 17.341 6.134 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.613 18.379 7.980 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.601 11.843 8.271 1.00 0.00 N ATOM 1171 CA ASP A 96 -9.825 12.202 8.867 1.00 0.00 C ATOM 1172 C ASP A 96 -9.751 13.657 9.133 1.00 0.00 C ATOM 1173 O ASP A 96 -8.958 14.069 9.947 1.00 0.00 O ATOM 1174 CB ASP A 96 -10.013 11.499 10.160 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.388 11.732 10.713 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -12.337 11.065 10.262 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -11.553 12.600 11.565 1.00 0.00 O ATOM 0 H ASP A 96 -7.932 11.402 8.902 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.654 11.937 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.851 10.430 10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.267 11.845 10.876 1.00 0.00 H new ATOM 1182 N THR A 97 -10.516 14.427 8.444 1.00 0.00 N ATOM 1183 CA THR A 97 -10.438 15.865 8.535 1.00 0.00 C ATOM 1184 C THR A 97 -11.070 16.413 9.807 1.00 0.00 C ATOM 1185 O THR A 97 -10.750 17.510 10.251 1.00 0.00 O ATOM 1186 CB THR A 97 -11.058 16.485 7.291 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.382 15.934 7.092 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.202 16.155 6.092 1.00 0.00 C ATOM 0 H THR A 97 -11.223 14.087 7.793 1.00 0.00 H new ATOM 0 HA THR A 97 -9.385 16.140 8.589 1.00 0.00 H new ATOM 0 HB THR A 97 -11.122 17.566 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.785 16.332 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.642 16.597 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.199 16.556 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.146 15.073 5.972 1.00 0.00 H new ATOM 1196 N ASP A 98 -11.931 15.621 10.396 1.00 0.00 N ATOM 1197 CA ASP A 98 -12.599 15.974 11.657 1.00 0.00 C ATOM 1198 C ASP A 98 -11.606 15.968 12.788 1.00 0.00 C ATOM 1199 O ASP A 98 -11.502 16.916 13.559 1.00 0.00 O ATOM 1200 CB ASP A 98 -13.704 14.975 11.955 1.00 0.00 C ATOM 1201 CG ASP A 98 -14.376 15.194 13.306 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -15.337 15.987 13.392 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -13.962 14.549 14.304 1.00 0.00 O ATOM 0 H ASP A 98 -12.199 14.709 10.027 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.027 16.972 11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.458 15.034 11.170 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.290 13.967 11.924 1.00 0.00 H new ATOM 1208 N ASP A 99 -10.858 14.901 12.850 1.00 0.00 N ATOM 1209 CA ASP A 99 -9.836 14.702 13.883 1.00 0.00 C ATOM 1210 C ASP A 99 -8.600 15.403 13.434 1.00 0.00 C ATOM 1211 O ASP A 99 -7.715 15.741 14.224 1.00 0.00 O ATOM 1212 CB ASP A 99 -9.527 13.218 13.986 1.00 0.00 C ATOM 1213 CG ASP A 99 -8.702 12.825 15.185 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -9.116 13.075 16.321 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -7.648 12.207 15.012 1.00 0.00 O ATOM 0 H ASP A 99 -10.928 14.129 12.187 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.181 15.082 14.845 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.467 12.667 14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.001 12.907 13.083 1.00 0.00 H new ATOM 1220 N ALA A 100 -8.567 15.605 12.129 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.488 16.199 11.412 1.00 0.00 C ATOM 1222 C ALA A 100 -6.249 15.360 11.577 1.00 0.00 C ATOM 1223 O ALA A 100 -5.142 15.872 11.763 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.271 17.646 11.805 1.00 0.00 C ATOM 0 H ALA A 100 -9.342 15.339 11.521 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.742 16.222 10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.439 18.057 11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.174 18.219 11.595 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.044 17.704 12.869 1.00 0.00 H new ATOM 1230 N SER A 101 -6.414 14.057 11.448 1.00 0.00 N ATOM 1231 CA SER A 101 -5.308 13.205 11.638 1.00 0.00 C ATOM 1232 C SER A 101 -5.326 12.124 10.653 1.00 0.00 C ATOM 1233 O SER A 101 -6.313 11.902 9.938 1.00 0.00 O ATOM 1234 CB SER A 101 -5.323 12.609 13.018 1.00 0.00 C ATOM 1235 OG SER A 101 -4.057 12.070 13.395 1.00 0.00 O ATOM 0 H SER A 101 -7.293 13.594 11.217 1.00 0.00 H new ATOM 0 HA SER A 101 -4.403 13.800 11.515 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.617 13.373 13.737 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.077 11.823 13.062 1.00 0.00 H new ATOM 0 HG SER A 101 -4.117 11.696 14.299 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.268 11.446 10.644 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.087 10.362 9.797 1.00 0.00 C ATOM 1243 C PHE A 102 -4.384 9.117 10.540 1.00 0.00 C ATOM 1244 O PHE A 102 -4.072 9.005 11.724 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.734 10.361 9.192 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.510 11.515 8.356 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.002 11.531 7.081 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.835 12.614 8.847 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.824 12.634 6.304 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.649 13.710 8.076 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.142 13.727 6.807 1.00 0.00 C ATOM 0 H PHE A 102 -3.471 11.637 11.251 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.780 10.434 8.958 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -1.984 10.336 9.983 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.603 9.455 8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.529 10.673 6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.452 12.599 9.857 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.214 12.656 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.114 14.564 8.464 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.999 14.601 6.188 1.00 0.00 H new ATOM 1261 N LYS A 103 -4.979 8.180 9.872 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.560 7.060 10.540 1.00 0.00 C ATOM 1263 C LYS A 103 -5.355 5.867 9.716 1.00 0.00 C ATOM 1264 O LYS A 103 -5.331 5.965 8.518 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.070 7.303 10.715 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.359 8.650 11.303 1.00 0.00 C ATOM 1267 CD LYS A 103 -8.714 8.853 11.804 1.00 0.00 C ATOM 1268 CE LYS A 103 -8.683 9.947 12.844 1.00 0.00 C ATOM 1269 NZ LYS A 103 -7.918 9.591 14.075 1.00 0.00 N ATOM 0 H LYS A 103 -5.075 8.169 8.857 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.097 6.924 11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.565 7.216 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.489 6.529 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.661 8.824 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.156 9.406 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.383 9.126 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.100 7.930 12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.245 10.842 12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.706 10.198 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.984 10.369 14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.316 8.726 14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.920 9.430 13.829 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.196 4.774 10.330 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.022 3.560 9.635 1.00 0.00 C ATOM 1285 C TRP A 104 -6.356 2.927 9.351 1.00 0.00 C ATOM 1286 O TRP A 104 -7.236 2.908 10.216 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.182 2.603 10.464 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.737 2.964 10.609 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.030 3.020 11.763 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.816 3.316 9.562 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.725 3.320 11.498 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.575 3.535 10.165 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.920 3.457 8.180 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.554 3.886 9.442 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.808 3.807 7.467 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.418 4.021 8.098 1.00 0.00 C ATOM 0 H TRP A 104 -5.181 4.686 11.346 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.515 3.770 8.693 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.621 2.532 11.459 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.246 1.611 10.016 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.439 2.852 12.748 1.00 0.00 H new ATOM 0 HE1 TRP A 104 0.021 3.374 12.192 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.863 3.293 7.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.505 4.046 9.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.879 3.920 6.395 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.276 4.300 7.505 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.509 2.381 8.151 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.691 1.604 7.827 1.00 0.00 C ATOM 1309 C PHE A 105 -7.676 0.294 8.619 1.00 0.00 C ATOM 1310 O PHE A 105 -8.664 -0.431 8.678 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.879 1.342 6.317 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.398 2.508 5.536 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.662 2.991 5.793 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.646 3.127 4.541 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.156 4.047 5.084 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.141 4.160 3.852 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.392 4.628 4.113 1.00 0.00 C ATOM 0 H PHE A 105 -5.832 2.463 7.393 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.553 2.205 8.118 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.922 1.037 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.565 0.504 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.266 2.531 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.651 2.768 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.148 4.422 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.544 4.627 3.083 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.782 5.463 3.550 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.523 0.017 9.240 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.342 -1.121 10.176 1.00 0.00 C ATOM 1329 C ASP A 106 -7.188 -0.881 11.436 1.00 0.00 C ATOM 1330 O ASP A 106 -7.444 -1.796 12.218 1.00 0.00 O ATOM 1331 CB ASP A 106 -4.859 -1.171 10.559 1.00 0.00 C ATOM 1332 CG ASP A 106 -4.407 -2.294 11.463 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -4.302 -3.442 11.008 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -4.033 -2.027 12.631 1.00 0.00 O ATOM 0 H ASP A 106 -5.678 0.574 9.112 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.653 -2.058 9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.276 -1.225 9.639 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.605 -0.228 11.043 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.643 0.374 11.588 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.507 0.848 12.686 1.00 0.00 C ATOM 1341 C ASN A 107 -7.779 0.901 14.005 1.00 0.00 C ATOM 1342 O ASN A 107 -8.389 0.989 15.069 1.00 0.00 O ATOM 1343 CB ASN A 107 -9.837 0.069 12.810 1.00 0.00 C ATOM 1344 CG ASN A 107 -10.732 0.227 11.594 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -10.722 -0.595 10.683 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -11.479 1.293 11.549 1.00 0.00 N ATOM 0 H ASN A 107 -7.412 1.115 10.926 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.776 1.868 12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.620 -0.989 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.372 0.413 13.695 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.077 1.463 10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.466 1.958 12.322 1.00 0.00 H new ATOM 1353 N SER A 108 -6.486 0.902 13.938 1.00 0.00 N ATOM 1354 CA SER A 108 -5.688 1.003 15.106 1.00 0.00 C ATOM 1355 C SER A 108 -4.863 2.263 14.990 1.00 0.00 C ATOM 1356 O SER A 108 -4.667 2.761 13.867 1.00 0.00 O ATOM 1357 CB SER A 108 -4.838 -0.264 15.288 1.00 0.00 C ATOM 1358 OG SER A 108 -4.101 -0.253 16.503 1.00 0.00 O ATOM 0 H SER A 108 -5.958 0.832 13.068 1.00 0.00 H new ATOM 0 HA SER A 108 -6.304 1.074 16.003 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.487 -1.139 15.268 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.149 -0.359 14.449 1.00 0.00 H new ATOM 0 HG SER A 108 -3.578 -1.078 16.576 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.417 2.804 16.114 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.694 4.005 16.143 1.00 0.00 C ATOM 1366 C ASN A 109 -2.385 3.901 15.432 1.00 0.00 C ATOM 1367 O ASN A 109 -1.768 2.820 15.333 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.434 4.492 17.559 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.681 3.575 18.452 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.831 2.353 18.415 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.813 4.163 19.238 1.00 0.00 N ATOM 0 H ASN A 109 -4.566 2.389 17.034 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.327 4.726 15.626 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.888 5.434 17.500 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -4.395 4.709 18.026 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.224 3.604 19.856 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.726 5.179 19.232 1.00 0.00 H new ATOM 1378 N MET A 110 -1.972 5.001 14.920 1.00 0.00 N ATOM 1379 CA MET A 110 -0.717 5.113 14.286 1.00 0.00 C ATOM 1380 C MET A 110 0.354 5.168 15.352 1.00 0.00 C ATOM 1381 O MET A 110 0.636 6.215 15.925 1.00 0.00 O ATOM 1382 CB MET A 110 -0.720 6.338 13.416 1.00 0.00 C ATOM 1383 CG MET A 110 0.495 6.527 12.540 1.00 0.00 C ATOM 1384 SD MET A 110 0.265 7.893 11.399 1.00 0.00 S ATOM 1385 CE MET A 110 -1.324 7.422 10.700 1.00 0.00 C ATOM 0 H MET A 110 -2.511 5.867 14.932 1.00 0.00 H new ATOM 0 HA MET A 110 -0.513 4.254 13.646 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.603 6.304 12.777 1.00 0.00 H new ATOM 0 HB3 MET A 110 -0.823 7.214 14.056 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.370 6.713 13.163 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.690 5.612 11.981 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.483 7.957 9.764 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.334 6.349 10.510 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.119 7.674 11.402 1.00 0.00 H new ATOM 1395 N THR A 111 0.858 4.011 15.684 1.00 0.00 N ATOM 1396 CA THR A 111 1.839 3.855 16.707 1.00 0.00 C ATOM 1397 C THR A 111 3.260 4.057 16.171 1.00 0.00 C ATOM 1398 O THR A 111 4.216 4.111 16.932 1.00 0.00 O ATOM 1399 CB THR A 111 1.698 2.458 17.315 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.567 1.475 16.271 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.487 2.409 18.204 1.00 0.00 C ATOM 0 H THR A 111 0.588 3.135 15.237 1.00 0.00 H new ATOM 0 HA THR A 111 1.672 4.618 17.468 1.00 0.00 H new ATOM 0 HB THR A 111 2.589 2.239 17.903 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.619 1.264 16.137 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.392 1.412 18.634 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.594 3.141 19.005 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.403 2.638 17.619 1.00 0.00 H new ATOM 1409 N PHE A 112 3.390 4.158 14.857 1.00 0.00 N ATOM 1410 CA PHE A 112 4.673 4.362 14.231 1.00 0.00 C ATOM 1411 C PHE A 112 4.486 5.257 13.057 1.00 0.00 C ATOM 1412 O PHE A 112 3.393 5.278 12.481 1.00 0.00 O ATOM 1413 CB PHE A 112 5.269 3.058 13.747 1.00 0.00 C ATOM 1414 CG PHE A 112 6.723 3.184 13.438 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.666 3.272 14.445 1.00 0.00 C ATOM 1416 CD2 PHE A 112 7.128 3.246 12.148 1.00 0.00 C ATOM 1417 CE1 PHE A 112 9.003 3.419 14.138 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.454 3.398 11.820 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.399 3.483 12.822 1.00 0.00 C ATOM 0 H PHE A 112 2.609 4.100 14.203 1.00 0.00 H new ATOM 0 HA PHE A 112 5.349 4.799 14.965 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.126 2.291 14.508 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.737 2.726 12.855 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.354 3.225 15.478 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.393 3.174 11.360 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.736 3.484 14.928 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.755 3.451 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.444 3.599 12.574 1.00 0.00 H new ATOM 1429 N ASP A 113 5.525 5.978 12.689 1.00 0.00 N ATOM 1430 CA ASP A 113 5.460 6.870 11.568 1.00 0.00 C ATOM 1431 C ASP A 113 6.799 7.131 10.985 1.00 0.00 C ATOM 1432 O ASP A 113 7.823 7.109 11.676 1.00 0.00 O ATOM 1433 CB ASP A 113 4.769 8.184 11.920 1.00 0.00 C ATOM 1434 CG ASP A 113 5.522 9.003 12.969 1.00 0.00 C ATOM 1435 OD1 ASP A 113 5.364 8.729 14.178 1.00 0.00 O ATOM 1436 OD2 ASP A 113 6.245 9.959 12.614 1.00 0.00 O ATOM 0 H ASP A 113 6.429 5.957 13.160 1.00 0.00 H new ATOM 0 HA ASP A 113 4.857 6.364 10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.657 8.781 11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.765 7.971 12.288 1.00 0.00 H new ATOM 1441 N LYS A 114 6.787 7.312 9.689 1.00 0.00 N ATOM 1442 CA LYS A 114 7.947 7.668 8.940 1.00 0.00 C ATOM 1443 C LYS A 114 7.599 8.878 8.076 1.00 0.00 C ATOM 1444 O LYS A 114 7.500 8.778 6.871 1.00 0.00 O ATOM 1445 CB LYS A 114 8.331 6.512 8.029 1.00 0.00 C ATOM 1446 CG LYS A 114 8.734 5.227 8.720 1.00 0.00 C ATOM 1447 CD LYS A 114 10.105 5.305 9.338 1.00 0.00 C ATOM 1448 CE LYS A 114 11.174 5.490 8.274 1.00 0.00 C ATOM 1449 NZ LYS A 114 11.198 4.441 7.282 1.00 0.00 N ATOM 0 H LYS A 114 5.947 7.212 9.120 1.00 0.00 H new ATOM 0 HA LYS A 114 8.775 7.896 9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.488 6.299 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.157 6.834 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.004 4.991 9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.711 4.409 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.143 6.135 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.305 4.395 9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.015 6.446 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.149 5.542 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.168 4.322 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.874 3.550 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.569 4.694 6.493 1.00 0.00 H new ATOM 1463 N TRP A 115 7.402 9.998 8.689 1.00 0.00 N ATOM 1464 CA TRP A 115 6.983 11.195 7.961 1.00 0.00 C ATOM 1465 C TRP A 115 8.151 12.019 7.451 1.00 0.00 C ATOM 1466 O TRP A 115 9.186 12.148 8.122 1.00 0.00 O ATOM 1467 CB TRP A 115 6.083 12.068 8.819 1.00 0.00 C ATOM 1468 CG TRP A 115 4.764 11.496 9.107 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.340 11.039 10.270 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.703 11.349 8.202 1.00 0.00 C ATOM 1471 NE1 TRP A 115 3.050 10.586 10.171 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.637 10.770 8.893 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.557 11.647 6.874 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.430 10.486 8.286 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.378 11.369 6.274 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.320 10.796 6.964 1.00 0.00 C ATOM 0 H TRP A 115 7.519 10.130 9.694 1.00 0.00 H new ATOM 0 HA TRP A 115 6.429 10.838 7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.589 12.270 9.763 1.00 0.00 H new ATOM 0 HB3 TRP A 115 5.946 13.027 8.319 1.00 0.00 H new ATOM 0 HD1 TRP A 115 4.928 11.024 11.175 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.497 10.181 10.927 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.367 12.095 6.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.613 10.040 8.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.256 11.600 5.226 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.395 10.592 6.445 1.00 0.00 H new ATOM 1487 N THR A 116 7.971 12.587 6.285 1.00 0.00 N ATOM 1488 CA THR A 116 8.953 13.442 5.675 1.00 0.00 C ATOM 1489 C THR A 116 8.358 14.844 5.569 1.00 0.00 C ATOM 1490 O THR A 116 7.145 15.008 5.739 1.00 0.00 O ATOM 1491 CB THR A 116 9.333 12.913 4.260 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.398 13.677 3.682 1.00 0.00 O ATOM 1493 CG2 THR A 116 8.135 12.873 3.305 1.00 0.00 C ATOM 0 H THR A 116 7.126 12.466 5.727 1.00 0.00 H new ATOM 0 HA THR A 116 9.859 13.459 6.280 1.00 0.00 H new ATOM 0 HB THR A 116 9.675 11.888 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.111 13.073 3.387 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.456 12.497 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.367 12.216 3.713 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.729 13.878 3.189 1.00 0.00 H new ATOM 1501 N ASP A 117 9.181 15.831 5.308 1.00 0.00 N ATOM 1502 CA ASP A 117 8.694 17.201 5.152 1.00 0.00 C ATOM 1503 C ASP A 117 8.157 17.355 3.757 1.00 0.00 C ATOM 1504 O ASP A 117 8.879 17.144 2.777 1.00 0.00 O ATOM 1505 CB ASP A 117 9.782 18.237 5.426 1.00 0.00 C ATOM 1506 CG ASP A 117 9.281 19.656 5.251 1.00 0.00 C ATOM 1507 OD1 ASP A 117 8.673 20.207 6.181 1.00 0.00 O ATOM 1508 OD2 ASP A 117 9.484 20.247 4.180 1.00 0.00 O ATOM 0 H ASP A 117 10.189 15.723 5.198 1.00 0.00 H new ATOM 0 HA ASP A 117 7.908 17.379 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.156 18.109 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.622 18.065 4.753 1.00 0.00 H new ATOM 1513 N GLN A 118 6.914 17.682 3.662 1.00 0.00 N ATOM 1514 CA GLN A 118 6.227 17.716 2.488 1.00 0.00 C ATOM 1515 C GLN A 118 5.599 19.078 2.356 1.00 0.00 C ATOM 1516 O GLN A 118 5.519 19.842 3.323 1.00 0.00 O ATOM 1517 CB GLN A 118 5.148 16.768 2.714 1.00 0.00 C ATOM 1518 CG GLN A 118 4.222 16.550 1.622 1.00 0.00 C ATOM 1519 CD GLN A 118 3.138 15.605 2.026 1.00 0.00 C ATOM 1520 OE1 GLN A 118 3.372 14.725 2.822 1.00 0.00 O ATOM 1521 NE2 GLN A 118 1.942 15.818 1.551 1.00 0.00 N ATOM 0 H GLN A 118 6.348 17.942 4.470 1.00 0.00 H new ATOM 0 HA GLN A 118 6.842 17.502 1.614 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.591 15.808 2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.577 17.105 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.786 17.500 1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.757 16.150 0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.786 16.571 0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.163 15.232 1.850 1.00 0.00 H new ATOM 1530 N ASP A 119 5.178 19.359 1.194 1.00 0.00 N ATOM 1531 CA ASP A 119 4.440 20.524 0.884 1.00 0.00 C ATOM 1532 C ASP A 119 2.954 20.222 1.109 1.00 0.00 C ATOM 1533 O ASP A 119 2.533 19.073 0.929 1.00 0.00 O ATOM 1534 CB ASP A 119 4.771 20.866 -0.527 1.00 0.00 C ATOM 1535 CG ASP A 119 4.074 20.051 -1.608 1.00 0.00 C ATOM 1536 OD1 ASP A 119 4.563 18.951 -1.968 1.00 0.00 O ATOM 1537 OD2 ASP A 119 3.057 20.512 -2.150 1.00 0.00 O ATOM 0 H ASP A 119 5.343 18.758 0.386 1.00 0.00 H new ATOM 0 HA ASP A 119 4.683 21.380 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 119 4.534 21.918 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 119 5.847 20.758 -0.660 1.00 0.00 H new ATOM 1542 N ASP A 120 2.180 21.238 1.480 1.00 0.00 N ATOM 1543 CA ASP A 120 0.766 21.075 1.914 1.00 0.00 C ATOM 1544 C ASP A 120 0.720 20.376 3.253 1.00 0.00 C ATOM 1545 O ASP A 120 0.499 19.173 3.350 1.00 0.00 O ATOM 1546 CB ASP A 120 -0.191 20.388 0.887 1.00 0.00 C ATOM 1547 CG ASP A 120 -0.698 21.300 -0.215 1.00 0.00 C ATOM 1548 OD1 ASP A 120 -0.012 21.460 -1.234 1.00 0.00 O ATOM 1549 OD2 ASP A 120 -1.811 21.867 -0.090 1.00 0.00 O ATOM 0 H ASP A 120 2.502 22.206 1.494 1.00 0.00 H new ATOM 0 HA ASP A 120 0.373 22.088 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 120 0.330 19.546 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -1.047 19.980 1.425 1.00 0.00 H new ATOM 1554 N ASP A 121 1.023 21.130 4.277 1.00 0.00 N ATOM 1555 CA ASP A 121 1.098 20.608 5.633 1.00 0.00 C ATOM 1556 C ASP A 121 -0.107 21.054 6.431 1.00 0.00 C ATOM 1557 O ASP A 121 -0.563 20.357 7.357 1.00 0.00 O ATOM 1558 CB ASP A 121 2.364 21.108 6.301 1.00 0.00 C ATOM 1559 CG ASP A 121 2.633 20.439 7.623 1.00 0.00 C ATOM 1560 OD1 ASP A 121 3.156 19.308 7.625 1.00 0.00 O ATOM 1561 OD2 ASP A 121 2.327 21.013 8.690 1.00 0.00 O ATOM 0 H ASP A 121 1.227 22.127 4.203 1.00 0.00 H new ATOM 0 HA ASP A 121 1.113 19.519 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 121 3.211 20.940 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.287 22.185 6.453 1.00 0.00 H new ATOM 1566 N GLU A 122 -0.611 22.234 6.091 1.00 0.00 N ATOM 1567 CA GLU A 122 -1.800 22.767 6.698 1.00 0.00 C ATOM 1568 C GLU A 122 -2.979 21.931 6.252 1.00 0.00 C ATOM 1569 O GLU A 122 -3.549 21.168 7.028 1.00 0.00 O ATOM 1570 CB GLU A 122 -1.998 24.217 6.283 1.00 0.00 C ATOM 1571 CG GLU A 122 -0.858 25.128 6.659 1.00 0.00 C ATOM 1572 CD GLU A 122 -0.595 25.143 8.147 1.00 0.00 C ATOM 1573 OE1 GLU A 122 -1.489 25.573 8.912 1.00 0.00 O ATOM 1574 OE2 GLU A 122 0.503 24.738 8.577 1.00 0.00 O ATOM 0 H GLU A 122 -0.197 22.841 5.384 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.710 22.734 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.140 24.258 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.914 24.592 6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.044 24.810 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.080 26.141 6.322 1.00 0.00 H new ATOM 1581 N ASP A 123 -3.336 22.082 5.014 1.00 0.00 N ATOM 1582 CA ASP A 123 -4.322 21.240 4.412 1.00 0.00 C ATOM 1583 C ASP A 123 -3.605 20.342 3.470 1.00 0.00 C ATOM 1584 O ASP A 123 -2.747 20.789 2.726 1.00 0.00 O ATOM 1585 CB ASP A 123 -5.426 22.015 3.680 1.00 0.00 C ATOM 1586 CG ASP A 123 -4.970 22.756 2.445 1.00 0.00 C ATOM 1587 OD1 ASP A 123 -4.279 23.794 2.568 1.00 0.00 O ATOM 1588 OD2 ASP A 123 -5.316 22.323 1.325 1.00 0.00 O ATOM 0 H ASP A 123 -2.951 22.793 4.392 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.836 20.684 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.214 21.317 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.868 22.731 4.373 1.00 0.00 H new ATOM 1593 N LEU A 124 -3.874 19.085 3.542 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.221 18.157 2.691 1.00 0.00 C ATOM 1595 C LEU A 124 -4.228 17.251 2.013 1.00 0.00 C ATOM 1596 O LEU A 124 -3.947 16.117 1.657 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.132 17.385 3.470 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.432 16.915 4.919 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.477 18.044 5.943 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.661 16.064 4.982 1.00 0.00 C ATOM 0 H LEU A 124 -4.548 18.675 4.188 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.710 18.696 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.873 16.503 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.244 18.016 3.506 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.579 16.300 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.692 17.632 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.514 18.554 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.258 18.754 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.837 15.755 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.517 16.635 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.525 15.181 4.357 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.376 17.800 1.765 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.478 17.058 1.200 1.00 0.00 C ATOM 1614 C VAL A 125 -6.304 16.908 -0.337 1.00 0.00 C ATOM 1615 O VAL A 125 -6.969 16.095 -0.985 1.00 0.00 O ATOM 1616 CB VAL A 125 -7.835 17.750 1.559 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.039 17.009 0.985 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -7.970 17.854 3.067 1.00 0.00 C ATOM 0 H VAL A 125 -5.584 18.782 1.947 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.488 16.056 1.629 1.00 0.00 H new ATOM 0 HB VAL A 125 -7.822 18.743 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -9.954 17.531 1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -8.959 16.971 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.065 15.994 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -8.916 18.336 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.946 16.856 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.146 18.445 3.466 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.376 17.664 -0.892 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.102 17.652 -2.350 1.00 0.00 C ATOM 1630 C ASP A 126 -4.232 16.458 -2.741 1.00 0.00 C ATOM 1631 O ASP A 126 -4.177 16.041 -3.908 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.419 18.968 -2.759 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.072 19.062 -4.235 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -4.922 19.493 -5.040 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -2.931 18.739 -4.612 1.00 0.00 O ATOM 0 H ASP A 126 -4.784 18.306 -0.365 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.051 17.558 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.074 19.799 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.506 19.086 -2.175 1.00 0.00 H new ATOM 1640 N THR A 127 -3.625 15.887 -1.759 1.00 0.00 N ATOM 1641 CA THR A 127 -2.701 14.800 -1.923 1.00 0.00 C ATOM 1642 C THR A 127 -3.188 13.636 -1.077 1.00 0.00 C ATOM 1643 O THR A 127 -4.210 13.763 -0.398 1.00 0.00 O ATOM 1644 CB THR A 127 -1.261 15.257 -1.495 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.302 14.173 -1.499 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.289 15.934 -0.143 1.00 0.00 C ATOM 0 H THR A 127 -3.757 16.166 -0.787 1.00 0.00 H new ATOM 0 HA THR A 127 -2.649 14.489 -2.966 1.00 0.00 H new ATOM 0 HB THR A 127 -0.930 15.975 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.576 14.512 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.280 16.241 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 127 -1.935 16.810 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.672 15.239 0.604 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.492 12.526 -1.116 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.851 11.376 -0.332 1.00 0.00 C ATOM 1656 C CYS A 128 -1.632 10.934 0.440 1.00 0.00 C ATOM 1657 O CYS A 128 -0.608 11.618 0.413 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.297 10.220 -1.184 1.00 0.00 C ATOM 1659 SG CYS A 128 -4.012 10.618 -2.799 1.00 0.00 S ATOM 0 H CYS A 128 -1.661 12.397 -1.693 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.677 11.660 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.439 9.567 -1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.033 9.647 -0.620 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.691 9.767 1.059 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.570 9.322 1.809 1.00 0.00 C ATOM 1666 C ALA A 129 0.018 8.140 1.138 1.00 0.00 C ATOM 1667 O ALA A 129 -0.622 7.116 1.005 1.00 0.00 O ATOM 1668 CB ALA A 129 -1.025 8.902 3.218 1.00 0.00 C ATOM 0 H ALA A 129 -2.492 9.136 1.048 1.00 0.00 H new ATOM 0 HA ALA A 129 0.161 10.127 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.163 8.561 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.482 9.754 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.752 8.094 3.140 1.00 0.00 H new ATOM 1674 N PHE A 130 1.243 8.241 0.752 1.00 0.00 N ATOM 1675 CA PHE A 130 1.884 7.133 0.173 1.00 0.00 C ATOM 1676 C PHE A 130 3.202 6.976 0.806 1.00 0.00 C ATOM 1677 O PHE A 130 3.895 7.964 1.071 1.00 0.00 O ATOM 1678 CB PHE A 130 2.132 7.252 -1.340 1.00 0.00 C ATOM 1679 CG PHE A 130 0.944 7.271 -2.308 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.146 8.101 -2.144 1.00 0.00 C ATOM 1681 CD2 PHE A 130 0.973 6.450 -3.427 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.176 8.102 -3.075 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.055 6.450 -4.344 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.127 7.277 -4.168 1.00 0.00 C ATOM 0 H PHE A 130 1.813 9.083 0.831 1.00 0.00 H new ATOM 0 HA PHE A 130 1.214 6.287 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.700 8.167 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.775 6.421 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.198 8.754 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.819 5.797 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.023 8.758 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -0.013 5.796 -5.202 1.00 0.00 H new ATOM 0 HZ PHE A 130 -1.933 7.281 -4.887 1.00 0.00 H new ATOM 1694 N LEU A 131 3.498 5.792 1.118 1.00 0.00 N ATOM 1695 CA LEU A 131 4.820 5.420 1.517 1.00 0.00 C ATOM 1696 C LEU A 131 5.739 5.305 0.303 1.00 0.00 C ATOM 1697 O LEU A 131 5.432 4.622 -0.664 1.00 0.00 O ATOM 1698 CB LEU A 131 4.744 4.134 2.252 1.00 0.00 C ATOM 1699 CG LEU A 131 6.003 3.389 2.494 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.947 4.158 3.329 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.710 2.062 3.101 1.00 0.00 C ATOM 0 H LEU A 131 2.831 5.021 1.111 1.00 0.00 H new ATOM 0 HA LEU A 131 5.240 6.187 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.282 4.331 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 131 4.069 3.477 1.704 1.00 0.00 H new ATOM 0 HG LEU A 131 6.487 3.232 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.856 3.576 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.196 5.094 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.488 4.373 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.644 1.526 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.192 2.202 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.079 1.484 2.425 1.00 0.00 H new ATOM 1713 N HIS A 132 6.842 5.995 0.371 1.00 0.00 N ATOM 1714 CA HIS A 132 7.833 6.020 -0.692 1.00 0.00 C ATOM 1715 C HIS A 132 8.609 4.737 -0.702 1.00 0.00 C ATOM 1716 O HIS A 132 9.297 4.442 0.232 1.00 0.00 O ATOM 1717 CB HIS A 132 8.795 7.182 -0.446 1.00 0.00 C ATOM 1718 CG HIS A 132 9.634 7.636 -1.605 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.520 8.666 -1.499 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.727 7.206 -2.876 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.122 8.857 -2.633 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.663 7.987 -3.495 1.00 0.00 N ATOM 0 H HIS A 132 7.091 6.569 1.176 1.00 0.00 H new ATOM 0 HA HIS A 132 7.329 6.142 -1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.212 8.034 -0.096 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.465 6.899 0.366 1.00 0.00 H new ATOM 0 HD1 HIS A 132 10.686 9.208 -0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 132 9.168 6.397 -3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.874 9.607 -2.831 1.00 0.00 H new ATOM 1731 N ILE A 133 8.547 4.052 -1.793 1.00 0.00 N ATOM 1732 CA ILE A 133 9.218 2.796 -2.013 1.00 0.00 C ATOM 1733 C ILE A 133 10.726 2.933 -1.954 1.00 0.00 C ATOM 1734 O ILE A 133 11.435 1.989 -1.593 1.00 0.00 O ATOM 1735 CB ILE A 133 8.769 2.196 -3.380 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.520 1.323 -3.238 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.881 1.515 -4.180 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.611 0.282 -2.179 1.00 0.00 C ATOM 0 H ILE A 133 8.004 4.359 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 133 8.934 2.118 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 133 8.497 3.057 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.666 1.966 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.323 0.836 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.473 1.129 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.667 2.238 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.296 0.692 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.683 -0.289 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.442 -0.388 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.775 0.759 -1.213 1.00 0.00 H new ATOM 1750 N LYS A 134 11.193 4.096 -2.284 1.00 0.00 N ATOM 1751 CA LYS A 134 12.620 4.323 -2.361 1.00 0.00 C ATOM 1752 C LYS A 134 13.235 4.587 -0.998 1.00 0.00 C ATOM 1753 O LYS A 134 14.255 4.001 -0.645 1.00 0.00 O ATOM 1754 CB LYS A 134 12.940 5.453 -3.329 1.00 0.00 C ATOM 1755 CG LYS A 134 12.556 5.152 -4.781 1.00 0.00 C ATOM 1756 CD LYS A 134 12.777 6.335 -5.708 1.00 0.00 C ATOM 1757 CE LYS A 134 14.219 6.737 -5.747 1.00 0.00 C ATOM 1758 NZ LYS A 134 14.432 8.006 -6.489 1.00 0.00 N ATOM 0 H LYS A 134 10.617 4.908 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 134 13.068 3.405 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.420 6.354 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.008 5.667 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.140 4.303 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.508 4.857 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.442 6.079 -6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.172 7.178 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.590 6.848 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.802 5.944 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.445 8.243 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.103 7.894 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.898 8.771 -6.029 1.00 0.00 H new ATOM 1772 N THR A 135 12.618 5.445 -0.228 1.00 0.00 N ATOM 1773 CA THR A 135 13.183 5.817 1.050 1.00 0.00 C ATOM 1774 C THR A 135 12.383 5.288 2.232 1.00 0.00 C ATOM 1775 O THR A 135 12.950 4.894 3.243 1.00 0.00 O ATOM 1776 CB THR A 135 13.296 7.331 1.139 1.00 0.00 C ATOM 1777 OG1 THR A 135 12.020 7.922 0.825 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.328 7.840 0.164 1.00 0.00 C ATOM 0 H THR A 135 11.733 5.897 -0.457 1.00 0.00 H new ATOM 0 HA THR A 135 14.170 5.359 1.107 1.00 0.00 H new ATOM 0 HB THR A 135 13.598 7.603 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 135 11.815 8.623 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.397 8.925 0.240 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.297 7.398 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 135 14.037 7.565 -0.850 1.00 0.00 H new ATOM 1786 N GLY A 136 11.078 5.256 2.092 1.00 0.00 N ATOM 1787 CA GLY A 136 10.235 4.828 3.179 1.00 0.00 C ATOM 1788 C GLY A 136 9.767 5.969 3.991 1.00 0.00 C ATOM 1789 O GLY A 136 9.770 5.919 5.217 1.00 0.00 O ATOM 0 H GLY A 136 10.581 5.520 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.376 4.288 2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.784 4.132 3.813 1.00 0.00 H new ATOM 1793 N GLU A 137 9.361 6.982 3.297 1.00 0.00 N ATOM 1794 CA GLU A 137 8.864 8.200 3.872 1.00 0.00 C ATOM 1795 C GLU A 137 7.440 8.346 3.469 1.00 0.00 C ATOM 1796 O GLU A 137 7.064 7.912 2.368 1.00 0.00 O ATOM 1797 CB GLU A 137 9.652 9.360 3.353 1.00 0.00 C ATOM 1798 CG GLU A 137 11.065 9.434 3.882 1.00 0.00 C ATOM 1799 CD GLU A 137 11.867 10.479 3.167 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.333 10.202 2.048 1.00 0.00 O ATOM 1801 OE2 GLU A 137 12.030 11.596 3.672 1.00 0.00 O ATOM 0 H GLU A 137 9.364 6.989 2.277 1.00 0.00 H new ATOM 0 HA GLU A 137 8.954 8.173 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.686 9.304 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.131 10.283 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 137 11.044 9.657 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.548 8.463 3.769 1.00 0.00 H new ATOM 1808 N TRP A 138 6.644 8.901 4.329 1.00 0.00 N ATOM 1809 CA TRP A 138 5.242 9.002 4.078 1.00 0.00 C ATOM 1810 C TRP A 138 4.852 10.379 3.671 1.00 0.00 C ATOM 1811 O TRP A 138 5.478 11.366 4.063 1.00 0.00 O ATOM 1812 CB TRP A 138 4.446 8.604 5.311 1.00 0.00 C ATOM 1813 CG TRP A 138 4.790 7.265 5.841 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.538 6.308 5.247 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.368 6.715 7.068 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.658 5.255 6.059 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.943 5.457 7.164 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.578 7.169 8.094 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.764 4.641 8.227 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.382 6.335 9.178 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.983 5.079 9.231 1.00 0.00 C ATOM 0 H TRP A 138 6.946 9.295 5.220 1.00 0.00 H new ATOM 0 HA TRP A 138 5.016 8.320 3.258 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.610 9.346 6.092 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.384 8.626 5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.974 6.384 4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 138 6.213 4.422 5.863 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.123 8.148 8.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.233 3.669 8.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.755 6.661 9.995 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.819 4.447 10.092 1.00 0.00 H new ATOM 1832 N LYS A 139 3.815 10.426 2.923 1.00 0.00 N ATOM 1833 CA LYS A 139 3.206 11.630 2.472 1.00 0.00 C ATOM 1834 C LYS A 139 1.890 11.759 3.096 1.00 0.00 C ATOM 1835 O LYS A 139 1.265 10.788 3.401 1.00 0.00 O ATOM 1836 CB LYS A 139 3.106 11.654 0.958 1.00 0.00 C ATOM 1837 CG LYS A 139 4.403 12.050 0.359 1.00 0.00 C ATOM 1838 CD LYS A 139 4.430 12.002 -1.154 1.00 0.00 C ATOM 1839 CE LYS A 139 4.324 10.596 -1.703 1.00 0.00 C ATOM 1840 NZ LYS A 139 4.491 10.588 -3.176 1.00 0.00 N ATOM 0 H LYS A 139 3.340 9.587 2.589 1.00 0.00 H new ATOM 0 HA LYS A 139 3.822 12.481 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.814 10.670 0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.328 12.352 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.646 13.062 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.184 11.395 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.609 12.602 -1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.355 12.456 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 139 5.084 9.964 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 139 3.355 10.171 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 4.448 9.609 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 3.731 11.146 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 5.412 11.004 -3.423 1.00 0.00 H new ATOM 1854 N LYS A 140 1.547 12.940 3.366 1.00 0.00 N ATOM 1855 CA LYS A 140 0.321 13.279 4.007 1.00 0.00 C ATOM 1856 C LYS A 140 -0.756 13.476 3.006 1.00 0.00 C ATOM 1857 O LYS A 140 -0.504 14.045 1.956 1.00 0.00 O ATOM 1858 CB LYS A 140 0.460 14.573 4.762 1.00 0.00 C ATOM 1859 CG LYS A 140 1.359 14.549 5.958 1.00 0.00 C ATOM 1860 CD LYS A 140 1.236 15.850 6.691 1.00 0.00 C ATOM 1861 CE LYS A 140 2.121 15.880 7.921 1.00 0.00 C ATOM 1862 NZ LYS A 140 2.025 17.161 8.647 1.00 0.00 N ATOM 0 H LYS A 140 2.126 13.750 3.144 1.00 0.00 H new ATOM 0 HA LYS A 140 0.075 12.460 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.827 15.333 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.532 14.889 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.090 13.721 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.392 14.388 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.507 16.670 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.198 16.007 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.841 15.065 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.156 15.709 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.142 16.992 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.771 17.805 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.094 17.590 8.472 1.00 0.00 H new ATOM 1876 N GLY A 141 -1.939 13.007 3.317 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.070 13.272 2.505 1.00 0.00 C ATOM 1878 C GLY A 141 -4.128 12.207 2.608 1.00 0.00 C ATOM 1879 O GLY A 141 -4.046 11.309 3.437 1.00 0.00 O ATOM 0 H GLY A 141 -2.131 12.435 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.499 14.232 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.752 13.362 1.466 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.086 12.310 1.733 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.185 11.384 1.597 1.00 0.00 C ATOM 1885 C ASN A 142 -6.407 11.122 0.124 1.00 0.00 C ATOM 1886 O ASN A 142 -6.442 12.052 -0.672 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.478 11.895 2.286 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.888 13.362 2.009 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -8.488 14.007 2.858 1.00 0.00 O ATOM 1890 ND2 ASN A 142 -7.592 13.891 0.854 1.00 0.00 N ATOM 0 H ASN A 142 -5.129 13.076 1.061 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.930 10.454 2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.302 11.250 1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.359 11.774 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -7.861 14.853 0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -7.091 13.342 0.155 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.523 9.889 -0.274 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.634 9.623 -1.680 1.00 0.00 C ATOM 1899 C CYS A 143 -8.012 9.696 -2.188 1.00 0.00 C ATOM 1900 O CYS A 143 -8.647 8.710 -2.484 1.00 0.00 O ATOM 1901 CB CYS A 143 -5.913 8.389 -2.146 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.649 8.797 -3.390 1.00 0.00 S ATOM 0 H CYS A 143 -6.543 9.071 0.335 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.096 10.452 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.444 7.895 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.629 7.684 -2.568 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.461 10.891 -2.255 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.764 11.229 -2.760 1.00 0.00 C ATOM 1909 C GLU A 144 -9.661 11.532 -4.262 1.00 0.00 C ATOM 1910 O GLU A 144 -10.487 12.238 -4.856 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.293 12.415 -1.970 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.360 12.182 -0.451 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.370 11.159 -0.039 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.597 11.459 -0.056 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -10.969 10.035 0.331 1.00 0.00 O ATOM 0 H GLU A 144 -7.922 11.702 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.462 10.400 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.659 13.280 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.291 12.663 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.377 11.871 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.592 13.126 0.042 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.667 10.940 -4.857 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.374 11.087 -6.256 1.00 0.00 C ATOM 1924 C VAL A 145 -8.515 9.750 -6.930 1.00 0.00 C ATOM 1925 O VAL A 145 -8.274 8.709 -6.326 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.948 11.656 -6.522 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.775 12.974 -5.823 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.835 10.680 -6.129 1.00 0.00 C ATOM 0 H VAL A 145 -8.018 10.323 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 145 -9.084 11.807 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.860 11.806 -7.598 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.774 13.360 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.516 13.682 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.909 12.837 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.865 11.131 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.909 10.453 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.938 9.760 -6.704 1.00 0.00 H new ATOM 1938 N SER A 146 -8.874 9.782 -8.163 1.00 0.00 N ATOM 1939 CA SER A 146 -9.108 8.593 -8.923 1.00 0.00 C ATOM 1940 C SER A 146 -7.839 7.981 -9.477 1.00 0.00 C ATOM 1941 O SER A 146 -7.862 6.885 -10.016 1.00 0.00 O ATOM 1942 CB SER A 146 -10.093 8.883 -10.004 1.00 0.00 C ATOM 1943 OG SER A 146 -11.298 9.360 -9.432 1.00 0.00 O ATOM 0 H SER A 146 -9.018 10.645 -8.687 1.00 0.00 H new ATOM 0 HA SER A 146 -9.520 7.843 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.686 9.625 -10.691 1.00 0.00 H new ATOM 0 HB3 SER A 146 -10.286 7.982 -10.585 1.00 0.00 H new ATOM 0 HG SER A 146 -11.376 9.032 -8.512 1.00 0.00 H new ATOM 1949 N SER A 147 -6.733 8.664 -9.292 1.00 0.00 N ATOM 1950 CA SER A 147 -5.461 8.254 -9.843 1.00 0.00 C ATOM 1951 C SER A 147 -4.780 7.106 -9.066 1.00 0.00 C ATOM 1952 O SER A 147 -3.574 6.906 -9.183 1.00 0.00 O ATOM 1953 CB SER A 147 -4.553 9.462 -9.949 1.00 0.00 C ATOM 1954 OG SER A 147 -5.196 10.519 -10.671 1.00 0.00 O ATOM 0 H SER A 147 -6.690 9.527 -8.750 1.00 0.00 H new ATOM 0 HA SER A 147 -5.656 7.843 -10.834 1.00 0.00 H new ATOM 0 HB2 SER A 147 -4.283 9.809 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.627 9.183 -10.451 1.00 0.00 H new ATOM 0 HG SER A 147 -4.594 11.290 -10.727 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.538 6.332 -8.317 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.934 5.225 -7.600 1.00 0.00 C ATOM 1962 C VAL A 148 -5.151 3.951 -8.366 1.00 0.00 C ATOM 1963 O VAL A 148 -6.278 3.613 -8.756 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.410 5.035 -6.152 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.455 4.109 -5.438 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.542 6.360 -5.446 1.00 0.00 C ATOM 0 H VAL A 148 -6.544 6.442 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.876 5.478 -7.525 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.402 4.583 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.785 3.969 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.434 3.145 -5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.455 4.544 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.880 6.195 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.575 6.863 -5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -6.266 6.982 -5.972 1.00 0.00 H new ATOM 1976 N GLU A 149 -4.080 3.296 -8.626 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.065 2.092 -9.410 1.00 0.00 C ATOM 1978 C GLU A 149 -3.490 0.934 -8.660 1.00 0.00 C ATOM 1979 O GLU A 149 -3.168 -0.080 -9.265 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.354 2.267 -10.728 1.00 0.00 C ATOM 1981 CG GLU A 149 -4.026 3.227 -11.669 1.00 0.00 C ATOM 1982 CD GLU A 149 -3.244 3.428 -12.930 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.255 4.159 -12.919 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -3.612 2.860 -13.968 1.00 0.00 O ATOM 0 H GLU A 149 -3.158 3.581 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.111 1.870 -9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.339 2.614 -10.537 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.272 1.296 -11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -5.020 2.854 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.160 4.187 -11.170 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.294 1.088 -7.387 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.778 0.010 -6.614 1.00 0.00 C ATOM 1993 C GLY A 150 -2.702 0.331 -5.163 1.00 0.00 C ATOM 1994 O GLY A 150 -2.336 1.440 -4.783 1.00 0.00 O ATOM 0 H GLY A 150 -3.483 1.945 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.408 -0.868 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.784 -0.249 -6.977 1.00 0.00 H new ATOM 1998 N THR A 151 -3.050 -0.619 -4.361 1.00 0.00 N ATOM 1999 CA THR A 151 -2.995 -0.474 -2.944 1.00 0.00 C ATOM 2000 C THR A 151 -2.458 -1.734 -2.324 1.00 0.00 C ATOM 2001 O THR A 151 -2.552 -2.831 -2.923 1.00 0.00 O ATOM 2002 CB THR A 151 -4.380 -0.129 -2.331 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.306 -0.156 -0.910 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.463 -1.083 -2.795 1.00 0.00 C ATOM 0 H THR A 151 -3.385 -1.530 -4.675 1.00 0.00 H new ATOM 0 HA THR A 151 -2.329 0.361 -2.726 1.00 0.00 H new ATOM 0 HB THR A 151 -4.644 0.872 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.437 -1.074 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.414 -0.803 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.551 -1.034 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.204 -2.099 -2.498 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.828 -1.584 -1.182 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.377 -2.705 -0.456 1.00 0.00 C ATOM 2014 C LEU A 152 -2.412 -3.030 0.558 1.00 0.00 C ATOM 2015 O LEU A 152 -2.961 -2.139 1.214 1.00 0.00 O ATOM 2016 CB LEU A 152 -0.061 -2.487 0.259 1.00 0.00 C ATOM 2017 CG LEU A 152 0.432 -3.780 0.903 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.083 -4.728 -0.030 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.248 -3.570 2.063 1.00 0.00 C ATOM 0 H LEU A 152 -1.624 -0.683 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.212 -3.510 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.684 -2.121 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.181 -1.719 1.023 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.492 -4.256 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.400 -5.616 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.377 -5.014 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.952 -4.252 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.561 -4.533 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.128 -2.988 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.676 -3.029 2.817 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.685 -4.252 0.685 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.659 -4.690 1.594 1.00 0.00 C ATOM 2033 C CYS A 153 -3.015 -5.417 2.703 1.00 0.00 C ATOM 2034 O CYS A 153 -2.014 -6.111 2.508 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.615 -5.585 0.891 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.185 -4.859 -0.660 1.00 0.00 S ATOM 0 H CYS A 153 -2.234 -4.997 0.154 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.194 -3.831 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.137 -6.544 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.470 -5.784 1.537 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.568 -5.250 3.837 1.00 0.00 N ATOM 2042 CA LYS A 154 -3.133 -5.880 5.010 1.00 0.00 C ATOM 2043 C LYS A 154 -4.346 -6.441 5.717 1.00 0.00 C ATOM 2044 O LYS A 154 -5.377 -5.778 5.814 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.408 -4.878 5.912 1.00 0.00 C ATOM 2046 CG LYS A 154 -2.057 -5.435 7.270 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.395 -4.400 8.159 1.00 0.00 C ATOM 2048 CE LYS A 154 -1.154 -4.953 9.557 1.00 0.00 C ATOM 2049 NZ LYS A 154 -2.420 -5.244 10.294 1.00 0.00 N ATOM 0 H LYS A 154 -4.374 -4.641 3.977 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.434 -6.682 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.495 -4.549 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -3.036 -3.996 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.961 -5.803 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.390 -6.288 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.447 -4.090 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -2.024 -3.512 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.564 -5.867 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.563 -4.237 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.202 -5.454 11.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -3.048 -4.417 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.892 -6.064 9.862 1.00 0.00 H new ATOM 2063 N THR A 155 -4.239 -7.633 6.144 1.00 0.00 N ATOM 2064 CA THR A 155 -5.249 -8.273 6.905 1.00 0.00 C ATOM 2065 C THR A 155 -4.492 -9.056 7.937 1.00 0.00 C ATOM 2066 O THR A 155 -3.434 -9.597 7.632 1.00 0.00 O ATOM 2067 CB THR A 155 -6.149 -9.215 6.027 1.00 0.00 C ATOM 2068 OG1 THR A 155 -7.336 -9.607 6.741 1.00 0.00 O ATOM 2069 CG2 THR A 155 -5.397 -10.467 5.587 1.00 0.00 C ATOM 0 H THR A 155 -3.421 -8.218 5.972 1.00 0.00 H new ATOM 0 HA THR A 155 -5.941 -7.554 7.343 1.00 0.00 H new ATOM 0 HB THR A 155 -6.428 -8.645 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 155 -8.097 -9.627 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 155 -6.054 -11.092 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 155 -4.526 -10.180 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 155 -5.073 -11.025 6.466 1.00 0.00 H new ATOM 2077 N ALA A 156 -4.936 -9.084 9.122 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.181 -9.775 10.106 1.00 0.00 C ATOM 2079 C ALA A 156 -4.639 -11.161 10.226 1.00 0.00 C ATOM 2080 O ALA A 156 -5.811 -11.457 9.986 1.00 0.00 O ATOM 2081 CB ALA A 156 -4.264 -9.121 11.440 1.00 0.00 C ATOM 0 H ALA A 156 -5.801 -8.650 9.444 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.142 -9.752 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -3.671 -9.685 12.159 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -3.879 -8.104 11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -5.303 -9.094 11.768 1.00 0.00 H new ATOM 2087 N ILE A 157 -3.742 -12.017 10.578 1.00 0.00 N ATOM 2088 CA ILE A 157 -4.107 -13.335 10.857 1.00 0.00 C ATOM 2089 C ILE A 157 -4.354 -13.530 12.354 1.00 0.00 C ATOM 2090 O ILE A 157 -3.445 -13.434 13.193 1.00 0.00 O ATOM 2091 CB ILE A 157 -3.138 -14.349 10.342 1.00 0.00 C ATOM 2092 CG1 ILE A 157 -1.753 -13.971 10.712 1.00 0.00 C ATOM 2093 CG2 ILE A 157 -3.299 -14.526 8.837 1.00 0.00 C ATOM 2094 CD1 ILE A 157 -0.832 -15.043 10.466 1.00 0.00 C ATOM 0 H ILE A 157 -2.748 -11.812 10.676 1.00 0.00 H new ATOM 0 HA ILE A 157 -5.038 -13.507 10.317 1.00 0.00 H new ATOM 0 HB ILE A 157 -3.350 -15.312 10.806 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -1.450 -13.092 10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -1.719 -13.695 11.766 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -2.585 -15.268 8.480 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -4.312 -14.861 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -3.115 -13.575 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 157 0.173 -14.731 10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -1.121 -15.913 11.055 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -0.848 -15.300 9.407 1.00 0.00 H new ATOM 2106 N PRO A 158 -5.596 -13.808 12.693 1.00 0.00 N ATOM 2107 CA PRO A 158 -6.058 -14.011 14.065 1.00 0.00 C ATOM 2108 C PRO A 158 -5.693 -15.381 14.591 1.00 0.00 C ATOM 2109 O PRO A 158 -6.015 -15.753 15.715 1.00 0.00 O ATOM 2110 CB PRO A 158 -7.563 -13.836 13.977 1.00 0.00 C ATOM 2111 CG PRO A 158 -7.923 -14.002 12.539 1.00 0.00 C ATOM 2112 CD PRO A 158 -6.662 -13.920 11.729 1.00 0.00 C ATOM 0 HA PRO A 158 -5.593 -13.312 14.760 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -8.076 -14.574 14.594 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -7.862 -12.853 14.341 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -8.416 -14.961 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -8.624 -13.227 12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -6.537 -14.805 11.106 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -6.679 -13.059 11.060 1.00 0.00 H new ATOM 2120 N TYR A 159 -4.984 -16.080 13.771 1.00 0.00 N ATOM 2121 CA TYR A 159 -4.453 -17.393 14.073 1.00 0.00 C ATOM 2122 C TYR A 159 -3.410 -17.257 15.170 1.00 0.00 C ATOM 2123 O TYR A 159 -3.235 -18.140 16.005 1.00 0.00 O ATOM 2124 CB TYR A 159 -3.804 -18.011 12.826 1.00 0.00 C ATOM 2125 CG TYR A 159 -4.723 -18.313 11.688 1.00 0.00 C ATOM 2126 CD1 TYR A 159 -5.221 -17.297 10.938 1.00 0.00 C ATOM 2127 CD2 TYR A 159 -5.044 -19.614 11.328 1.00 0.00 C ATOM 2128 CE1 TYR A 159 -6.010 -17.516 9.872 1.00 0.00 C ATOM 2129 CE2 TYR A 159 -5.860 -19.860 10.243 1.00 0.00 C ATOM 2130 CZ TYR A 159 -6.340 -18.796 9.516 1.00 0.00 C ATOM 2131 OH TYR A 159 -7.138 -19.011 8.415 1.00 0.00 O ATOM 0 H TYR A 159 -4.742 -15.753 12.835 1.00 0.00 H new ATOM 0 HA TYR A 159 -5.265 -18.043 14.400 1.00 0.00 H new ATOM 0 HB2 TYR A 159 -3.029 -17.332 12.470 1.00 0.00 H new ATOM 0 HB3 TYR A 159 -3.307 -18.935 13.120 1.00 0.00 H new ATOM 0 HD1 TYR A 159 -4.975 -16.280 11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 159 -4.652 -20.441 11.902 1.00 0.00 H new ATOM 0 HE1 TYR A 159 -6.384 -16.682 9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 159 -6.118 -20.872 9.969 1.00 0.00 H new ATOM 0 HH TYR A 159 -7.279 -19.974 8.296 1.00 0.00 H new ATOM 2141 N LYS A 160 -2.748 -16.109 15.163 1.00 0.00 N ATOM 2142 CA LYS A 160 -1.721 -15.780 16.126 1.00 0.00 C ATOM 2143 C LYS A 160 -2.263 -14.745 17.115 1.00 0.00 C ATOM 2144 O LYS A 160 -1.508 -13.964 17.690 1.00 0.00 O ATOM 2145 CB LYS A 160 -0.491 -15.197 15.406 1.00 0.00 C ATOM 2146 CG LYS A 160 0.140 -16.111 14.381 1.00 0.00 C ATOM 2147 CD LYS A 160 1.381 -15.478 13.763 1.00 0.00 C ATOM 2148 CE LYS A 160 1.994 -16.348 12.665 1.00 0.00 C ATOM 2149 NZ LYS A 160 2.419 -17.678 13.155 1.00 0.00 N ATOM 0 H LYS A 160 -2.916 -15.373 14.477 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.430 -16.685 16.659 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.783 -14.269 14.913 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.260 -14.939 16.153 1.00 0.00 H new ATOM 0 HG2 LYS A 160 0.408 -17.058 14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -0.584 -16.337 13.598 1.00 0.00 H new ATOM 0 HD2 LYS A 160 1.121 -14.504 13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.123 -15.304 14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 160 1.268 -16.477 11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 160 2.854 -15.832 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 2.903 -18.191 12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.069 -17.561 13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 1.585 -18.218 13.461 1.00 0.00 H new ATOM 2163 N ARG A 161 -3.562 -14.730 17.305 1.00 0.00 N ATOM 2164 CA ARG A 161 -4.175 -13.803 18.231 1.00 0.00 C ATOM 2165 C ARG A 161 -4.831 -14.600 19.329 1.00 0.00 C ATOM 2166 O ARG A 161 -4.168 -14.876 20.334 1.00 0.00 O ATOM 2167 CB ARG A 161 -5.188 -12.880 17.518 1.00 0.00 C ATOM 2168 CG ARG A 161 -5.792 -11.787 18.408 1.00 0.00 C ATOM 2169 CD ARG A 161 -6.665 -10.840 17.594 1.00 0.00 C ATOM 2170 NE ARG A 161 -7.174 -9.698 18.383 1.00 0.00 N ATOM 2171 CZ ARG A 161 -7.465 -8.476 17.876 1.00 0.00 C ATOM 2172 NH1 ARG A 161 -7.253 -8.205 16.592 1.00 0.00 N ATOM 2173 NH2 ARG A 161 -7.952 -7.531 18.662 1.00 0.00 N ATOM 2174 OXT ARG A 161 -5.981 -15.027 19.158 1.00 0.00 O ATOM 0 H ARG A 161 -4.217 -15.351 16.830 1.00 0.00 H new ATOM 0 HA ARG A 161 -3.413 -13.150 18.657 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -4.694 -12.407 16.669 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -5.996 -13.491 17.116 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -6.386 -12.244 19.200 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -4.993 -11.225 18.893 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -6.090 -10.462 16.748 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -7.509 -11.395 17.184 1.00 0.00 H new ATOM 0 HE ARG A 161 -7.317 -9.841 19.383 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -6.867 -8.921 15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -7.476 -7.281 16.222 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -8.109 -7.722 19.652 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -8.171 -6.611 18.279 1.00 0.00 H new TER 2188 ARG A 161