USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1101 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 36 MET CE :methyl 140:sc= -2.19 (180deg=-5.43!) USER MOD Set 1.2: A 72 MET CE :methyl 142:sc= -0.218 (180deg=-0.351) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.79! X(o=-1.9!,f=-1.4) USER MOD Set 2.2: A 76 MET CE :methyl 176:sc= -0.0706 (180deg=-0.0553) USER MOD Set 3.1: A 26 THR OG1 : rot -150:sc= 1.09 USER MOD Set 3.2: A 62 THR OG1 : rot 134:sc= 1.21 USER MOD Set 4.1: A 5 THR OG1 : rot 3:sc= -0.287 USER MOD Set 4.2: A 8 GLN :FLIP amide:sc= -0.23 F(o=-1.9,f=-0.52) USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0181 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 107:sc= 0.511 USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= 1.1 (180deg=0.519) USER MOD Single : A 28 THR OG1 : rot -111:sc= 0.321 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.112 USER MOD Single : A 38 SER OG : rot 90:sc= 1.16 USER MOD Single : A 42 ASN : amide:sc= -3.72! C(o=-3.7!,f=-6.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 1.22 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -121:sc= -2.08 (180deg=-4.14!) USER MOD Single : A 53 ASN : amide:sc= -0.0031 X(o=-0.0031,f=-0.035) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 70 THR OG1 : rot 12:sc= 0.674 USER MOD Single : A 71 MET CE :methyl -155:sc= -1.14 (180deg=-2.3) USER MOD Single : A 75 LYS NZ :NH3+ -129:sc= -3.47! (180deg=-9.85!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -92:sc= 0.586 USER MOD Single : A 94 LYS NZ :NH3+ -161:sc=-0.00314 (180deg=-0.12) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= 0.171 F(o=-0.65,f=0.17) USER MOD Single : A 109 MET CE :methyl -110:sc= -2.6! (180deg=-5.32!) USER MOD Single : A 110 THR OG1 : rot 131:sc= 0.851 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -107:sc= -6.48! (180deg=-10.1!) USER MOD Single : A 135 GLN : amide:sc= -0.0967 K(o=-0.097,f=-2.3) USER MOD Single : A 137 ASN : amide:sc= -0.864 X(o=-0.86,f=-0.89) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -2.17! C(o=-2.2!,f=-6.9!) USER MOD Single : A 144 MET CE :methyl -139:sc= -2.12 (180deg=-5.55!) USER MOD Single : A 145 MET CE :methyl 162:sc= -1.67 (180deg=-2.56!) USER MOD Single : A 146 THR OG1 : rot 68:sc= 1.19 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.482 0.567 -9.765 1.00 7.58 N ATOM 2 CA ALA A 1 -6.514 1.474 -10.941 1.00 7.12 C ATOM 3 C ALA A 1 -5.319 1.226 -11.856 1.00 6.58 C ATOM 4 O ALA A 1 -4.220 0.922 -11.383 1.00 7.05 O ATOM 5 CB ALA A 1 -6.537 2.926 -10.487 1.00 7.53 C ATOM 0 H1 ALA A 1 -6.793 1.085 -8.919 1.00 7.58 H new ATOM 0 H2 ALA A 1 -7.118 -0.239 -9.931 1.00 7.58 H new ATOM 0 H3 ALA A 1 -5.513 0.219 -9.621 1.00 7.58 H new ATOM 0 HA ALA A 1 -7.423 1.265 -11.505 1.00 7.12 H new ATOM 0 HB1 ALA A 1 -6.560 3.580 -11.359 1.00 7.53 H new ATOM 0 HB2 ALA A 1 -7.423 3.103 -9.877 1.00 7.53 H new ATOM 0 HB3 ALA A 1 -5.644 3.138 -9.899 1.00 7.53 H new ATOM 13 N ASP A 2 -5.549 1.359 -13.166 1.00 5.87 N ATOM 14 CA ASP A 2 -4.501 1.153 -14.170 1.00 5.58 C ATOM 15 C ASP A 2 -3.903 2.485 -14.627 1.00 5.24 C ATOM 16 O ASP A 2 -2.684 2.599 -14.787 1.00 5.25 O ATOM 17 CB ASP A 2 -5.056 0.386 -15.376 1.00 5.55 C ATOM 18 CG ASP A 2 -5.368 -1.064 -15.054 1.00 5.97 C ATOM 19 OD1 ASP A 2 -4.470 -1.915 -15.219 1.00 6.14 O ATOM 20 OD2 ASP A 2 -6.511 -1.346 -14.635 1.00 6.37 O ATOM 0 H ASP A 2 -6.457 1.610 -13.557 1.00 5.87 H new ATOM 0 HA ASP A 2 -3.709 0.563 -13.708 1.00 5.58 H new ATOM 0 HB2 ASP A 2 -5.962 0.879 -15.729 1.00 5.55 H new ATOM 0 HB3 ASP A 2 -4.333 0.426 -16.191 1.00 5.55 H new ATOM 25 N GLN A 3 -4.771 3.487 -14.834 1.00 5.07 N ATOM 26 CA GLN A 3 -4.351 4.812 -15.268 1.00 4.79 C ATOM 27 C GLN A 3 -5.052 5.893 -14.477 1.00 4.43 C ATOM 28 O GLN A 3 -6.162 5.703 -13.970 1.00 4.50 O ATOM 29 CB GLN A 3 -4.582 5.005 -16.774 1.00 5.03 C ATOM 30 CG GLN A 3 -3.608 4.232 -17.651 1.00 5.41 C ATOM 31 CD GLN A 3 -3.855 4.451 -19.131 1.00 5.73 C ATOM 32 OE1 GLN A 3 -3.296 5.365 -19.737 1.00 6.18 O ATOM 33 NE2 GLN A 3 -4.698 3.611 -19.720 1.00 5.76 N ATOM 0 H GLN A 3 -5.778 3.394 -14.704 1.00 5.07 H new ATOM 0 HA GLN A 3 -3.281 4.894 -15.079 1.00 4.79 H new ATOM 0 HB2 GLN A 3 -5.599 4.697 -17.018 1.00 5.03 H new ATOM 0 HB3 GLN A 3 -4.505 6.066 -17.010 1.00 5.03 H new ATOM 0 HG2 GLN A 3 -2.589 4.533 -17.408 1.00 5.41 H new ATOM 0 HG3 GLN A 3 -3.688 3.168 -17.427 1.00 5.41 H new ATOM 0 HE21 GLN A 3 -5.139 2.867 -19.178 1.00 5.76 H new ATOM 0 HE22 GLN A 3 -4.905 3.709 -20.714 1.00 5.76 H new ATOM 42 N LEU A 4 -4.373 7.031 -14.390 1.00 4.12 N ATOM 43 CA LEU A 4 -4.844 8.171 -13.631 1.00 3.79 C ATOM 44 C LEU A 4 -4.793 9.451 -14.460 1.00 3.73 C ATOM 45 O LEU A 4 -3.923 9.607 -15.321 1.00 3.87 O ATOM 46 CB LEU A 4 -3.944 8.291 -12.393 1.00 3.47 C ATOM 47 CG LEU A 4 -4.620 8.559 -11.022 1.00 3.23 C ATOM 48 CD1 LEU A 4 -5.417 9.861 -11.024 1.00 3.44 C ATOM 49 CD2 LEU A 4 -5.503 7.388 -10.589 1.00 3.02 C ATOM 0 H LEU A 4 -3.475 7.184 -14.849 1.00 4.12 H new ATOM 0 HA LEU A 4 -5.886 8.028 -13.343 1.00 3.79 H new ATOM 0 HB2 LEU A 4 -3.370 7.368 -12.307 1.00 3.47 H new ATOM 0 HB3 LEU A 4 -3.231 9.094 -12.576 1.00 3.47 H new ATOM 0 HG LEU A 4 -3.816 8.663 -10.293 1.00 3.23 H new ATOM 0 HD11 LEU A 4 -5.873 10.010 -10.045 1.00 3.44 H new ATOM 0 HD12 LEU A 4 -4.751 10.695 -11.244 1.00 3.44 H new ATOM 0 HD13 LEU A 4 -6.197 9.809 -11.784 1.00 3.44 H new ATOM 0 HD21 LEU A 4 -5.959 7.613 -9.625 1.00 3.02 H new ATOM 0 HD22 LEU A 4 -6.285 7.228 -11.331 1.00 3.02 H new ATOM 0 HD23 LEU A 4 -4.896 6.487 -10.502 1.00 3.02 H new ATOM 61 N THR A 5 -5.734 10.360 -14.187 1.00 3.61 N ATOM 62 CA THR A 5 -5.812 11.640 -14.896 1.00 3.63 C ATOM 63 C THR A 5 -5.297 12.781 -14.020 1.00 3.38 C ATOM 64 O THR A 5 -5.234 12.653 -12.793 1.00 3.11 O ATOM 65 CB THR A 5 -7.253 11.959 -15.355 1.00 3.77 C ATOM 66 OG1 THR A 5 -8.172 11.768 -14.274 1.00 3.69 O ATOM 67 CG2 THR A 5 -7.661 11.086 -16.536 1.00 4.13 C ATOM 0 H THR A 5 -6.455 10.232 -13.477 1.00 3.61 H new ATOM 0 HA THR A 5 -5.182 11.547 -15.780 1.00 3.63 H new ATOM 0 HB THR A 5 -7.279 13.002 -15.672 1.00 3.77 H new ATOM 0 HG1 THR A 5 -7.678 11.524 -13.464 1.00 3.69 H new ATOM 0 HG21 THR A 5 -8.679 11.333 -16.837 1.00 4.13 H new ATOM 0 HG22 THR A 5 -6.983 11.263 -17.371 1.00 4.13 H new ATOM 0 HG23 THR A 5 -7.613 10.036 -16.246 1.00 4.13 H new ATOM 75 N GLU A 6 -4.935 13.897 -14.666 1.00 3.50 N ATOM 76 CA GLU A 6 -4.409 15.082 -13.971 1.00 3.37 C ATOM 77 C GLU A 6 -5.519 15.941 -13.349 1.00 3.33 C ATOM 78 O GLU A 6 -5.249 16.757 -12.463 1.00 3.18 O ATOM 79 CB GLU A 6 -3.580 15.938 -14.935 1.00 3.63 C ATOM 80 CG GLU A 6 -2.226 15.338 -15.285 1.00 3.53 C ATOM 81 CD GLU A 6 -1.434 16.205 -16.244 1.00 3.85 C ATOM 82 OE1 GLU A 6 -0.668 17.069 -15.768 1.00 3.72 O ATOM 83 OE2 GLU A 6 -1.580 16.021 -17.470 1.00 4.59 O ATOM 0 H GLU A 6 -4.997 14.005 -15.678 1.00 3.50 H new ATOM 0 HA GLU A 6 -3.780 14.718 -13.159 1.00 3.37 H new ATOM 0 HB2 GLU A 6 -4.148 16.087 -15.853 1.00 3.63 H new ATOM 0 HB3 GLU A 6 -3.427 16.922 -14.491 1.00 3.63 H new ATOM 0 HG2 GLU A 6 -1.650 15.194 -14.371 1.00 3.53 H new ATOM 0 HG3 GLU A 6 -2.373 14.353 -15.728 1.00 3.53 H new ATOM 90 N GLU A 7 -6.763 15.751 -13.818 1.00 3.51 N ATOM 91 CA GLU A 7 -7.920 16.512 -13.334 1.00 3.59 C ATOM 92 C GLU A 7 -8.326 16.147 -11.902 1.00 3.35 C ATOM 93 O GLU A 7 -9.030 16.928 -11.256 1.00 3.38 O ATOM 94 CB GLU A 7 -9.110 16.332 -14.290 1.00 3.93 C ATOM 95 CG GLU A 7 -10.029 17.548 -14.389 1.00 4.45 C ATOM 96 CD GLU A 7 -9.476 18.638 -15.292 1.00 5.14 C ATOM 97 OE1 GLU A 7 -9.772 18.611 -16.505 1.00 5.54 O ATOM 98 OE2 GLU A 7 -8.748 19.517 -14.784 1.00 5.58 O ATOM 0 H GLU A 7 -6.992 15.068 -14.540 1.00 3.51 H new ATOM 0 HA GLU A 7 -7.620 17.560 -13.313 1.00 3.59 H new ATOM 0 HB2 GLU A 7 -8.730 16.097 -15.284 1.00 3.93 H new ATOM 0 HB3 GLU A 7 -9.697 15.474 -13.963 1.00 3.93 H new ATOM 0 HG2 GLU A 7 -11.002 17.232 -14.765 1.00 4.45 H new ATOM 0 HG3 GLU A 7 -10.190 17.957 -13.392 1.00 4.45 H new ATOM 105 N GLN A 8 -7.905 14.970 -11.405 1.00 3.16 N ATOM 106 CA GLN A 8 -8.215 14.578 -10.027 1.00 2.96 C ATOM 107 C GLN A 8 -7.553 15.537 -9.068 1.00 2.69 C ATOM 108 O GLN A 8 -8.101 15.852 -8.014 1.00 2.63 O ATOM 109 CB GLN A 8 -7.807 13.128 -9.734 1.00 2.87 C ATOM 110 CG GLN A 8 -8.929 12.112 -9.927 1.00 3.23 C ATOM 111 CD GLN A 8 -9.104 11.686 -11.373 1.00 3.13 C ATOM 112 OE1 GLN A 8 -8.442 10.600 -11.752 1.00 3.27 O flip ATOM 113 NE2 GLN A 8 -9.833 12.320 -12.136 1.00 3.29 N flip ATOM 0 H GLN A 8 -7.359 14.287 -11.930 1.00 3.16 H new ATOM 0 HA GLN A 8 -9.296 14.628 -9.893 1.00 2.96 H new ATOM 0 HB2 GLN A 8 -6.973 12.859 -10.382 1.00 2.87 H new ATOM 0 HB3 GLN A 8 -7.447 13.064 -8.707 1.00 2.87 H new ATOM 0 HG2 GLN A 8 -8.723 11.232 -9.318 1.00 3.23 H new ATOM 0 HG3 GLN A 8 -9.864 12.539 -9.565 1.00 3.23 H new ATOM 0 HE21 GLN A 8 -10.323 13.150 -11.801 1.00 3.29 H new ATOM 0 HE22 GLN A 8 -9.947 12.016 -13.103 1.00 3.29 H new ATOM 122 N ILE A 9 -6.364 15.985 -9.456 1.00 2.59 N ATOM 123 CA ILE A 9 -5.626 16.999 -8.733 1.00 2.41 C ATOM 124 C ILE A 9 -6.489 18.256 -8.652 1.00 2.64 C ATOM 125 O ILE A 9 -6.592 18.874 -7.593 1.00 2.55 O ATOM 126 CB ILE A 9 -4.283 17.259 -9.448 1.00 2.42 C ATOM 127 CG1 ILE A 9 -3.332 16.109 -9.124 1.00 2.20 C ATOM 128 CG2 ILE A 9 -3.692 18.620 -9.097 1.00 2.45 C ATOM 129 CD1 ILE A 9 -3.393 14.993 -10.138 1.00 2.35 C ATOM 0 H ILE A 9 -5.886 15.647 -10.291 1.00 2.59 H new ATOM 0 HA ILE A 9 -5.397 16.674 -7.718 1.00 2.41 H new ATOM 0 HB ILE A 9 -4.450 17.293 -10.525 1.00 2.42 H new ATOM 0 HG12 ILE A 9 -2.312 16.491 -9.072 1.00 2.20 H new ATOM 0 HG13 ILE A 9 -3.574 15.711 -8.138 1.00 2.20 H new ATOM 0 HG21 ILE A 9 -2.748 18.754 -9.625 1.00 2.45 H new ATOM 0 HG22 ILE A 9 -4.388 19.406 -9.392 1.00 2.45 H new ATOM 0 HG23 ILE A 9 -3.517 18.675 -8.023 1.00 2.45 H new ATOM 0 HD11 ILE A 9 -2.695 14.205 -9.854 1.00 2.35 H new ATOM 0 HD12 ILE A 9 -4.404 14.588 -10.172 1.00 2.35 H new ATOM 0 HD13 ILE A 9 -3.123 15.379 -11.121 1.00 2.35 H new ATOM 141 N ALA A 10 -7.107 18.615 -9.798 1.00 2.97 N ATOM 142 CA ALA A 10 -8.047 19.742 -9.861 1.00 3.26 C ATOM 143 C ALA A 10 -9.181 19.551 -8.859 1.00 3.27 C ATOM 144 O ALA A 10 -9.762 20.527 -8.374 1.00 3.43 O ATOM 145 CB ALA A 10 -8.587 19.927 -11.271 1.00 3.61 C ATOM 0 H ALA A 10 -6.968 18.137 -10.689 1.00 2.97 H new ATOM 0 HA ALA A 10 -7.507 20.650 -9.593 1.00 3.26 H new ATOM 0 HB1 ALA A 10 -9.280 20.768 -11.288 1.00 3.61 H new ATOM 0 HB2 ALA A 10 -7.761 20.124 -11.954 1.00 3.61 H new ATOM 0 HB3 ALA A 10 -9.108 19.022 -11.583 1.00 3.61 H new ATOM 151 N GLU A 11 -9.486 18.280 -8.561 1.00 3.14 N ATOM 152 CA GLU A 11 -10.489 17.941 -7.553 1.00 3.18 C ATOM 153 C GLU A 11 -9.859 17.970 -6.176 1.00 2.87 C ATOM 154 O GLU A 11 -10.518 18.276 -5.178 1.00 2.94 O ATOM 155 CB GLU A 11 -11.063 16.557 -7.803 1.00 3.24 C ATOM 156 CG GLU A 11 -12.456 16.567 -8.409 1.00 3.63 C ATOM 157 CD GLU A 11 -12.994 15.174 -8.667 1.00 3.78 C ATOM 158 OE1 GLU A 11 -13.637 14.608 -7.758 1.00 4.13 O ATOM 159 OE2 GLU A 11 -12.772 14.648 -9.778 1.00 3.90 O ATOM 0 H GLU A 11 -9.050 17.473 -9.006 1.00 3.14 H new ATOM 0 HA GLU A 11 -11.293 18.674 -7.614 1.00 3.18 H new ATOM 0 HB2 GLU A 11 -10.393 16.011 -8.467 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -11.092 16.011 -6.860 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -13.135 17.095 -7.740 1.00 3.63 H new ATOM 0 HG3 GLU A 11 -12.436 17.123 -9.346 1.00 3.63 H new ATOM 166 N PHE A 12 -8.567 17.642 -6.150 1.00 2.56 N ATOM 167 CA PHE A 12 -7.786 17.628 -4.920 1.00 2.24 C ATOM 168 C PHE A 12 -7.557 19.047 -4.382 1.00 2.30 C ATOM 169 O PHE A 12 -7.589 19.253 -3.165 1.00 2.22 O ATOM 170 CB PHE A 12 -6.439 16.925 -5.145 1.00 1.94 C ATOM 171 CG PHE A 12 -6.510 15.415 -5.327 1.00 1.85 C ATOM 172 CD1 PHE A 12 -5.341 14.672 -5.454 1.00 2.28 C ATOM 173 CD2 PHE A 12 -7.725 14.727 -5.344 1.00 2.07 C ATOM 174 CE1 PHE A 12 -5.381 13.297 -5.587 1.00 2.34 C ATOM 175 CE2 PHE A 12 -7.756 13.361 -5.487 1.00 2.03 C ATOM 176 CZ PHE A 12 -6.601 12.645 -5.603 1.00 1.90 C ATOM 0 H PHE A 12 -8.036 17.380 -6.981 1.00 2.56 H new ATOM 0 HA PHE A 12 -8.357 17.073 -4.175 1.00 2.24 H new ATOM 0 HB2 PHE A 12 -5.966 17.358 -6.026 1.00 1.94 H new ATOM 0 HB3 PHE A 12 -5.790 17.141 -4.296 1.00 1.94 H new ATOM 0 HD1 PHE A 12 -4.387 15.178 -5.449 1.00 2.28 H new ATOM 0 HD2 PHE A 12 -8.650 15.275 -5.244 1.00 2.07 H new ATOM 0 HE1 PHE A 12 -4.464 12.734 -5.678 1.00 2.34 H new ATOM 0 HE2 PHE A 12 -8.706 12.848 -5.508 1.00 2.03 H new ATOM 0 HZ PHE A 12 -6.639 11.571 -5.707 1.00 1.90 H new ATOM 186 N LYS A 13 -7.324 20.031 -5.287 1.00 2.51 N ATOM 187 CA LYS A 13 -7.111 21.428 -4.860 1.00 2.67 C ATOM 188 C LYS A 13 -8.422 22.107 -4.483 1.00 2.96 C ATOM 189 O LYS A 13 -8.411 23.118 -3.783 1.00 3.07 O ATOM 190 CB LYS A 13 -6.346 22.273 -5.899 1.00 2.86 C ATOM 191 CG LYS A 13 -6.682 21.988 -7.366 1.00 3.04 C ATOM 192 CD LYS A 13 -5.445 21.552 -8.155 1.00 2.93 C ATOM 193 CE LYS A 13 -4.545 22.729 -8.534 1.00 3.15 C ATOM 194 NZ LYS A 13 -3.348 22.288 -9.301 1.00 3.58 N ATOM 0 H LYS A 13 -7.280 19.883 -6.295 1.00 2.51 H new ATOM 0 HA LYS A 13 -6.480 21.370 -3.973 1.00 2.67 H new ATOM 0 HB2 LYS A 13 -6.542 23.326 -5.699 1.00 2.86 H new ATOM 0 HB3 LYS A 13 -5.278 22.115 -5.753 1.00 2.86 H new ATOM 0 HG2 LYS A 13 -7.442 21.209 -7.421 1.00 3.04 H new ATOM 0 HG3 LYS A 13 -7.108 22.881 -7.822 1.00 3.04 H new ATOM 0 HD2 LYS A 13 -4.873 20.838 -7.562 1.00 2.93 H new ATOM 0 HD3 LYS A 13 -5.760 21.034 -9.061 1.00 2.93 H new ATOM 0 HE2 LYS A 13 -5.114 23.444 -9.128 1.00 3.15 H new ATOM 0 HE3 LYS A 13 -4.226 23.248 -7.630 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 -2.764 23.115 -9.539 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 -2.791 21.625 -8.725 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 -3.651 21.815 -10.176 1.00 3.58 H new ATOM 208 N GLU A 14 -9.550 21.557 -4.956 1.00 3.12 N ATOM 209 CA GLU A 14 -10.867 22.096 -4.607 1.00 3.43 C ATOM 210 C GLU A 14 -11.218 21.729 -3.158 1.00 3.34 C ATOM 211 O GLU A 14 -11.928 22.471 -2.473 1.00 3.56 O ATOM 212 CB GLU A 14 -11.942 21.560 -5.559 1.00 3.67 C ATOM 213 CG GLU A 14 -11.908 22.192 -6.943 1.00 4.07 C ATOM 214 CD GLU A 14 -12.985 21.646 -7.859 1.00 4.36 C ATOM 215 OE1 GLU A 14 -14.098 22.213 -7.872 1.00 4.71 O ATOM 216 OE2 GLU A 14 -12.716 20.651 -8.565 1.00 4.52 O ATOM 0 H GLU A 14 -9.575 20.747 -5.575 1.00 3.12 H new ATOM 0 HA GLU A 14 -10.832 23.181 -4.703 1.00 3.43 H new ATOM 0 HB2 GLU A 14 -11.820 20.482 -5.659 1.00 3.67 H new ATOM 0 HB3 GLU A 14 -12.923 21.730 -5.116 1.00 3.67 H new ATOM 0 HG2 GLU A 14 -12.029 23.271 -6.849 1.00 4.07 H new ATOM 0 HG3 GLU A 14 -10.931 22.019 -7.394 1.00 4.07 H new ATOM 223 N ALA A 15 -10.703 20.569 -2.715 1.00 3.04 N ATOM 224 CA ALA A 15 -10.932 20.062 -1.360 1.00 2.97 C ATOM 225 C ALA A 15 -9.900 20.565 -0.354 1.00 2.76 C ATOM 226 O ALA A 15 -10.263 21.206 0.630 1.00 2.91 O ATOM 227 CB ALA A 15 -10.965 18.531 -1.370 1.00 2.84 C ATOM 0 H ALA A 15 -10.118 19.961 -3.288 1.00 3.04 H new ATOM 0 HA ALA A 15 -11.898 20.448 -1.035 1.00 2.97 H new ATOM 0 HB1 ALA A 15 -11.136 18.164 -0.358 1.00 2.84 H new ATOM 0 HB2 ALA A 15 -11.770 18.189 -2.021 1.00 2.84 H new ATOM 0 HB3 ALA A 15 -10.013 18.149 -1.739 1.00 2.84 H new ATOM 233 N PHE A 16 -8.614 20.257 -0.593 1.00 2.45 N ATOM 234 CA PHE A 16 -7.515 20.676 0.297 1.00 2.28 C ATOM 235 C PHE A 16 -7.611 22.162 0.628 1.00 2.56 C ATOM 236 O PHE A 16 -7.411 22.571 1.772 1.00 2.60 O ATOM 237 CB PHE A 16 -6.173 20.390 -0.385 1.00 2.02 C ATOM 238 CG PHE A 16 -4.936 20.543 0.479 1.00 1.86 C ATOM 239 CD1 PHE A 16 -4.523 21.791 0.951 1.00 2.18 C ATOM 240 CD2 PHE A 16 -4.162 19.432 0.781 1.00 2.17 C ATOM 241 CE1 PHE A 16 -3.369 21.903 1.710 1.00 2.21 C ATOM 242 CE2 PHE A 16 -3.022 19.543 1.535 1.00 2.07 C ATOM 243 CZ PHE A 16 -2.624 20.771 2.001 1.00 1.79 C ATOM 0 H PHE A 16 -8.307 19.715 -1.401 1.00 2.45 H new ATOM 0 HA PHE A 16 -7.591 20.113 1.227 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -6.196 19.372 -0.773 1.00 2.02 H new ATOM 0 HB3 PHE A 16 -6.076 21.056 -1.243 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -5.105 22.672 0.724 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -4.463 18.461 0.415 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.051 22.869 2.074 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -2.437 18.664 1.762 1.00 2.07 H new ATOM 0 HZ PHE A 16 -1.727 20.856 2.597 1.00 1.79 H new ATOM 253 N SER A 17 -7.937 22.950 -0.391 1.00 2.80 N ATOM 254 CA SER A 17 -8.047 24.382 -0.254 1.00 3.11 C ATOM 255 C SER A 17 -9.250 24.811 0.574 1.00 3.36 C ATOM 256 O SER A 17 -9.289 25.945 1.059 1.00 3.59 O ATOM 257 CB SER A 17 -8.088 25.054 -1.621 1.00 3.33 C ATOM 258 OG SER A 17 -6.851 24.913 -2.299 1.00 3.30 O ATOM 0 H SER A 17 -8.131 22.606 -1.331 1.00 2.80 H new ATOM 0 HA SER A 17 -7.156 24.706 0.284 1.00 3.11 H new ATOM 0 HB2 SER A 17 -8.886 24.616 -2.220 1.00 3.33 H new ATOM 0 HB3 SER A 17 -8.322 26.112 -1.502 1.00 3.33 H new ATOM 0 HG SER A 17 -6.949 24.263 -3.026 1.00 3.30 H new ATOM 264 N LEU A 18 -10.242 23.919 0.732 1.00 3.35 N ATOM 265 CA LEU A 18 -11.419 24.250 1.517 1.00 3.63 C ATOM 266 C LEU A 18 -11.051 24.337 2.995 1.00 3.56 C ATOM 267 O LEU A 18 -11.767 24.919 3.815 1.00 3.81 O ATOM 268 CB LEU A 18 -12.554 23.256 1.238 1.00 3.72 C ATOM 269 CG LEU A 18 -12.618 22.052 2.163 1.00 3.54 C ATOM 270 CD1 LEU A 18 -13.522 22.324 3.361 1.00 3.79 C ATOM 271 CD2 LEU A 18 -13.074 20.800 1.428 1.00 3.53 C ATOM 0 H LEU A 18 -10.244 22.982 0.330 1.00 3.35 H new ATOM 0 HA LEU A 18 -11.792 25.231 1.222 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -13.503 23.789 1.300 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -12.455 22.899 0.213 1.00 3.72 H new ATOM 0 HG LEU A 18 -11.606 21.876 2.528 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -13.548 21.445 4.004 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -13.135 23.174 3.923 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -14.530 22.548 3.013 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -13.107 19.961 2.124 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -14.067 20.965 1.011 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -12.375 20.576 0.622 1.00 3.53 H new ATOM 283 N PHE A 19 -9.916 23.733 3.278 1.00 3.24 N ATOM 284 CA PHE A 19 -9.327 23.701 4.610 1.00 3.16 C ATOM 285 C PHE A 19 -7.999 24.457 4.590 1.00 3.11 C ATOM 286 O PHE A 19 -7.262 24.471 5.581 1.00 3.07 O ATOM 287 CB PHE A 19 -9.069 22.254 5.043 1.00 2.89 C ATOM 288 CG PHE A 19 -10.293 21.376 5.132 1.00 3.01 C ATOM 289 CD1 PHE A 19 -10.517 20.390 4.185 1.00 3.31 C ATOM 290 CD2 PHE A 19 -11.207 21.524 6.167 1.00 3.27 C ATOM 291 CE1 PHE A 19 -11.627 19.571 4.265 1.00 3.50 C ATOM 292 CE2 PHE A 19 -12.320 20.708 6.249 1.00 3.41 C ATOM 293 CZ PHE A 19 -12.529 19.730 5.297 1.00 3.37 C ATOM 0 H PHE A 19 -9.362 23.239 2.578 1.00 3.24 H new ATOM 0 HA PHE A 19 -10.017 24.167 5.313 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -8.369 21.802 4.340 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -8.580 22.266 6.017 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -9.815 20.260 3.374 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -11.047 22.285 6.916 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -11.789 18.806 3.520 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -13.025 20.835 7.057 1.00 3.41 H new ATOM 0 HZ PHE A 19 -13.397 19.091 5.360 1.00 3.37 H new ATOM 303 N ALA A 20 -7.714 25.095 3.441 1.00 3.18 N ATOM 304 CA ALA A 20 -6.447 25.843 3.224 1.00 3.22 C ATOM 305 C ALA A 20 -6.104 26.840 4.342 1.00 3.51 C ATOM 306 O ALA A 20 -6.949 27.630 4.771 1.00 3.80 O ATOM 307 CB ALA A 20 -6.478 26.572 1.889 1.00 3.38 C ATOM 0 H ALA A 20 -8.344 25.112 2.639 1.00 3.18 H new ATOM 0 HA ALA A 20 -5.662 25.087 3.229 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -5.543 27.113 1.748 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -6.604 25.849 1.083 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -7.310 27.276 1.878 1.00 3.38 H new ATOM 313 N LYS A 21 -4.841 26.774 4.795 1.00 3.61 N ATOM 314 CA LYS A 21 -4.315 27.652 5.848 1.00 3.95 C ATOM 315 C LYS A 21 -3.681 28.919 5.251 1.00 3.96 C ATOM 316 O LYS A 21 -3.500 29.018 4.033 1.00 4.13 O ATOM 317 CB LYS A 21 -3.273 26.888 6.685 1.00 4.48 C ATOM 318 CG LYS A 21 -3.785 26.365 8.024 1.00 5.04 C ATOM 319 CD LYS A 21 -4.642 25.112 7.866 1.00 4.99 C ATOM 320 CE LYS A 21 -6.083 25.383 8.253 1.00 5.12 C ATOM 321 NZ LYS A 21 -6.899 24.138 8.277 1.00 5.47 N ATOM 0 H LYS A 21 -4.156 26.108 4.439 1.00 3.61 H new ATOM 0 HA LYS A 21 -5.144 27.958 6.485 1.00 3.95 H new ATOM 0 HB2 LYS A 21 -2.904 26.046 6.099 1.00 4.48 H new ATOM 0 HB3 LYS A 21 -2.423 27.545 6.869 1.00 4.48 H new ATOM 0 HG2 LYS A 21 -2.938 26.144 8.673 1.00 5.04 H new ATOM 0 HG3 LYS A 21 -4.369 27.143 8.516 1.00 5.04 H new ATOM 0 HD2 LYS A 21 -4.599 24.766 6.833 1.00 4.99 H new ATOM 0 HD3 LYS A 21 -4.240 24.312 8.487 1.00 4.99 H new ATOM 0 HE2 LYS A 21 -6.112 25.854 9.236 1.00 5.12 H new ATOM 0 HE3 LYS A 21 -6.521 26.090 7.548 1.00 5.12 H new ATOM 0 HZ1 LYS A 21 -7.716 24.270 8.907 1.00 5.47 H new ATOM 0 HZ2 LYS A 21 -7.234 23.924 7.316 1.00 5.47 H new ATOM 0 HZ3 LYS A 21 -6.318 23.349 8.624 1.00 5.47 H new ATOM 335 N ASP A 22 -3.346 29.882 6.127 1.00 4.12 N ATOM 336 CA ASP A 22 -2.741 31.150 5.721 1.00 4.45 C ATOM 337 C ASP A 22 -1.209 31.076 5.614 1.00 4.42 C ATOM 338 O ASP A 22 -0.598 31.906 4.934 1.00 4.77 O ATOM 339 CB ASP A 22 -3.132 32.261 6.700 1.00 4.96 C ATOM 340 CG ASP A 22 -4.595 32.650 6.589 1.00 5.21 C ATOM 341 OD1 ASP A 22 -5.426 32.047 7.300 1.00 5.70 O ATOM 342 OD2 ASP A 22 -4.909 33.558 5.790 1.00 5.20 O ATOM 0 H ASP A 22 -3.489 29.798 7.133 1.00 4.12 H new ATOM 0 HA ASP A 22 -3.126 31.373 4.726 1.00 4.45 H new ATOM 0 HB2 ASP A 22 -2.924 31.933 7.718 1.00 4.96 H new ATOM 0 HB3 ASP A 22 -2.512 33.138 6.515 1.00 4.96 H new ATOM 347 N GLY A 23 -0.596 30.083 6.284 1.00 4.20 N ATOM 348 CA GLY A 23 0.863 29.923 6.266 1.00 4.32 C ATOM 349 C GLY A 23 1.403 29.409 4.938 1.00 4.21 C ATOM 350 O GLY A 23 1.290 30.091 3.916 1.00 4.37 O ATOM 0 H GLY A 23 -1.088 29.385 6.841 1.00 4.20 H new ATOM 0 HA2 GLY A 23 1.328 30.883 6.491 1.00 4.32 H new ATOM 0 HA3 GLY A 23 1.154 29.234 7.059 1.00 4.32 H new ATOM 354 N ASP A 24 1.991 28.200 4.960 1.00 3.98 N ATOM 355 CA ASP A 24 2.555 27.567 3.751 1.00 3.89 C ATOM 356 C ASP A 24 1.449 27.059 2.816 1.00 3.62 C ATOM 357 O ASP A 24 1.705 26.720 1.656 1.00 3.56 O ATOM 358 CB ASP A 24 3.481 26.409 4.138 1.00 3.77 C ATOM 359 CG ASP A 24 4.766 26.882 4.791 1.00 4.13 C ATOM 360 OD1 ASP A 24 4.787 27.013 6.033 1.00 4.50 O ATOM 361 OD2 ASP A 24 5.751 27.121 4.061 1.00 4.32 O ATOM 0 H ASP A 24 2.089 27.638 5.806 1.00 3.98 H new ATOM 0 HA ASP A 24 3.129 28.325 3.219 1.00 3.89 H new ATOM 0 HB2 ASP A 24 2.956 25.741 4.821 1.00 3.77 H new ATOM 0 HB3 ASP A 24 3.723 25.829 3.247 1.00 3.77 H new ATOM 366 N GLY A 25 0.223 27.017 3.351 1.00 3.50 N ATOM 367 CA GLY A 25 -0.945 26.577 2.600 1.00 3.30 C ATOM 368 C GLY A 25 -1.147 25.105 2.792 1.00 2.90 C ATOM 369 O GLY A 25 -1.191 24.327 1.834 1.00 2.69 O ATOM 0 H GLY A 25 0.019 27.287 4.313 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -1.829 27.121 2.933 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -0.813 26.800 1.541 1.00 3.30 H new ATOM 373 N THR A 26 -1.269 24.748 4.068 1.00 2.85 N ATOM 374 CA THR A 26 -1.411 23.371 4.481 1.00 2.53 C ATOM 375 C THR A 26 -2.784 23.068 5.083 1.00 2.45 C ATOM 376 O THR A 26 -3.631 23.959 5.200 1.00 2.66 O ATOM 377 CB THR A 26 -0.334 23.006 5.511 1.00 2.59 C ATOM 378 OG1 THR A 26 -0.470 23.785 6.707 1.00 2.84 O ATOM 379 CG2 THR A 26 1.027 23.206 4.917 1.00 2.74 C ATOM 0 H THR A 26 -1.271 25.414 4.840 1.00 2.85 H new ATOM 0 HA THR A 26 -1.298 22.771 3.578 1.00 2.53 H new ATOM 0 HB THR A 26 -0.462 21.957 5.779 1.00 2.59 H new ATOM 0 HG1 THR A 26 0.411 23.909 7.119 1.00 2.84 H new ATOM 0 HG21 THR A 26 1.787 22.945 5.653 1.00 2.74 H new ATOM 0 HG22 THR A 26 1.138 22.569 4.039 1.00 2.74 H new ATOM 0 HG23 THR A 26 1.147 24.249 4.626 1.00 2.74 H new ATOM 387 N ILE A 27 -2.987 21.793 5.466 1.00 2.21 N ATOM 388 CA ILE A 27 -4.248 21.341 6.085 1.00 2.22 C ATOM 389 C ILE A 27 -3.948 20.236 7.098 1.00 2.15 C ATOM 390 O ILE A 27 -2.789 19.949 7.366 1.00 2.13 O ATOM 391 CB ILE A 27 -5.327 20.861 5.057 1.00 2.13 C ATOM 392 CG1 ILE A 27 -4.856 19.606 4.304 1.00 1.82 C ATOM 393 CG2 ILE A 27 -5.710 21.994 4.107 1.00 2.31 C ATOM 394 CD1 ILE A 27 -5.956 18.903 3.536 1.00 1.79 C ATOM 0 H ILE A 27 -2.291 21.055 5.357 1.00 2.21 H new ATOM 0 HA ILE A 27 -4.682 22.209 6.581 1.00 2.22 H new ATOM 0 HB ILE A 27 -6.226 20.581 5.606 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -4.064 19.886 3.610 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -4.421 18.907 5.019 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -6.461 21.639 3.401 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -6.116 22.828 4.680 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -4.827 22.325 3.561 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -5.546 18.028 3.032 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -6.739 18.590 4.227 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -6.376 19.584 2.796 1.00 1.79 H new ATOM 406 N THR A 28 -4.983 19.644 7.674 1.00 2.23 N ATOM 407 CA THR A 28 -4.800 18.569 8.650 1.00 2.29 C ATOM 408 C THR A 28 -5.099 17.219 7.996 1.00 2.17 C ATOM 409 O THR A 28 -5.399 17.158 6.799 1.00 2.04 O ATOM 410 CB THR A 28 -5.659 18.779 9.929 1.00 2.57 C ATOM 411 OG1 THR A 28 -7.055 18.654 9.627 1.00 2.86 O ATOM 412 CG2 THR A 28 -5.401 20.143 10.567 1.00 3.10 C ATOM 0 H THR A 28 -5.956 19.885 7.487 1.00 2.23 H new ATOM 0 HA THR A 28 -3.759 18.584 8.974 1.00 2.29 H new ATOM 0 HB THR A 28 -5.368 18.005 10.639 1.00 2.57 H new ATOM 0 HG1 THR A 28 -7.486 19.531 9.704 1.00 2.86 H new ATOM 0 HG21 THR A 28 -6.020 20.251 11.458 1.00 3.10 H new ATOM 0 HG22 THR A 28 -4.350 20.222 10.844 1.00 3.10 H new ATOM 0 HG23 THR A 28 -5.649 20.930 9.855 1.00 3.10 H new ATOM 420 N THR A 29 -5.017 16.146 8.782 1.00 2.30 N ATOM 421 CA THR A 29 -5.206 14.795 8.262 1.00 2.30 C ATOM 422 C THR A 29 -6.659 14.335 8.197 1.00 2.50 C ATOM 423 O THR A 29 -7.094 13.809 7.170 1.00 2.44 O ATOM 424 CB THR A 29 -4.394 13.789 9.057 1.00 2.48 C ATOM 425 OG1 THR A 29 -4.560 13.998 10.466 1.00 2.75 O ATOM 426 CG2 THR A 29 -2.941 13.926 8.663 1.00 2.32 C ATOM 0 H THR A 29 -4.821 16.188 9.782 1.00 2.30 H new ATOM 0 HA THR A 29 -4.852 14.843 7.232 1.00 2.30 H new ATOM 0 HB THR A 29 -4.742 12.780 8.835 1.00 2.48 H new ATOM 0 HG1 THR A 29 -4.030 13.338 10.959 1.00 2.75 H new ATOM 0 HG21 THR A 29 -2.342 13.210 9.226 1.00 2.32 H new ATOM 0 HG22 THR A 29 -2.833 13.730 7.596 1.00 2.32 H new ATOM 0 HG23 THR A 29 -2.598 14.937 8.883 1.00 2.32 H new ATOM 434 N LYS A 30 -7.402 14.513 9.296 1.00 2.77 N ATOM 435 CA LYS A 30 -8.822 14.111 9.359 1.00 3.04 C ATOM 436 C LYS A 30 -9.649 14.753 8.229 1.00 2.98 C ATOM 437 O LYS A 30 -10.563 14.129 7.683 1.00 3.14 O ATOM 438 CB LYS A 30 -9.439 14.445 10.738 1.00 3.33 C ATOM 439 CG LYS A 30 -9.239 15.888 11.218 1.00 3.42 C ATOM 440 CD LYS A 30 -8.072 16.001 12.187 1.00 3.38 C ATOM 441 CE LYS A 30 -7.887 17.430 12.670 1.00 3.68 C ATOM 442 NZ LYS A 30 -6.747 17.552 13.619 1.00 3.70 N ATOM 0 H LYS A 30 -7.048 14.932 10.156 1.00 2.77 H new ATOM 0 HA LYS A 30 -8.853 13.030 9.222 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -10.509 14.239 10.698 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -9.012 13.771 11.481 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -9.063 16.536 10.359 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -10.150 16.240 11.702 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -8.242 15.346 13.041 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -7.159 15.659 11.700 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -7.718 18.084 11.814 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -8.802 17.770 13.156 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -6.654 18.542 13.925 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -6.919 16.948 14.448 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -5.870 17.252 13.148 1.00 3.70 H new ATOM 456 N GLU A 31 -9.302 16.001 7.902 1.00 2.81 N ATOM 457 CA GLU A 31 -9.977 16.766 6.848 1.00 2.81 C ATOM 458 C GLU A 31 -9.343 16.562 5.464 1.00 2.52 C ATOM 459 O GLU A 31 -9.952 16.946 4.459 1.00 2.57 O ATOM 460 CB GLU A 31 -9.988 18.259 7.208 1.00 2.89 C ATOM 461 CG GLU A 31 -10.797 18.587 8.461 1.00 3.24 C ATOM 462 CD GLU A 31 -10.463 19.949 9.044 1.00 3.22 C ATOM 463 OE1 GLU A 31 -11.357 20.820 9.069 1.00 3.26 O ATOM 464 OE2 GLU A 31 -9.308 20.143 9.483 1.00 3.60 O ATOM 0 H GLU A 31 -8.546 16.510 8.360 1.00 2.81 H new ATOM 0 HA GLU A 31 -10.999 16.391 6.787 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -8.961 18.596 7.352 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -10.394 18.822 6.368 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -11.859 18.552 8.220 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -10.615 17.821 9.215 1.00 3.24 H new ATOM 471 N LEU A 32 -8.132 15.960 5.391 1.00 2.26 N ATOM 472 CA LEU A 32 -7.481 15.745 4.085 1.00 1.98 C ATOM 473 C LEU A 32 -8.075 14.579 3.336 1.00 2.07 C ATOM 474 O LEU A 32 -8.154 14.603 2.114 1.00 1.98 O ATOM 475 CB LEU A 32 -5.961 15.610 4.168 1.00 1.69 C ATOM 476 CG LEU A 32 -5.320 14.439 4.924 1.00 1.74 C ATOM 477 CD1 LEU A 32 -5.340 13.121 4.154 1.00 1.76 C ATOM 478 CD2 LEU A 32 -3.900 14.826 5.153 1.00 1.59 C ATOM 0 H LEU A 32 -7.603 15.625 6.196 1.00 2.26 H new ATOM 0 HA LEU A 32 -7.684 16.656 3.521 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -5.585 15.576 3.145 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -5.581 16.528 4.617 1.00 1.69 H new ATOM 0 HG LEU A 32 -5.887 14.266 5.839 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -4.869 12.342 4.754 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -6.371 12.840 3.940 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -4.794 13.238 3.218 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -3.388 14.028 5.690 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -3.409 14.991 4.194 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -3.863 15.742 5.742 1.00 1.59 H new ATOM 490 N GLY A 33 -8.444 13.536 4.070 1.00 2.31 N ATOM 491 CA GLY A 33 -9.100 12.398 3.444 1.00 2.52 C ATOM 492 C GLY A 33 -10.425 12.814 2.875 1.00 2.75 C ATOM 493 O GLY A 33 -10.981 12.140 2.021 1.00 2.91 O ATOM 0 H GLY A 33 -8.304 13.455 5.077 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -8.467 11.993 2.654 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -9.243 11.603 4.176 1.00 2.52 H new ATOM 497 N THR A 34 -10.922 13.955 3.380 1.00 2.81 N ATOM 498 CA THR A 34 -12.152 14.555 2.898 1.00 3.07 C ATOM 499 C THR A 34 -11.922 15.039 1.481 1.00 2.93 C ATOM 500 O THR A 34 -12.849 15.299 0.709 1.00 3.16 O ATOM 501 CB THR A 34 -12.680 15.681 3.827 1.00 3.23 C ATOM 502 OG1 THR A 34 -12.525 15.293 5.198 1.00 3.30 O ATOM 503 CG2 THR A 34 -14.154 15.986 3.563 1.00 3.60 C ATOM 0 H THR A 34 -10.474 14.478 4.133 1.00 2.81 H new ATOM 0 HA THR A 34 -12.939 13.801 2.904 1.00 3.07 H new ATOM 0 HB THR A 34 -12.098 16.579 3.618 1.00 3.23 H new ATOM 0 HG1 THR A 34 -12.999 15.929 5.774 1.00 3.30 H new ATOM 0 HG21 THR A 34 -14.487 16.779 4.232 1.00 3.60 H new ATOM 0 HG22 THR A 34 -14.280 16.307 2.529 1.00 3.60 H new ATOM 0 HG23 THR A 34 -14.748 15.089 3.739 1.00 3.60 H new ATOM 511 N VAL A 35 -10.637 15.144 1.197 1.00 2.56 N ATOM 512 CA VAL A 35 -10.127 15.465 -0.129 1.00 2.39 C ATOM 513 C VAL A 35 -10.230 14.182 -0.918 1.00 2.44 C ATOM 514 O VAL A 35 -10.553 14.205 -2.100 1.00 2.53 O ATOM 515 CB VAL A 35 -8.621 15.915 -0.184 1.00 2.01 C ATOM 516 CG1 VAL A 35 -8.115 16.001 -1.624 1.00 1.92 C ATOM 517 CG2 VAL A 35 -8.374 17.248 0.489 1.00 2.02 C ATOM 0 H VAL A 35 -9.903 15.007 1.892 1.00 2.56 H new ATOM 0 HA VAL A 35 -10.706 16.307 -0.508 1.00 2.39 H new ATOM 0 HB VAL A 35 -8.074 15.146 0.362 1.00 2.01 H new ATOM 0 HG11 VAL A 35 -7.071 16.315 -1.625 1.00 1.92 H new ATOM 0 HG12 VAL A 35 -8.201 15.024 -2.099 1.00 1.92 H new ATOM 0 HG13 VAL A 35 -8.712 16.726 -2.177 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -7.316 17.502 0.417 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -8.967 18.019 -0.003 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -8.661 17.184 1.539 1.00 2.02 H new ATOM 527 N MET A 36 -9.962 13.051 -0.228 1.00 2.44 N ATOM 528 CA MET A 36 -9.994 11.765 -0.879 1.00 2.55 C ATOM 529 C MET A 36 -11.412 11.188 -0.996 1.00 2.97 C ATOM 530 O MET A 36 -11.774 10.669 -2.057 1.00 3.11 O ATOM 531 CB MET A 36 -9.091 10.774 -0.148 1.00 2.49 C ATOM 532 CG MET A 36 -8.224 9.931 -1.071 1.00 2.24 C ATOM 533 SD MET A 36 -7.175 8.764 -0.177 1.00 2.48 S ATOM 534 CE MET A 36 -5.827 9.824 0.354 1.00 1.96 C ATOM 0 H MET A 36 -9.727 13.023 0.764 1.00 2.44 H new ATOM 0 HA MET A 36 -9.626 11.923 -1.893 1.00 2.55 H new ATOM 0 HB2 MET A 36 -8.446 11.323 0.538 1.00 2.49 H new ATOM 0 HB3 MET A 36 -9.710 10.112 0.457 1.00 2.49 H new ATOM 0 HG2 MET A 36 -8.864 9.381 -1.761 1.00 2.24 H new ATOM 0 HG3 MET A 36 -7.597 10.588 -1.673 1.00 2.24 H new ATOM 0 HE1 MET A 36 -5.534 9.559 1.370 1.00 1.96 H new ATOM 0 HE2 MET A 36 -4.976 9.693 -0.315 1.00 1.96 H new ATOM 0 HE3 MET A 36 -6.151 10.864 0.329 1.00 1.96 H new ATOM 544 N ARG A 37 -12.220 11.287 0.089 1.00 3.18 N ATOM 545 CA ARG A 37 -13.568 10.715 0.119 1.00 3.60 C ATOM 546 C ARG A 37 -14.488 11.255 -0.986 1.00 3.77 C ATOM 547 O ARG A 37 -15.388 10.556 -1.462 1.00 4.10 O ATOM 548 CB ARG A 37 -14.233 11.018 1.468 1.00 3.78 C ATOM 549 CG ARG A 37 -14.023 9.958 2.532 1.00 4.18 C ATOM 550 CD ARG A 37 -12.672 10.087 3.201 1.00 4.52 C ATOM 551 NE ARG A 37 -12.468 9.071 4.239 1.00 4.90 N ATOM 552 CZ ARG A 37 -11.786 9.267 5.377 1.00 5.36 C ATOM 553 NH1 ARG A 37 -11.225 10.444 5.650 1.00 5.45 N ATOM 554 NH2 ARG A 37 -11.664 8.273 6.247 1.00 5.91 N ATOM 0 H ARG A 37 -11.950 11.761 0.951 1.00 3.18 H new ATOM 0 HA ARG A 37 -13.440 9.644 -0.040 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -13.850 11.968 1.841 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -15.304 11.146 1.309 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -14.809 10.038 3.283 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -14.112 8.969 2.082 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -11.887 9.999 2.450 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -12.581 11.079 3.643 1.00 4.52 H new ATOM 0 HE ARG A 37 -12.874 8.148 4.084 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -11.310 11.215 4.988 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -10.710 10.574 6.521 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -12.088 7.367 6.048 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -11.147 8.415 7.114 1.00 5.91 H new ATOM 568 N SER A 38 -14.234 12.505 -1.372 1.00 3.57 N ATOM 569 CA SER A 38 -15.031 13.231 -2.379 1.00 3.76 C ATOM 570 C SER A 38 -14.979 12.609 -3.779 1.00 3.81 C ATOM 571 O SER A 38 -15.982 12.632 -4.499 1.00 4.08 O ATOM 572 CB SER A 38 -14.568 14.687 -2.453 1.00 3.59 C ATOM 573 OG SER A 38 -14.749 15.344 -1.211 1.00 3.89 O ATOM 0 H SER A 38 -13.462 13.054 -0.994 1.00 3.57 H new ATOM 0 HA SER A 38 -16.068 13.167 -2.049 1.00 3.76 H new ATOM 0 HB2 SER A 38 -13.516 14.723 -2.737 1.00 3.59 H new ATOM 0 HB3 SER A 38 -15.126 15.210 -3.229 1.00 3.59 H new ATOM 0 HG SER A 38 -13.942 15.239 -0.665 1.00 3.89 H new ATOM 579 N LEU A 39 -13.821 12.059 -4.159 1.00 3.59 N ATOM 580 CA LEU A 39 -13.656 11.449 -5.489 1.00 3.65 C ATOM 581 C LEU A 39 -14.119 9.987 -5.507 1.00 3.91 C ATOM 582 O LEU A 39 -14.172 9.357 -6.570 1.00 4.06 O ATOM 583 CB LEU A 39 -12.201 11.548 -5.963 1.00 3.29 C ATOM 584 CG LEU A 39 -11.603 12.955 -5.912 1.00 3.06 C ATOM 585 CD1 LEU A 39 -10.867 13.155 -4.608 1.00 2.78 C ATOM 586 CD2 LEU A 39 -10.682 13.208 -7.087 1.00 3.19 C ATOM 0 H LEU A 39 -12.988 12.022 -3.572 1.00 3.59 H new ATOM 0 HA LEU A 39 -14.288 12.010 -6.177 1.00 3.65 H new ATOM 0 HB2 LEU A 39 -11.589 10.886 -5.351 1.00 3.29 H new ATOM 0 HB3 LEU A 39 -12.142 11.180 -6.987 1.00 3.29 H new ATOM 0 HG LEU A 39 -12.420 13.674 -5.974 1.00 3.06 H new ATOM 0 HD11 LEU A 39 -10.444 14.159 -4.579 1.00 2.78 H new ATOM 0 HD12 LEU A 39 -11.560 13.029 -3.776 1.00 2.78 H new ATOM 0 HD13 LEU A 39 -10.065 12.421 -4.526 1.00 2.78 H new ATOM 0 HD21 LEU A 39 -10.275 14.217 -7.019 1.00 3.19 H new ATOM 0 HD22 LEU A 39 -9.866 12.485 -7.072 1.00 3.19 H new ATOM 0 HD23 LEU A 39 -11.241 13.104 -8.017 1.00 3.19 H new ATOM 598 N GLY A 40 -14.457 9.466 -4.323 1.00 4.01 N ATOM 599 CA GLY A 40 -14.913 8.090 -4.196 1.00 4.30 C ATOM 600 C GLY A 40 -13.817 7.152 -3.726 1.00 4.16 C ATOM 601 O GLY A 40 -13.793 5.980 -4.115 1.00 4.36 O ATOM 0 H GLY A 40 -14.421 9.981 -3.443 1.00 4.01 H new ATOM 0 HA2 GLY A 40 -15.745 8.051 -3.494 1.00 4.30 H new ATOM 0 HA3 GLY A 40 -15.292 7.747 -5.159 1.00 4.30 H new ATOM 605 N GLN A 41 -12.905 7.670 -2.886 1.00 3.86 N ATOM 606 CA GLN A 41 -11.790 6.887 -2.349 1.00 3.74 C ATOM 607 C GLN A 41 -11.488 7.370 -0.941 1.00 3.60 C ATOM 608 O GLN A 41 -11.120 8.526 -0.747 1.00 3.46 O ATOM 609 CB GLN A 41 -10.531 7.037 -3.224 1.00 3.47 C ATOM 610 CG GLN A 41 -10.647 6.419 -4.612 1.00 3.68 C ATOM 611 CD GLN A 41 -9.300 6.055 -5.202 1.00 3.94 C ATOM 612 OE1 GLN A 41 -8.662 6.866 -5.872 1.00 4.34 O ATOM 613 NE2 GLN A 41 -8.862 4.825 -4.958 1.00 4.15 N ATOM 0 H GLN A 41 -12.923 8.638 -2.564 1.00 3.86 H new ATOM 0 HA GLN A 41 -12.072 5.834 -2.341 1.00 3.74 H new ATOM 0 HB2 GLN A 41 -10.303 8.097 -3.331 1.00 3.47 H new ATOM 0 HB3 GLN A 41 -9.688 6.580 -2.706 1.00 3.47 H new ATOM 0 HG2 GLN A 41 -11.269 5.525 -4.557 1.00 3.68 H new ATOM 0 HG3 GLN A 41 -11.153 7.119 -5.276 1.00 3.68 H new ATOM 0 HE21 GLN A 41 -9.424 4.185 -4.397 1.00 4.15 H new ATOM 0 HE22 GLN A 41 -7.963 4.520 -5.332 1.00 4.15 H new ATOM 622 N ASN A 42 -11.623 6.489 0.037 1.00 3.76 N ATOM 623 CA ASN A 42 -11.385 6.866 1.414 1.00 3.68 C ATOM 624 C ASN A 42 -10.021 6.321 1.900 1.00 3.53 C ATOM 625 O ASN A 42 -9.699 5.169 1.598 1.00 3.67 O ATOM 626 CB ASN A 42 -12.496 6.315 2.329 1.00 4.06 C ATOM 627 CG ASN A 42 -13.910 6.697 1.903 1.00 4.60 C ATOM 628 OD1 ASN A 42 -14.210 6.832 0.714 1.00 4.82 O ATOM 629 ND2 ASN A 42 -14.790 6.870 2.882 1.00 5.19 N ATOM 0 H ASN A 42 -11.894 5.515 -0.099 1.00 3.76 H new ATOM 0 HA ASN A 42 -11.381 7.955 1.463 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -12.420 5.228 2.359 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -12.326 6.674 3.344 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -15.753 7.124 2.663 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -14.503 6.749 3.853 1.00 5.19 H new ATOM 636 N PRO A 43 -9.189 7.114 2.653 1.00 3.30 N ATOM 637 CA PRO A 43 -7.888 6.644 3.165 1.00 3.22 C ATOM 638 C PRO A 43 -8.005 5.946 4.532 1.00 3.54 C ATOM 639 O PRO A 43 -9.083 5.939 5.135 1.00 3.81 O ATOM 640 CB PRO A 43 -7.066 7.940 3.294 1.00 2.89 C ATOM 641 CG PRO A 43 -8.007 9.081 3.030 1.00 2.92 C ATOM 642 CD PRO A 43 -9.403 8.520 3.045 1.00 3.17 C ATOM 0 HA PRO A 43 -7.441 5.899 2.507 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -6.628 8.022 4.289 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -6.241 7.947 2.581 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -7.895 9.855 3.789 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -7.789 9.544 2.068 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -9.862 8.601 4.030 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -10.057 9.041 2.345 1.00 3.17 H new ATOM 650 N THR A 44 -6.889 5.362 5.011 1.00 3.56 N ATOM 651 CA THR A 44 -6.859 4.668 6.310 1.00 3.90 C ATOM 652 C THR A 44 -6.777 5.677 7.466 1.00 3.85 C ATOM 653 O THR A 44 -6.423 6.837 7.253 1.00 3.54 O ATOM 654 CB THR A 44 -5.673 3.675 6.408 1.00 4.01 C ATOM 655 OG1 THR A 44 -5.223 3.299 5.099 1.00 3.86 O ATOM 656 CG2 THR A 44 -6.075 2.421 7.176 1.00 4.50 C ATOM 0 H THR A 44 -5.997 5.358 4.516 1.00 3.56 H new ATOM 0 HA THR A 44 -7.787 4.102 6.387 1.00 3.90 H new ATOM 0 HB THR A 44 -4.865 4.177 6.941 1.00 4.01 H new ATOM 0 HG1 THR A 44 -4.473 2.673 5.178 1.00 3.86 H new ATOM 0 HG21 THR A 44 -5.226 1.740 7.231 1.00 4.50 H new ATOM 0 HG22 THR A 44 -6.386 2.696 8.184 1.00 4.50 H new ATOM 0 HG23 THR A 44 -6.902 1.929 6.663 1.00 4.50 H new ATOM 664 N GLU A 45 -7.104 5.221 8.683 1.00 4.21 N ATOM 665 CA GLU A 45 -7.104 6.080 9.880 1.00 4.27 C ATOM 666 C GLU A 45 -5.705 6.305 10.474 1.00 4.16 C ATOM 667 O GLU A 45 -5.400 7.410 10.932 1.00 4.02 O ATOM 668 CB GLU A 45 -8.023 5.488 10.953 1.00 4.73 C ATOM 669 CG GLU A 45 -9.506 5.635 10.644 1.00 4.87 C ATOM 670 CD GLU A 45 -10.388 5.036 11.722 1.00 5.41 C ATOM 671 OE1 GLU A 45 -10.752 5.769 12.667 1.00 5.67 O ATOM 672 OE2 GLU A 45 -10.716 3.835 11.622 1.00 5.89 O ATOM 0 H GLU A 45 -7.374 4.255 8.867 1.00 4.21 H new ATOM 0 HA GLU A 45 -7.471 7.053 9.555 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -7.790 4.430 11.074 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -7.811 5.972 11.906 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -9.746 6.692 10.529 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -9.724 5.153 9.691 1.00 4.87 H new ATOM 679 N ALA A 46 -4.864 5.262 10.462 1.00 4.29 N ATOM 680 CA ALA A 46 -3.512 5.344 11.036 1.00 4.30 C ATOM 681 C ALA A 46 -2.447 5.794 10.033 1.00 3.96 C ATOM 682 O ALA A 46 -1.385 6.277 10.439 1.00 3.93 O ATOM 683 CB ALA A 46 -3.114 4.001 11.626 1.00 4.70 C ATOM 0 H ALA A 46 -5.095 4.352 10.062 1.00 4.29 H new ATOM 0 HA ALA A 46 -3.558 6.107 11.813 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -2.112 4.072 12.048 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -3.819 3.724 12.410 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -3.125 3.242 10.844 1.00 4.70 H new ATOM 689 N GLU A 47 -2.725 5.640 8.732 1.00 3.76 N ATOM 690 CA GLU A 47 -1.772 6.008 7.683 1.00 3.47 C ATOM 691 C GLU A 47 -1.724 7.506 7.410 1.00 3.09 C ATOM 692 O GLU A 47 -0.717 8.002 6.903 1.00 2.91 O ATOM 693 CB GLU A 47 -2.052 5.223 6.395 1.00 3.43 C ATOM 694 CG GLU A 47 -1.694 3.746 6.485 1.00 3.78 C ATOM 695 CD GLU A 47 -1.826 3.029 5.155 1.00 3.77 C ATOM 696 OE1 GLU A 47 -0.984 3.271 4.265 1.00 3.72 O ATOM 697 OE2 GLU A 47 -2.768 2.223 5.006 1.00 4.19 O ATOM 0 H GLU A 47 -3.605 5.262 8.382 1.00 3.76 H new ATOM 0 HA GLU A 47 -0.784 5.737 8.055 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -3.109 5.316 6.146 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -1.491 5.674 5.577 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -0.671 3.646 6.847 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -2.340 3.264 7.219 1.00 3.78 H new ATOM 704 N LEU A 48 -2.803 8.229 7.734 1.00 3.03 N ATOM 705 CA LEU A 48 -2.827 9.691 7.564 1.00 2.71 C ATOM 706 C LEU A 48 -1.773 10.339 8.454 1.00 2.75 C ATOM 707 O LEU A 48 -1.284 11.423 8.170 1.00 2.53 O ATOM 708 CB LEU A 48 -4.175 10.299 7.937 1.00 2.77 C ATOM 709 CG LEU A 48 -5.413 9.593 7.412 1.00 2.90 C ATOM 710 CD1 LEU A 48 -6.543 9.661 8.429 1.00 3.19 C ATOM 711 CD2 LEU A 48 -5.823 10.240 6.115 1.00 2.63 C ATOM 0 H LEU A 48 -3.664 7.833 8.112 1.00 3.03 H new ATOM 0 HA LEU A 48 -2.630 9.880 6.509 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -4.241 10.337 9.024 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -4.194 11.329 7.580 1.00 2.77 H new ATOM 0 HG LEU A 48 -5.189 8.540 7.241 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -7.420 9.149 8.033 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -6.229 9.179 9.355 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -6.790 10.704 8.629 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -6.712 9.743 5.725 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -6.043 11.294 6.287 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -5.012 10.152 5.392 1.00 2.63 H new ATOM 723 N GLN A 49 -1.467 9.658 9.558 1.00 3.08 N ATOM 724 CA GLN A 49 -0.467 10.118 10.515 1.00 3.22 C ATOM 725 C GLN A 49 0.957 9.831 10.030 1.00 3.25 C ATOM 726 O GLN A 49 1.847 10.659 10.229 1.00 3.25 O ATOM 727 CB GLN A 49 -0.690 9.458 11.880 1.00 3.61 C ATOM 728 CG GLN A 49 -1.901 9.991 12.633 1.00 3.67 C ATOM 729 CD GLN A 49 -2.094 9.317 13.977 1.00 4.10 C ATOM 730 OE1 GLN A 49 -2.781 8.301 14.082 1.00 4.58 O ATOM 731 NE2 GLN A 49 -1.487 9.882 15.015 1.00 4.30 N ATOM 0 H GLN A 49 -1.906 8.773 9.812 1.00 3.08 H new ATOM 0 HA GLN A 49 -0.581 11.198 10.610 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -0.807 8.384 11.738 1.00 3.61 H new ATOM 0 HB3 GLN A 49 0.200 9.604 12.493 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -1.788 11.065 12.782 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -2.795 9.846 12.026 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -0.927 10.724 14.882 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -1.581 9.474 15.945 1.00 4.30 H new ATOM 740 N ASP A 50 1.171 8.657 9.400 1.00 3.34 N ATOM 741 CA ASP A 50 2.508 8.281 8.920 1.00 3.43 C ATOM 742 C ASP A 50 2.820 8.763 7.493 1.00 3.13 C ATOM 743 O ASP A 50 3.887 9.334 7.261 1.00 3.13 O ATOM 744 CB ASP A 50 2.718 6.780 9.006 1.00 3.76 C ATOM 745 CG ASP A 50 2.739 6.266 10.434 1.00 4.11 C ATOM 746 OD1 ASP A 50 3.835 6.221 11.033 1.00 4.38 O ATOM 747 OD2 ASP A 50 1.660 5.909 10.953 1.00 4.38 O ATOM 0 H ASP A 50 0.444 7.965 9.216 1.00 3.34 H new ATOM 0 HA ASP A 50 3.203 8.794 9.585 1.00 3.43 H new ATOM 0 HB2 ASP A 50 1.924 6.275 8.455 1.00 3.76 H new ATOM 0 HB3 ASP A 50 3.658 6.521 8.519 1.00 3.76 H new ATOM 752 N MET A 51 1.910 8.507 6.529 1.00 2.93 N ATOM 753 CA MET A 51 2.120 8.921 5.117 1.00 2.66 C ATOM 754 C MET A 51 2.269 10.419 5.014 1.00 2.39 C ATOM 755 O MET A 51 3.095 10.933 4.256 1.00 2.30 O ATOM 756 CB MET A 51 0.970 8.466 4.212 1.00 2.59 C ATOM 757 CG MET A 51 0.606 6.989 4.332 1.00 2.35 C ATOM 758 SD MET A 51 -0.872 6.530 3.387 1.00 2.18 S ATOM 759 CE MET A 51 -2.113 7.672 4.010 1.00 2.48 C ATOM 0 H MET A 51 1.029 8.020 6.696 1.00 2.93 H new ATOM 0 HA MET A 51 3.037 8.438 4.780 1.00 2.66 H new ATOM 0 HB2 MET A 51 0.087 9.063 4.442 1.00 2.59 H new ATOM 0 HB3 MET A 51 1.236 8.677 3.176 1.00 2.59 H new ATOM 0 HG2 MET A 51 1.448 6.386 3.990 1.00 2.35 H new ATOM 0 HG3 MET A 51 0.446 6.746 5.383 1.00 2.35 H new ATOM 0 HE1 MET A 51 -2.943 7.110 4.437 1.00 2.48 H new ATOM 0 HE2 MET A 51 -1.671 8.306 4.778 1.00 2.48 H new ATOM 0 HE3 MET A 51 -2.478 8.294 3.193 1.00 2.48 H new ATOM 769 N ILE A 52 1.444 11.099 5.787 1.00 2.33 N ATOM 770 CA ILE A 52 1.457 12.540 5.885 1.00 2.15 C ATOM 771 C ILE A 52 2.709 12.990 6.622 1.00 2.40 C ATOM 772 O ILE A 52 3.149 14.115 6.488 1.00 2.36 O ATOM 773 CB ILE A 52 0.154 13.012 6.575 1.00 2.10 C ATOM 774 CG1 ILE A 52 -0.896 13.291 5.510 1.00 1.78 C ATOM 775 CG2 ILE A 52 0.339 14.214 7.499 1.00 2.22 C ATOM 776 CD1 ILE A 52 -1.856 12.142 5.279 1.00 1.85 C ATOM 0 H ILE A 52 0.736 10.656 6.372 1.00 2.33 H new ATOM 0 HA ILE A 52 1.489 12.995 4.895 1.00 2.15 H new ATOM 0 HB ILE A 52 -0.176 12.206 7.230 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -1.465 14.175 5.798 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -0.394 13.527 4.572 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -0.620 14.482 7.943 1.00 2.22 H new ATOM 0 HG22 ILE A 52 1.046 13.961 8.289 1.00 2.22 H new ATOM 0 HG23 ILE A 52 0.722 15.058 6.926 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -2.574 12.417 4.506 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -1.299 11.261 4.960 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -2.387 11.920 6.205 1.00 1.85 H new ATOM 788 N ASN A 53 3.279 12.069 7.380 1.00 2.72 N ATOM 789 CA ASN A 53 4.494 12.320 8.127 1.00 3.03 C ATOM 790 C ASN A 53 5.697 12.211 7.227 1.00 3.09 C ATOM 791 O ASN A 53 6.825 12.540 7.586 1.00 3.36 O ATOM 792 CB ASN A 53 4.589 11.331 9.290 1.00 3.37 C ATOM 793 CG ASN A 53 5.680 11.664 10.298 1.00 3.66 C ATOM 794 OD1 ASN A 53 6.820 11.220 10.167 1.00 3.89 O ATOM 795 ND2 ASN A 53 5.330 12.450 11.310 1.00 3.98 N ATOM 0 H ASN A 53 2.910 11.125 7.493 1.00 2.72 H new ATOM 0 HA ASN A 53 4.469 13.333 8.528 1.00 3.03 H new ATOM 0 HB2 ASN A 53 3.629 11.299 9.806 1.00 3.37 H new ATOM 0 HB3 ASN A 53 4.770 10.333 8.891 1.00 3.37 H new ATOM 0 HD21 ASN A 53 6.018 12.708 12.017 1.00 3.98 H new ATOM 0 HD22 ASN A 53 4.373 12.796 11.380 1.00 3.98 H new ATOM 802 N GLU A 54 5.409 11.673 6.094 1.00 2.90 N ATOM 803 CA GLU A 54 6.379 11.512 5.023 1.00 2.96 C ATOM 804 C GLU A 54 6.395 12.749 4.126 1.00 2.77 C ATOM 805 O GLU A 54 7.367 12.989 3.404 1.00 2.93 O ATOM 806 CB GLU A 54 6.048 10.267 4.190 1.00 2.91 C ATOM 807 CG GLU A 54 6.285 8.953 4.924 1.00 3.22 C ATOM 808 CD GLU A 54 5.893 7.745 4.096 1.00 3.25 C ATOM 809 OE1 GLU A 54 4.721 7.322 4.181 1.00 3.56 O ATOM 810 OE2 GLU A 54 6.758 7.222 3.363 1.00 3.40 O ATOM 0 H GLU A 54 4.480 11.320 5.863 1.00 2.90 H new ATOM 0 HA GLU A 54 7.366 11.389 5.468 1.00 2.96 H new ATOM 0 HB2 GLU A 54 5.004 10.316 3.880 1.00 2.91 H new ATOM 0 HB3 GLU A 54 6.651 10.279 3.282 1.00 2.91 H new ATOM 0 HG2 GLU A 54 7.338 8.877 5.195 1.00 3.22 H new ATOM 0 HG3 GLU A 54 5.716 8.952 5.854 1.00 3.22 H new ATOM 817 N VAL A 55 5.308 13.523 4.188 1.00 2.49 N ATOM 818 CA VAL A 55 5.168 14.729 3.373 1.00 2.36 C ATOM 819 C VAL A 55 4.823 15.982 4.178 1.00 2.40 C ATOM 820 O VAL A 55 5.099 17.098 3.721 1.00 2.49 O ATOM 821 CB VAL A 55 4.147 14.483 2.219 1.00 1.99 C ATOM 822 CG1 VAL A 55 3.529 15.767 1.662 1.00 2.37 C ATOM 823 CG2 VAL A 55 4.815 13.700 1.102 1.00 2.07 C ATOM 0 H VAL A 55 4.511 13.334 4.796 1.00 2.49 H new ATOM 0 HA VAL A 55 6.148 14.932 2.943 1.00 2.36 H new ATOM 0 HB VAL A 55 3.325 13.910 2.648 1.00 1.99 H new ATOM 0 HG11 VAL A 55 2.830 15.518 0.864 1.00 2.37 H new ATOM 0 HG12 VAL A 55 2.999 16.291 2.458 1.00 2.37 H new ATOM 0 HG13 VAL A 55 4.317 16.408 1.267 1.00 2.37 H new ATOM 0 HG21 VAL A 55 4.099 13.530 0.298 1.00 2.07 H new ATOM 0 HG22 VAL A 55 5.664 14.266 0.718 1.00 2.07 H new ATOM 0 HG23 VAL A 55 5.162 12.741 1.487 1.00 2.07 H new ATOM 833 N ALA A 56 4.268 15.818 5.369 1.00 2.43 N ATOM 834 CA ALA A 56 3.893 16.974 6.168 1.00 2.53 C ATOM 835 C ALA A 56 4.912 17.147 7.281 1.00 2.90 C ATOM 836 O ALA A 56 4.707 17.891 8.249 1.00 3.05 O ATOM 837 CB ALA A 56 2.474 16.812 6.690 1.00 2.36 C ATOM 0 H ALA A 56 4.070 14.914 5.797 1.00 2.43 H new ATOM 0 HA ALA A 56 3.898 17.880 5.562 1.00 2.53 H new ATOM 0 HB1 ALA A 56 2.204 17.683 7.287 1.00 2.36 H new ATOM 0 HB2 ALA A 56 1.786 16.720 5.850 1.00 2.36 H new ATOM 0 HB3 ALA A 56 2.414 15.916 7.308 1.00 2.36 H new ATOM 843 N ALA A 57 6.034 16.444 7.095 1.00 3.08 N ATOM 844 CA ALA A 57 7.138 16.465 8.029 1.00 3.45 C ATOM 845 C ALA A 57 8.216 17.436 7.598 1.00 3.67 C ATOM 846 O ALA A 57 8.634 17.462 6.438 1.00 3.69 O ATOM 847 CB ALA A 57 7.716 15.078 8.223 1.00 3.64 C ATOM 0 H ALA A 57 6.192 15.845 6.285 1.00 3.08 H new ATOM 0 HA ALA A 57 6.744 16.809 8.985 1.00 3.45 H new ATOM 0 HB1 ALA A 57 8.544 15.125 8.930 1.00 3.64 H new ATOM 0 HB2 ALA A 57 6.944 14.413 8.611 1.00 3.64 H new ATOM 0 HB3 ALA A 57 8.076 14.697 7.267 1.00 3.64 H new ATOM 853 N ASP A 58 8.655 18.203 8.595 1.00 3.94 N ATOM 854 CA ASP A 58 9.670 19.274 8.499 1.00 4.23 C ATOM 855 C ASP A 58 9.279 20.366 9.494 1.00 4.25 C ATOM 856 O ASP A 58 10.057 21.285 9.772 1.00 4.54 O ATOM 857 CB ASP A 58 9.783 19.896 7.088 1.00 4.40 C ATOM 858 CG ASP A 58 11.145 20.515 6.825 1.00 4.54 C ATOM 859 OD1 ASP A 58 12.039 19.796 6.331 1.00 4.74 O ATOM 860 OD2 ASP A 58 11.315 21.719 7.112 1.00 4.85 O ATOM 0 H ASP A 58 8.299 18.096 9.545 1.00 3.94 H new ATOM 0 HA ASP A 58 10.643 18.835 8.719 1.00 4.23 H new ATOM 0 HB2 ASP A 58 9.588 19.127 6.340 1.00 4.40 H new ATOM 0 HB3 ASP A 58 9.013 20.659 6.969 1.00 4.40 H new ATOM 865 N GLY A 59 8.052 20.234 10.025 1.00 4.05 N ATOM 866 CA GLY A 59 7.518 21.197 10.977 1.00 4.27 C ATOM 867 C GLY A 59 6.094 21.605 10.642 1.00 4.03 C ATOM 868 O GLY A 59 5.380 20.866 9.958 1.00 4.23 O ATOM 0 H GLY A 59 7.418 19.466 9.805 1.00 4.05 H new ATOM 0 HA2 GLY A 59 7.545 20.768 11.979 1.00 4.27 H new ATOM 0 HA3 GLY A 59 8.154 22.082 10.991 1.00 4.27 H new ATOM 872 N ASN A 60 5.686 22.798 11.132 1.00 3.90 N ATOM 873 CA ASN A 60 4.331 23.378 10.917 1.00 3.86 C ATOM 874 C ASN A 60 3.241 22.636 11.696 1.00 3.69 C ATOM 875 O ASN A 60 2.423 23.259 12.380 1.00 3.78 O ATOM 876 CB ASN A 60 3.958 23.460 9.421 1.00 3.90 C ATOM 877 CG ASN A 60 4.824 24.443 8.657 1.00 4.10 C ATOM 878 OD1 ASN A 60 4.499 25.626 8.555 1.00 4.42 O ATOM 879 ND2 ASN A 60 5.935 23.957 8.116 1.00 4.29 N ATOM 0 H ASN A 60 6.292 23.395 11.695 1.00 3.90 H new ATOM 0 HA ASN A 60 4.385 24.394 11.308 1.00 3.86 H new ATOM 0 HB2 ASN A 60 4.054 22.472 8.972 1.00 3.90 H new ATOM 0 HB3 ASN A 60 2.912 23.753 9.327 1.00 3.90 H new ATOM 0 HD21 ASN A 60 6.558 24.571 7.591 1.00 4.29 H new ATOM 0 HD22 ASN A 60 6.166 22.969 8.225 1.00 4.29 H new ATOM 886 N GLY A 61 3.251 21.317 11.579 1.00 3.52 N ATOM 887 CA GLY A 61 2.280 20.472 12.266 1.00 3.44 C ATOM 888 C GLY A 61 1.127 20.017 11.381 1.00 3.11 C ATOM 889 O GLY A 61 0.243 19.293 11.850 1.00 3.10 O ATOM 0 H GLY A 61 3.925 20.804 11.011 1.00 3.52 H new ATOM 0 HA2 GLY A 61 2.791 19.594 12.661 1.00 3.44 H new ATOM 0 HA3 GLY A 61 1.877 21.017 13.120 1.00 3.44 H new ATOM 893 N THR A 62 1.131 20.435 10.107 1.00 2.91 N ATOM 894 CA THR A 62 0.077 20.055 9.164 1.00 2.61 C ATOM 895 C THR A 62 0.641 19.655 7.792 1.00 2.41 C ATOM 896 O THR A 62 1.859 19.616 7.595 1.00 2.55 O ATOM 897 CB THR A 62 -0.992 21.163 9.012 1.00 2.62 C ATOM 898 OG1 THR A 62 -0.374 22.455 8.984 1.00 2.84 O ATOM 899 CG2 THR A 62 -1.994 21.090 10.157 1.00 2.75 C ATOM 0 H THR A 62 1.853 21.036 9.709 1.00 2.91 H new ATOM 0 HA THR A 62 -0.409 19.177 9.590 1.00 2.61 H new ATOM 0 HB THR A 62 -1.519 21.007 8.071 1.00 2.62 H new ATOM 0 HG1 THR A 62 -0.755 22.984 8.252 1.00 2.84 H new ATOM 0 HG21 THR A 62 -2.741 21.875 10.038 1.00 2.75 H new ATOM 0 HG22 THR A 62 -2.486 20.117 10.149 1.00 2.75 H new ATOM 0 HG23 THR A 62 -1.474 21.225 11.105 1.00 2.75 H new ATOM 907 N ILE A 63 -0.273 19.383 6.854 1.00 2.14 N ATOM 908 CA ILE A 63 0.043 18.917 5.510 1.00 1.93 C ATOM 909 C ILE A 63 -0.042 20.005 4.481 1.00 1.95 C ATOM 910 O ILE A 63 -1.004 20.748 4.450 1.00 1.99 O ATOM 911 CB ILE A 63 -0.984 17.925 4.946 1.00 1.63 C ATOM 912 CG1 ILE A 63 -2.182 17.670 5.885 1.00 1.70 C ATOM 913 CG2 ILE A 63 -0.384 16.610 4.434 1.00 1.51 C ATOM 914 CD1 ILE A 63 -1.873 16.833 7.108 1.00 1.95 C ATOM 0 H ILE A 63 -1.275 19.485 7.018 1.00 2.14 H new ATOM 0 HA ILE A 63 1.039 18.496 5.648 1.00 1.93 H new ATOM 0 HB ILE A 63 -1.373 18.440 4.068 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -2.578 18.631 6.212 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -2.971 17.177 5.317 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -1.181 15.970 4.054 1.00 1.51 H new ATOM 0 HG22 ILE A 63 0.325 16.821 3.633 1.00 1.51 H new ATOM 0 HG23 ILE A 63 0.131 16.103 5.250 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -2.778 16.711 7.703 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -1.509 15.854 6.796 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -1.110 17.331 7.706 1.00 1.95 H new ATOM 926 N ASP A 64 0.903 20.003 3.577 1.00 2.01 N ATOM 927 CA ASP A 64 0.912 20.933 2.476 1.00 2.12 C ATOM 928 C ASP A 64 0.353 20.219 1.232 1.00 1.86 C ATOM 929 O ASP A 64 0.326 18.985 1.194 1.00 1.62 O ATOM 930 CB ASP A 64 2.304 21.532 2.222 1.00 2.46 C ATOM 931 CG ASP A 64 3.383 20.499 1.915 1.00 2.46 C ATOM 932 OD1 ASP A 64 3.573 20.174 0.725 1.00 2.68 O ATOM 933 OD2 ASP A 64 4.034 20.020 2.868 1.00 2.74 O ATOM 0 H ASP A 64 1.691 19.355 3.583 1.00 2.01 H new ATOM 0 HA ASP A 64 0.277 21.784 2.724 1.00 2.12 H new ATOM 0 HB2 ASP A 64 2.239 22.232 1.389 1.00 2.46 H new ATOM 0 HB3 ASP A 64 2.605 22.106 3.098 1.00 2.46 H new ATOM 938 N PHE A 65 -0.079 20.980 0.224 1.00 1.97 N ATOM 939 CA PHE A 65 -0.697 20.390 -0.974 1.00 1.80 C ATOM 940 C PHE A 65 0.302 19.763 -1.998 1.00 1.83 C ATOM 941 O PHE A 65 0.032 18.660 -2.477 1.00 1.60 O ATOM 942 CB PHE A 65 -1.575 21.437 -1.686 1.00 2.04 C ATOM 943 CG PHE A 65 -2.542 20.861 -2.702 1.00 1.95 C ATOM 944 CD1 PHE A 65 -2.401 21.121 -4.055 1.00 2.40 C ATOM 945 CD2 PHE A 65 -3.591 20.064 -2.290 1.00 2.11 C ATOM 946 CE1 PHE A 65 -3.296 20.593 -4.968 1.00 2.45 C ATOM 947 CE2 PHE A 65 -4.490 19.532 -3.182 1.00 2.08 C ATOM 948 CZ PHE A 65 -4.343 19.799 -4.529 1.00 1.96 C ATOM 0 H PHE A 65 -0.015 21.998 0.209 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.296 19.559 -0.602 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -2.142 21.988 -0.936 1.00 2.04 H new ATOM 0 HB3 PHE A 65 -0.927 22.156 -2.187 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -1.586 21.741 -4.400 1.00 2.40 H new ATOM 0 HD2 PHE A 65 -3.708 19.853 -1.237 1.00 2.11 H new ATOM 0 HE1 PHE A 65 -3.179 20.799 -6.022 1.00 2.45 H new ATOM 0 HE2 PHE A 65 -5.303 18.912 -2.834 1.00 2.08 H new ATOM 0 HZ PHE A 65 -5.044 19.389 -5.240 1.00 1.96 H new ATOM 958 N PRO A 66 1.459 20.434 -2.352 1.00 2.16 N ATOM 959 CA PRO A 66 2.425 19.936 -3.381 1.00 2.30 C ATOM 960 C PRO A 66 2.740 18.419 -3.401 1.00 2.09 C ATOM 961 O PRO A 66 2.543 17.774 -4.433 1.00 2.04 O ATOM 962 CB PRO A 66 3.689 20.737 -3.065 1.00 2.67 C ATOM 963 CG PRO A 66 3.185 22.041 -2.571 1.00 2.78 C ATOM 964 CD PRO A 66 1.934 21.731 -1.790 1.00 2.48 C ATOM 0 HA PRO A 66 1.993 20.074 -4.372 1.00 2.30 H new ATOM 0 HB2 PRO A 66 4.299 20.236 -2.313 1.00 2.67 H new ATOM 0 HB3 PRO A 66 4.312 20.861 -3.950 1.00 2.67 H new ATOM 0 HG2 PRO A 66 3.926 22.533 -1.942 1.00 2.78 H new ATOM 0 HG3 PRO A 66 2.971 22.716 -3.399 1.00 2.78 H new ATOM 0 HD2 PRO A 66 2.141 21.650 -0.723 1.00 2.48 H new ATOM 0 HD3 PRO A 66 1.186 22.514 -1.911 1.00 2.48 H new ATOM 972 N GLU A 67 3.245 17.860 -2.292 1.00 2.04 N ATOM 973 CA GLU A 67 3.607 16.437 -2.241 1.00 1.95 C ATOM 974 C GLU A 67 2.493 15.517 -1.784 1.00 1.60 C ATOM 975 O GLU A 67 2.584 14.292 -1.912 1.00 1.59 O ATOM 976 CB GLU A 67 4.894 16.211 -1.444 1.00 2.24 C ATOM 977 CG GLU A 67 6.154 16.649 -2.176 1.00 2.61 C ATOM 978 CD GLU A 67 7.412 16.413 -1.364 1.00 3.15 C ATOM 979 OE1 GLU A 67 7.998 15.316 -1.484 1.00 3.47 O ATOM 980 OE2 GLU A 67 7.811 17.324 -0.609 1.00 3.66 O ATOM 0 H GLU A 67 3.411 18.368 -1.423 1.00 2.04 H new ATOM 0 HA GLU A 67 3.792 16.156 -3.278 1.00 1.95 H new ATOM 0 HB2 GLU A 67 4.826 16.753 -0.501 1.00 2.24 H new ATOM 0 HB3 GLU A 67 4.977 15.152 -1.198 1.00 2.24 H new ATOM 0 HG2 GLU A 67 6.228 16.108 -3.119 1.00 2.61 H new ATOM 0 HG3 GLU A 67 6.078 17.708 -2.421 1.00 2.61 H new ATOM 987 N PHE A 68 1.463 16.114 -1.252 1.00 1.40 N ATOM 988 CA PHE A 68 0.286 15.381 -0.755 1.00 1.10 C ATOM 989 C PHE A 68 -0.415 14.639 -1.924 1.00 0.99 C ATOM 990 O PHE A 68 -1.043 13.600 -1.707 1.00 0.94 O ATOM 991 CB PHE A 68 -0.628 16.360 0.022 1.00 1.04 C ATOM 992 CG PHE A 68 -2.041 15.922 0.328 1.00 0.89 C ATOM 993 CD1 PHE A 68 -2.325 15.018 1.351 1.00 1.36 C ATOM 994 CD2 PHE A 68 -3.100 16.496 -0.362 1.00 1.60 C ATOM 995 CE1 PHE A 68 -3.625 14.712 1.665 1.00 1.57 C ATOM 996 CE2 PHE A 68 -4.406 16.172 -0.057 1.00 1.57 C ATOM 997 CZ PHE A 68 -4.674 15.284 0.960 1.00 1.15 C ATOM 0 H PHE A 68 1.396 17.126 -1.141 1.00 1.40 H new ATOM 0 HA PHE A 68 0.577 14.601 -0.051 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -0.139 16.594 0.968 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -0.682 17.288 -0.547 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -1.517 14.556 1.899 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -2.899 17.207 -1.150 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -3.833 14.020 2.468 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -5.217 16.615 -0.616 1.00 1.57 H new ATOM 0 HZ PHE A 68 -5.695 15.034 1.208 1.00 1.15 H new ATOM 1007 N LEU A 69 -0.305 15.192 -3.158 1.00 1.15 N ATOM 1008 CA LEU A 69 -0.861 14.539 -4.367 1.00 1.24 C ATOM 1009 C LEU A 69 0.100 13.491 -4.921 1.00 1.42 C ATOM 1010 O LEU A 69 -0.330 12.457 -5.437 1.00 1.53 O ATOM 1011 CB LEU A 69 -1.195 15.508 -5.509 1.00 1.51 C ATOM 1012 CG LEU A 69 -1.498 16.950 -5.138 1.00 1.59 C ATOM 1013 CD1 LEU A 69 -0.269 17.791 -5.368 1.00 1.82 C ATOM 1014 CD2 LEU A 69 -2.645 17.471 -5.973 1.00 1.76 C ATOM 0 H LEU A 69 0.160 16.081 -3.340 1.00 1.15 H new ATOM 0 HA LEU A 69 -1.790 14.084 -4.023 1.00 1.24 H new ATOM 0 HB2 LEU A 69 -0.357 15.509 -6.206 1.00 1.51 H new ATOM 0 HB3 LEU A 69 -2.056 15.111 -6.047 1.00 1.51 H new ATOM 0 HG LEU A 69 -1.782 17.001 -4.087 1.00 1.59 H new ATOM 0 HD11 LEU A 69 -0.482 18.827 -5.103 1.00 1.82 H new ATOM 0 HD12 LEU A 69 0.548 17.419 -4.749 1.00 1.82 H new ATOM 0 HD13 LEU A 69 0.018 17.737 -6.418 1.00 1.82 H new ATOM 0 HD21 LEU A 69 -2.854 18.505 -5.699 1.00 1.76 H new ATOM 0 HD22 LEU A 69 -2.378 17.422 -7.029 1.00 1.76 H new ATOM 0 HD23 LEU A 69 -3.531 16.862 -5.794 1.00 1.76 H new ATOM 1026 N THR A 70 1.410 13.779 -4.830 1.00 1.58 N ATOM 1027 CA THR A 70 2.450 12.862 -5.342 1.00 1.88 C ATOM 1028 C THR A 70 2.408 11.523 -4.609 1.00 1.87 C ATOM 1029 O THR A 70 2.702 10.474 -5.188 1.00 2.04 O ATOM 1030 CB THR A 70 3.874 13.458 -5.239 1.00 2.19 C ATOM 1031 OG1 THR A 70 4.126 13.927 -3.913 1.00 2.14 O ATOM 1032 CG2 THR A 70 4.067 14.597 -6.232 1.00 2.80 C ATOM 0 H THR A 70 1.775 14.634 -4.410 1.00 1.58 H new ATOM 0 HA THR A 70 2.226 12.710 -6.398 1.00 1.88 H new ATOM 0 HB THR A 70 4.582 12.665 -5.480 1.00 2.19 H new ATOM 0 HG1 THR A 70 3.427 13.596 -3.311 1.00 2.14 H new ATOM 0 HG21 THR A 70 5.077 14.996 -6.136 1.00 2.80 H new ATOM 0 HG22 THR A 70 3.918 14.225 -7.246 1.00 2.80 H new ATOM 0 HG23 THR A 70 3.344 15.386 -6.025 1.00 2.80 H new ATOM 1040 N MET A 71 2.034 11.587 -3.327 1.00 1.77 N ATOM 1041 CA MET A 71 1.894 10.404 -2.475 1.00 1.91 C ATOM 1042 C MET A 71 0.533 9.725 -2.702 1.00 1.83 C ATOM 1043 O MET A 71 0.412 8.508 -2.571 1.00 2.06 O ATOM 1044 CB MET A 71 2.075 10.778 -0.988 1.00 2.01 C ATOM 1045 CG MET A 71 1.212 11.943 -0.502 1.00 2.31 C ATOM 1046 SD MET A 71 1.742 12.580 1.096 1.00 2.07 S ATOM 1047 CE MET A 71 0.863 11.502 2.219 1.00 1.57 C ATOM 0 H MET A 71 1.820 12.463 -2.851 1.00 1.77 H new ATOM 0 HA MET A 71 2.677 9.696 -2.747 1.00 1.91 H new ATOM 0 HB2 MET A 71 1.851 9.902 -0.379 1.00 2.01 H new ATOM 0 HB3 MET A 71 3.123 11.026 -0.817 1.00 2.01 H new ATOM 0 HG2 MET A 71 1.245 12.746 -1.238 1.00 2.31 H new ATOM 0 HG3 MET A 71 0.174 11.617 -0.433 1.00 2.31 H new ATOM 0 HE1 MET A 71 0.721 12.009 3.174 1.00 1.57 H new ATOM 0 HE2 MET A 71 -0.109 11.249 1.795 1.00 1.57 H new ATOM 0 HE3 MET A 71 1.440 10.590 2.374 1.00 1.57 H new ATOM 1057 N MET A 72 -0.468 10.546 -3.085 1.00 1.61 N ATOM 1058 CA MET A 72 -1.859 10.109 -3.331 1.00 1.69 C ATOM 1059 C MET A 72 -1.969 8.806 -4.143 1.00 1.97 C ATOM 1060 O MET A 72 -2.805 7.956 -3.829 1.00 2.17 O ATOM 1061 CB MET A 72 -2.630 11.235 -4.030 1.00 1.60 C ATOM 1062 CG MET A 72 -3.380 12.147 -3.071 1.00 1.46 C ATOM 1063 SD MET A 72 -4.850 11.372 -2.377 1.00 1.69 S ATOM 1064 CE MET A 72 -5.615 12.778 -1.572 1.00 1.53 C ATOM 0 H MET A 72 -0.331 11.546 -3.234 1.00 1.61 H new ATOM 0 HA MET A 72 -2.296 9.890 -2.357 1.00 1.69 H new ATOM 0 HB2 MET A 72 -1.932 11.833 -4.615 1.00 1.60 H new ATOM 0 HB3 MET A 72 -3.340 10.797 -4.731 1.00 1.60 H new ATOM 0 HG2 MET A 72 -2.713 12.442 -2.261 1.00 1.46 H new ATOM 0 HG3 MET A 72 -3.668 13.059 -3.594 1.00 1.46 H new ATOM 0 HE1 MET A 72 -6.697 12.720 -1.690 1.00 1.53 H new ATOM 0 HE2 MET A 72 -5.364 12.771 -0.511 1.00 1.53 H new ATOM 0 HE3 MET A 72 -5.250 13.700 -2.025 1.00 1.53 H new ATOM 1074 N ALA A 73 -1.118 8.650 -5.171 1.00 2.06 N ATOM 1075 CA ALA A 73 -1.118 7.446 -6.009 1.00 2.36 C ATOM 1076 C ALA A 73 -0.404 6.285 -5.331 1.00 2.55 C ATOM 1077 O ALA A 73 -0.770 5.125 -5.541 1.00 2.80 O ATOM 1078 CB ALA A 73 -0.513 7.735 -7.374 1.00 2.47 C ATOM 0 H ALA A 73 -0.422 9.345 -5.439 1.00 2.06 H new ATOM 0 HA ALA A 73 -2.157 7.149 -6.152 1.00 2.36 H new ATOM 0 HB1 ALA A 73 -0.524 6.827 -7.977 1.00 2.47 H new ATOM 0 HB2 ALA A 73 -1.095 8.509 -7.874 1.00 2.47 H new ATOM 0 HB3 ALA A 73 0.515 8.076 -7.252 1.00 2.47 H new ATOM 1084 N ARG A 74 0.616 6.599 -4.516 1.00 2.49 N ATOM 1085 CA ARG A 74 1.340 5.585 -3.747 1.00 2.74 C ATOM 1086 C ARG A 74 0.385 4.905 -2.768 1.00 2.80 C ATOM 1087 O ARG A 74 0.589 3.758 -2.360 1.00 3.08 O ATOM 1088 CB ARG A 74 2.500 6.233 -2.997 1.00 2.75 C ATOM 1089 CG ARG A 74 3.767 6.394 -3.836 1.00 2.90 C ATOM 1090 CD ARG A 74 3.714 7.611 -4.753 1.00 2.93 C ATOM 1091 NE ARG A 74 4.778 7.581 -5.764 1.00 3.02 N ATOM 1092 CZ ARG A 74 4.728 8.214 -6.945 1.00 3.34 C ATOM 1093 NH1 ARG A 74 3.668 8.941 -7.294 1.00 3.84 N ATOM 1094 NH2 ARG A 74 5.752 8.117 -7.783 1.00 3.53 N ATOM 0 H ARG A 74 0.955 7.551 -4.375 1.00 2.49 H new ATOM 0 HA ARG A 74 1.742 4.833 -4.426 1.00 2.74 H new ATOM 0 HB2 ARG A 74 2.186 7.214 -2.639 1.00 2.75 H new ATOM 0 HB3 ARG A 74 2.732 5.632 -2.118 1.00 2.75 H new ATOM 0 HG2 ARG A 74 4.628 6.481 -3.173 1.00 2.90 H new ATOM 0 HG3 ARG A 74 3.916 5.497 -4.437 1.00 2.90 H new ATOM 0 HD2 ARG A 74 2.744 7.651 -5.248 1.00 2.93 H new ATOM 0 HD3 ARG A 74 3.805 8.519 -4.157 1.00 2.93 H new ATOM 0 HE ARG A 74 5.616 7.039 -5.553 1.00 3.02 H new ATOM 0 HH11 ARG A 74 2.875 9.024 -6.658 1.00 3.84 H new ATOM 0 HH12 ARG A 74 3.650 9.415 -8.197 1.00 3.84 H new ATOM 0 HH21 ARG A 74 6.570 7.564 -7.527 1.00 3.53 H new ATOM 0 HH22 ARG A 74 5.721 8.596 -8.683 1.00 3.53 H new ATOM 1108 N LYS A 75 -0.660 5.660 -2.412 1.00 2.57 N ATOM 1109 CA LYS A 75 -1.728 5.195 -1.535 1.00 2.67 C ATOM 1110 C LYS A 75 -2.646 4.234 -2.257 1.00 2.87 C ATOM 1111 O LYS A 75 -3.235 3.350 -1.627 1.00 3.11 O ATOM 1112 CB LYS A 75 -2.541 6.370 -0.967 1.00 2.45 C ATOM 1113 CG LYS A 75 -1.966 7.012 0.293 1.00 2.47 C ATOM 1114 CD LYS A 75 -0.770 7.910 -0.012 1.00 2.50 C ATOM 1115 CE LYS A 75 0.522 7.307 0.505 1.00 2.43 C ATOM 1116 NZ LYS A 75 1.706 7.742 -0.282 1.00 3.05 N ATOM 0 H LYS A 75 -0.785 6.621 -2.731 1.00 2.57 H new ATOM 0 HA LYS A 75 -1.256 4.671 -0.704 1.00 2.67 H new ATOM 0 HB2 LYS A 75 -2.629 7.136 -1.738 1.00 2.45 H new ATOM 0 HB3 LYS A 75 -3.550 6.020 -0.749 1.00 2.45 H new ATOM 0 HG2 LYS A 75 -2.741 7.598 0.787 1.00 2.47 H new ATOM 0 HG3 LYS A 75 -1.663 6.231 0.991 1.00 2.47 H new ATOM 0 HD2 LYS A 75 -0.695 8.066 -1.088 1.00 2.50 H new ATOM 0 HD3 LYS A 75 -0.923 8.889 0.442 1.00 2.50 H new ATOM 0 HE2 LYS A 75 0.659 7.589 1.549 1.00 2.43 H new ATOM 0 HE3 LYS A 75 0.449 6.220 0.476 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 2.257 6.908 -0.570 1.00 3.05 H new ATOM 0 HZ2 LYS A 75 1.390 8.257 -1.128 1.00 3.05 H new ATOM 0 HZ3 LYS A 75 2.300 8.365 0.301 1.00 3.05 H new ATOM 1130 N MET A 76 -2.777 4.407 -3.577 1.00 2.81 N ATOM 1131 CA MET A 76 -3.585 3.486 -4.359 1.00 3.04 C ATOM 1132 C MET A 76 -2.762 2.293 -4.781 1.00 3.27 C ATOM 1133 O MET A 76 -3.194 1.415 -5.534 1.00 3.48 O ATOM 1134 CB MET A 76 -4.296 4.164 -5.535 1.00 2.98 C ATOM 1135 CG MET A 76 -5.684 4.683 -5.191 1.00 3.01 C ATOM 1136 SD MET A 76 -5.650 6.133 -4.120 1.00 2.99 S ATOM 1137 CE MET A 76 -5.393 7.439 -5.320 1.00 2.50 C ATOM 0 H MET A 76 -2.342 5.160 -4.110 1.00 2.81 H new ATOM 0 HA MET A 76 -4.389 3.126 -3.717 1.00 3.04 H new ATOM 0 HB2 MET A 76 -3.684 4.994 -5.889 1.00 2.98 H new ATOM 0 HB3 MET A 76 -4.377 3.454 -6.358 1.00 2.98 H new ATOM 0 HG2 MET A 76 -6.211 4.931 -6.112 1.00 3.01 H new ATOM 0 HG3 MET A 76 -6.251 3.891 -4.702 1.00 3.01 H new ATOM 0 HE1 MET A 76 -5.421 8.406 -4.817 1.00 2.50 H new ATOM 0 HE2 MET A 76 -4.423 7.307 -5.799 1.00 2.50 H new ATOM 0 HE3 MET A 76 -6.179 7.400 -6.074 1.00 2.50 H new ATOM 1147 N LYS A 77 -1.569 2.318 -4.252 1.00 3.25 N ATOM 1148 CA LYS A 77 -0.604 1.261 -4.380 1.00 3.50 C ATOM 1149 C LYS A 77 -0.492 0.661 -2.993 1.00 3.65 C ATOM 1150 O LYS A 77 0.194 -0.344 -2.779 1.00 3.90 O ATOM 1151 CB LYS A 77 0.751 1.775 -4.882 1.00 3.48 C ATOM 1152 CG LYS A 77 0.750 2.183 -6.348 1.00 3.51 C ATOM 1153 CD LYS A 77 2.126 2.646 -6.799 1.00 3.56 C ATOM 1154 CE LYS A 77 2.124 3.056 -8.263 1.00 3.75 C ATOM 1155 NZ LYS A 77 3.467 3.513 -8.715 1.00 4.00 N ATOM 0 H LYS A 77 -1.230 3.105 -3.699 1.00 3.25 H new ATOM 0 HA LYS A 77 -0.916 0.524 -5.120 1.00 3.50 H new ATOM 0 HB2 LYS A 77 1.051 2.631 -4.277 1.00 3.48 H new ATOM 0 HB3 LYS A 77 1.502 0.999 -4.731 1.00 3.48 H new ATOM 0 HG2 LYS A 77 0.430 1.340 -6.961 1.00 3.51 H new ATOM 0 HG3 LYS A 77 0.027 2.983 -6.503 1.00 3.51 H new ATOM 0 HD2 LYS A 77 2.447 3.487 -6.185 1.00 3.56 H new ATOM 0 HD3 LYS A 77 2.849 1.845 -6.645 1.00 3.56 H new ATOM 0 HE2 LYS A 77 1.803 2.213 -8.875 1.00 3.75 H new ATOM 0 HE3 LYS A 77 1.399 3.855 -8.415 1.00 3.75 H new ATOM 0 HZ1 LYS A 77 3.422 3.783 -9.718 1.00 4.00 H new ATOM 0 HZ2 LYS A 77 3.763 4.333 -8.148 1.00 4.00 H new ATOM 0 HZ3 LYS A 77 4.155 2.742 -8.595 1.00 4.00 H new ATOM 1169 N ASP A 78 -1.204 1.316 -2.040 1.00 3.51 N ATOM 1170 CA ASP A 78 -1.261 0.846 -0.664 1.00 3.68 C ATOM 1171 C ASP A 78 -2.502 -0.036 -0.507 1.00 3.85 C ATOM 1172 O ASP A 78 -2.523 -0.949 0.324 1.00 4.10 O ATOM 1173 CB ASP A 78 -1.290 2.026 0.319 1.00 3.50 C ATOM 1174 CG ASP A 78 -1.000 1.615 1.754 1.00 3.68 C ATOM 1175 OD1 ASP A 78 0.187 1.622 2.145 1.00 4.02 O ATOM 1176 OD2 ASP A 78 -1.959 1.288 2.484 1.00 3.89 O ATOM 0 H ASP A 78 -1.739 2.167 -2.215 1.00 3.51 H new ATOM 0 HA ASP A 78 -0.368 0.264 -0.435 1.00 3.68 H new ATOM 0 HB2 ASP A 78 -0.558 2.770 0.006 1.00 3.50 H new ATOM 0 HB3 ASP A 78 -2.269 2.504 0.275 1.00 3.50 H new ATOM 1181 N THR A 79 -3.533 0.255 -1.321 1.00 3.74 N ATOM 1182 CA THR A 79 -4.761 -0.517 -1.312 1.00 3.93 C ATOM 1183 C THR A 79 -4.911 -1.351 -2.588 1.00 3.95 C ATOM 1184 O THR A 79 -6.022 -1.737 -2.975 1.00 4.03 O ATOM 1185 CB THR A 79 -6.005 0.382 -1.105 1.00 3.88 C ATOM 1186 OG1 THR A 79 -6.056 1.394 -2.120 1.00 3.58 O ATOM 1187 CG2 THR A 79 -5.984 1.040 0.268 1.00 3.95 C ATOM 0 H THR A 79 -3.527 1.024 -1.991 1.00 3.74 H new ATOM 0 HA THR A 79 -4.695 -1.199 -0.465 1.00 3.93 H new ATOM 0 HB THR A 79 -6.891 -0.250 -1.173 1.00 3.88 H new ATOM 0 HG1 THR A 79 -6.847 1.956 -1.982 1.00 3.58 H new ATOM 0 HG21 THR A 79 -6.869 1.665 0.385 1.00 3.95 H new ATOM 0 HG22 THR A 79 -5.978 0.271 1.040 1.00 3.95 H new ATOM 0 HG23 THR A 79 -5.090 1.656 0.363 1.00 3.95 H new ATOM 1195 N ASP A 80 -3.773 -1.641 -3.216 1.00 3.93 N ATOM 1196 CA ASP A 80 -3.736 -2.438 -4.445 1.00 3.99 C ATOM 1197 C ASP A 80 -2.854 -3.683 -4.283 1.00 3.80 C ATOM 1198 O ASP A 80 -3.213 -4.762 -4.759 1.00 4.18 O ATOM 1199 CB ASP A 80 -3.232 -1.586 -5.616 1.00 4.25 C ATOM 1200 CG ASP A 80 -3.755 -2.064 -6.960 1.00 4.80 C ATOM 1201 OD1 ASP A 80 -4.831 -1.589 -7.382 1.00 5.12 O ATOM 1202 OD2 ASP A 80 -3.087 -2.911 -7.589 1.00 5.24 O ATOM 0 H ASP A 80 -2.856 -1.334 -2.892 1.00 3.93 H new ATOM 0 HA ASP A 80 -4.752 -2.771 -4.654 1.00 3.99 H new ATOM 0 HB2 ASP A 80 -3.533 -0.550 -5.462 1.00 4.25 H new ATOM 0 HB3 ASP A 80 -2.142 -1.602 -5.629 1.00 4.25 H new ATOM 1207 N SER A 81 -1.704 -3.522 -3.607 1.00 3.49 N ATOM 1208 CA SER A 81 -0.755 -4.618 -3.392 1.00 3.36 C ATOM 1209 C SER A 81 -1.196 -5.585 -2.290 1.00 2.88 C ATOM 1210 O SER A 81 -0.850 -6.770 -2.320 1.00 2.79 O ATOM 1211 CB SER A 81 0.633 -4.058 -3.070 1.00 3.71 C ATOM 1212 OG SER A 81 0.584 -3.164 -1.971 1.00 4.35 O ATOM 0 H SER A 81 -1.411 -2.634 -3.199 1.00 3.49 H new ATOM 0 HA SER A 81 -0.721 -5.189 -4.320 1.00 3.36 H new ATOM 0 HB2 SER A 81 1.315 -4.878 -2.845 1.00 3.71 H new ATOM 0 HB3 SER A 81 1.031 -3.542 -3.944 1.00 3.71 H new ATOM 0 HG SER A 81 0.455 -2.249 -2.299 1.00 4.35 H new ATOM 1218 N GLU A 82 -1.957 -5.065 -1.330 1.00 2.97 N ATOM 1219 CA GLU A 82 -2.461 -5.859 -0.194 1.00 3.25 C ATOM 1220 C GLU A 82 -3.742 -6.602 -0.542 1.00 3.85 C ATOM 1221 O GLU A 82 -4.045 -7.649 0.034 1.00 4.27 O ATOM 1222 CB GLU A 82 -2.705 -4.963 1.018 1.00 3.94 C ATOM 1223 CG GLU A 82 -1.433 -4.433 1.667 1.00 4.12 C ATOM 1224 CD GLU A 82 -1.715 -3.549 2.865 1.00 4.93 C ATOM 1225 OE1 GLU A 82 -1.794 -4.082 3.992 1.00 5.51 O ATOM 1226 OE2 GLU A 82 -1.856 -2.322 2.678 1.00 5.25 O ATOM 0 H GLU A 82 -2.245 -4.087 -1.310 1.00 2.97 H new ATOM 0 HA GLU A 82 -1.695 -6.597 0.044 1.00 3.25 H new ATOM 0 HB2 GLU A 82 -3.323 -4.119 0.713 1.00 3.94 H new ATOM 0 HB3 GLU A 82 -3.273 -5.522 1.761 1.00 3.94 H new ATOM 0 HG2 GLU A 82 -0.811 -5.272 1.978 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -0.861 -3.869 0.930 1.00 4.12 H new ATOM 1233 N GLU A 83 -4.495 -6.028 -1.466 1.00 4.18 N ATOM 1234 CA GLU A 83 -5.746 -6.622 -1.944 1.00 5.12 C ATOM 1235 C GLU A 83 -5.456 -7.756 -2.941 1.00 5.33 C ATOM 1236 O GLU A 83 -6.288 -8.643 -3.141 1.00 6.21 O ATOM 1237 CB GLU A 83 -6.623 -5.548 -2.600 1.00 5.53 C ATOM 1238 CG GLU A 83 -8.118 -5.816 -2.486 1.00 5.74 C ATOM 1239 CD GLU A 83 -8.955 -4.741 -3.151 1.00 6.48 C ATOM 1240 OE1 GLU A 83 -9.314 -3.760 -2.466 1.00 6.88 O ATOM 1241 OE2 GLU A 83 -9.252 -4.879 -4.356 1.00 6.89 O ATOM 0 H GLU A 83 -4.262 -5.139 -1.909 1.00 4.18 H new ATOM 0 HA GLU A 83 -6.281 -7.040 -1.092 1.00 5.12 H new ATOM 0 HB2 GLU A 83 -6.401 -4.583 -2.143 1.00 5.53 H new ATOM 0 HB3 GLU A 83 -6.357 -5.470 -3.654 1.00 5.53 H new ATOM 0 HG2 GLU A 83 -8.346 -6.781 -2.939 1.00 5.74 H new ATOM 0 HG3 GLU A 83 -8.392 -5.885 -1.433 1.00 5.74 H new ATOM 1248 N GLU A 84 -4.260 -7.707 -3.549 1.00 4.72 N ATOM 1249 CA GLU A 84 -3.830 -8.703 -4.535 1.00 5.16 C ATOM 1250 C GLU A 84 -3.221 -9.965 -3.903 1.00 4.87 C ATOM 1251 O GLU A 84 -3.244 -11.024 -4.532 1.00 5.53 O ATOM 1252 CB GLU A 84 -2.825 -8.086 -5.510 1.00 5.11 C ATOM 1253 CG GLU A 84 -3.463 -7.195 -6.566 1.00 5.77 C ATOM 1254 CD GLU A 84 -2.445 -6.600 -7.519 1.00 6.38 C ATOM 1255 OE1 GLU A 84 -1.934 -5.498 -7.230 1.00 6.86 O ATOM 1256 OE2 GLU A 84 -2.159 -7.237 -8.555 1.00 6.68 O ATOM 0 H GLU A 84 -3.569 -6.978 -3.370 1.00 4.72 H new ATOM 0 HA GLU A 84 -4.731 -9.013 -5.064 1.00 5.16 H new ATOM 0 HB2 GLU A 84 -2.097 -7.502 -4.946 1.00 5.11 H new ATOM 0 HB3 GLU A 84 -2.276 -8.886 -6.006 1.00 5.11 H new ATOM 0 HG2 GLU A 84 -4.191 -7.775 -7.133 1.00 5.77 H new ATOM 0 HG3 GLU A 84 -4.009 -6.390 -6.075 1.00 5.77 H new ATOM 1263 N ILE A 85 -2.675 -9.865 -2.669 1.00 3.98 N ATOM 1264 CA ILE A 85 -2.054 -11.029 -2.001 1.00 3.69 C ATOM 1265 C ILE A 85 -3.045 -12.110 -1.634 1.00 4.63 C ATOM 1266 O ILE A 85 -2.943 -13.238 -2.121 1.00 5.03 O ATOM 1267 CB ILE A 85 -1.181 -10.648 -0.776 1.00 2.77 C ATOM 1268 CG1 ILE A 85 -1.860 -9.628 0.152 1.00 3.16 C ATOM 1269 CG2 ILE A 85 0.144 -10.106 -1.265 1.00 1.99 C ATOM 1270 CD1 ILE A 85 -1.761 -9.979 1.623 1.00 3.97 C ATOM 0 H ILE A 85 -2.652 -9.003 -2.124 1.00 3.98 H new ATOM 0 HA ILE A 85 -1.386 -11.443 -2.757 1.00 3.69 H new ATOM 0 HB ILE A 85 -1.032 -11.551 -0.184 1.00 2.77 H new ATOM 0 HG12 ILE A 85 -1.410 -8.648 -0.009 1.00 3.16 H new ATOM 0 HG13 ILE A 85 -2.912 -9.545 -0.122 1.00 3.16 H new ATOM 0 HG21 ILE A 85 0.764 -9.836 -0.410 1.00 1.99 H new ATOM 0 HG22 ILE A 85 0.653 -10.868 -1.856 1.00 1.99 H new ATOM 0 HG23 ILE A 85 -0.029 -9.224 -1.881 1.00 1.99 H new ATOM 0 HD11 ILE A 85 -2.263 -9.213 2.214 1.00 3.97 H new ATOM 0 HD12 ILE A 85 -2.237 -10.944 1.800 1.00 3.97 H new ATOM 0 HD13 ILE A 85 -0.712 -10.033 1.914 1.00 3.97 H new ATOM 1282 N ARG A 86 -4.007 -11.759 -0.803 1.00 5.19 N ATOM 1283 CA ARG A 86 -5.065 -12.694 -0.391 1.00 6.32 C ATOM 1284 C ARG A 86 -5.782 -13.235 -1.609 1.00 7.11 C ATOM 1285 O ARG A 86 -6.395 -14.306 -1.567 1.00 7.98 O ATOM 1286 CB ARG A 86 -6.125 -11.995 0.442 1.00 6.99 C ATOM 1287 CG ARG A 86 -5.579 -11.175 1.609 1.00 7.36 C ATOM 1288 CD ARG A 86 -6.699 -10.558 2.431 1.00 8.25 C ATOM 1289 NE ARG A 86 -6.185 -9.797 3.576 1.00 8.76 N ATOM 1290 CZ ARG A 86 -6.938 -9.329 4.582 1.00 9.65 C ATOM 1291 NH1 ARG A 86 -8.254 -9.532 4.610 1.00 10.08 N ATOM 1292 NH2 ARG A 86 -6.365 -8.653 5.568 1.00 10.26 N ATOM 0 H ARG A 86 -4.088 -10.829 -0.391 1.00 5.19 H new ATOM 0 HA ARG A 86 -4.581 -13.484 0.183 1.00 6.32 H new ATOM 0 HB2 ARG A 86 -6.703 -11.338 -0.207 1.00 6.99 H new ATOM 0 HB3 ARG A 86 -6.814 -12.744 0.832 1.00 6.99 H new ATOM 0 HG2 ARG A 86 -4.967 -11.812 2.247 1.00 7.36 H new ATOM 0 HG3 ARG A 86 -4.929 -10.387 1.228 1.00 7.36 H new ATOM 0 HD2 ARG A 86 -7.295 -9.901 1.797 1.00 8.25 H new ATOM 0 HD3 ARG A 86 -7.363 -11.345 2.788 1.00 8.25 H new ATOM 0 HE ARG A 86 -5.183 -9.611 3.609 1.00 8.76 H new ATOM 0 HH11 ARG A 86 -8.706 -10.051 3.858 1.00 10.08 H new ATOM 0 HH12 ARG A 86 -8.810 -9.168 5.384 1.00 10.08 H new ATOM 0 HH21 ARG A 86 -5.358 -8.492 5.558 1.00 10.26 H new ATOM 0 HH22 ARG A 86 -6.931 -8.294 6.337 1.00 10.26 H new ATOM 1306 N GLU A 87 -5.685 -12.463 -2.696 1.00 6.95 N ATOM 1307 CA GLU A 87 -6.365 -12.809 -3.923 1.00 7.91 C ATOM 1308 C GLU A 87 -5.537 -13.754 -4.793 1.00 7.97 C ATOM 1309 O GLU A 87 -6.077 -14.616 -5.492 1.00 8.94 O ATOM 1310 CB GLU A 87 -6.750 -11.558 -4.715 1.00 8.02 C ATOM 1311 CG GLU A 87 -8.032 -10.900 -4.229 1.00 8.75 C ATOM 1312 CD GLU A 87 -8.518 -9.811 -5.165 1.00 9.11 C ATOM 1313 OE1 GLU A 87 -9.172 -10.145 -6.176 1.00 9.62 O ATOM 1314 OE2 GLU A 87 -8.248 -8.624 -4.888 1.00 9.05 O ATOM 0 H GLU A 87 -5.142 -11.601 -2.740 1.00 6.95 H new ATOM 0 HA GLU A 87 -7.276 -13.335 -3.638 1.00 7.91 H new ATOM 0 HB2 GLU A 87 -5.936 -10.836 -4.656 1.00 8.02 H new ATOM 0 HB3 GLU A 87 -6.864 -11.824 -5.766 1.00 8.02 H new ATOM 0 HG2 GLU A 87 -8.808 -11.658 -4.125 1.00 8.75 H new ATOM 0 HG3 GLU A 87 -7.866 -10.476 -3.239 1.00 8.75 H new ATOM 1321 N ALA A 88 -4.217 -13.565 -4.726 1.00 7.00 N ATOM 1322 CA ALA A 88 -3.249 -14.342 -5.506 1.00 7.06 C ATOM 1323 C ALA A 88 -2.933 -15.692 -4.866 1.00 7.01 C ATOM 1324 O ALA A 88 -2.924 -16.720 -5.535 1.00 7.73 O ATOM 1325 CB ALA A 88 -1.974 -13.557 -5.679 1.00 6.21 C ATOM 0 H ALA A 88 -3.786 -12.863 -4.124 1.00 7.00 H new ATOM 0 HA ALA A 88 -3.705 -14.536 -6.477 1.00 7.06 H new ATOM 0 HB1 ALA A 88 -1.262 -14.143 -6.260 1.00 6.21 H new ATOM 0 HB2 ALA A 88 -2.189 -12.625 -6.202 1.00 6.21 H new ATOM 0 HB3 ALA A 88 -1.548 -13.334 -4.701 1.00 6.21 H new ATOM 1331 N PHE A 89 -2.591 -15.663 -3.580 1.00 6.21 N ATOM 1332 CA PHE A 89 -2.311 -16.874 -2.795 1.00 6.21 C ATOM 1333 C PHE A 89 -3.410 -17.943 -2.890 1.00 7.49 C ATOM 1334 O PHE A 89 -3.172 -19.109 -2.572 1.00 7.70 O ATOM 1335 CB PHE A 89 -2.050 -16.465 -1.353 1.00 5.56 C ATOM 1336 CG PHE A 89 -0.704 -15.847 -1.221 1.00 4.24 C ATOM 1337 CD1 PHE A 89 -0.492 -14.507 -1.530 1.00 3.84 C ATOM 1338 CD2 PHE A 89 0.364 -16.623 -0.839 1.00 3.79 C ATOM 1339 CE1 PHE A 89 0.756 -13.971 -1.454 1.00 2.77 C ATOM 1340 CE2 PHE A 89 1.611 -16.090 -0.759 1.00 2.72 C ATOM 1341 CZ PHE A 89 1.816 -14.769 -1.067 1.00 1.93 C ATOM 0 H PHE A 89 -2.499 -14.799 -3.047 1.00 6.21 H new ATOM 0 HA PHE A 89 -1.427 -17.351 -3.219 1.00 6.21 H new ATOM 0 HB2 PHE A 89 -2.814 -15.760 -1.025 1.00 5.56 H new ATOM 0 HB3 PHE A 89 -2.121 -17.337 -0.703 1.00 5.56 H new ATOM 0 HD1 PHE A 89 -1.324 -13.888 -1.832 1.00 3.84 H new ATOM 0 HD2 PHE A 89 0.211 -17.665 -0.600 1.00 3.79 H new ATOM 0 HE1 PHE A 89 0.917 -12.930 -1.694 1.00 2.77 H new ATOM 0 HE2 PHE A 89 2.442 -16.707 -0.452 1.00 2.72 H new ATOM 0 HZ PHE A 89 2.810 -14.351 -1.007 1.00 1.93 H new ATOM 1351 N ARG A 90 -4.608 -17.534 -3.326 1.00 8.36 N ATOM 1352 CA ARG A 90 -5.727 -18.459 -3.513 1.00 9.63 C ATOM 1353 C ARG A 90 -5.610 -19.175 -4.870 1.00 10.20 C ATOM 1354 O ARG A 90 -6.303 -20.167 -5.115 1.00 11.20 O ATOM 1355 CB ARG A 90 -7.064 -17.714 -3.427 1.00 10.38 C ATOM 1356 CG ARG A 90 -7.437 -17.278 -2.014 1.00 10.73 C ATOM 1357 CD ARG A 90 -8.776 -16.555 -1.980 1.00 11.51 C ATOM 1358 NE ARG A 90 -9.911 -17.473 -2.144 1.00 12.01 N ATOM 1359 CZ ARG A 90 -11.200 -17.106 -2.122 1.00 12.77 C ATOM 1360 NH1 ARG A 90 -11.552 -15.834 -1.944 1.00 13.10 N ATOM 1361 NH2 ARG A 90 -12.145 -18.023 -2.281 1.00 13.29 N ATOM 0 H ARG A 90 -4.825 -16.564 -3.556 1.00 8.36 H new ATOM 0 HA ARG A 90 -5.691 -19.203 -2.717 1.00 9.63 H new ATOM 0 HB2 ARG A 90 -7.021 -16.834 -4.069 1.00 10.38 H new ATOM 0 HB3 ARG A 90 -7.853 -18.356 -3.819 1.00 10.38 H new ATOM 0 HG2 ARG A 90 -7.479 -18.152 -1.363 1.00 10.73 H new ATOM 0 HG3 ARG A 90 -6.660 -16.623 -1.619 1.00 10.73 H new ATOM 0 HD2 ARG A 90 -8.875 -16.024 -1.033 1.00 11.51 H new ATOM 0 HD3 ARG A 90 -8.801 -15.805 -2.771 1.00 11.51 H new ATOM 0 HE ARG A 90 -9.703 -18.462 -2.285 1.00 12.01 H new ATOM 0 HH11 ARG A 90 -10.835 -15.119 -1.821 1.00 13.10 H new ATOM 0 HH12 ARG A 90 -12.538 -15.575 -1.930 1.00 13.10 H new ATOM 0 HH21 ARG A 90 -11.889 -19.001 -2.419 1.00 13.29 H new ATOM 0 HH22 ARG A 90 -13.128 -17.751 -2.265 1.00 13.29 H new ATOM 1375 N VAL A 91 -4.723 -18.655 -5.741 1.00 9.66 N ATOM 1376 CA VAL A 91 -4.484 -19.203 -7.050 1.00 10.29 C ATOM 1377 C VAL A 91 -3.223 -20.060 -7.078 1.00 9.81 C ATOM 1378 O VAL A 91 -3.206 -21.149 -7.658 1.00 10.52 O ATOM 1379 CB VAL A 91 -4.294 -18.107 -8.114 1.00 10.33 C ATOM 1380 CG1 VAL A 91 -5.083 -18.419 -9.378 1.00 11.64 C ATOM 1381 CG2 VAL A 91 -4.618 -16.715 -7.598 1.00 9.85 C ATOM 0 H VAL A 91 -4.156 -17.833 -5.533 1.00 9.66 H new ATOM 0 HA VAL A 91 -5.367 -19.801 -7.275 1.00 10.29 H new ATOM 0 HB VAL A 91 -3.233 -18.106 -8.363 1.00 10.33 H new ATOM 0 HG11 VAL A 91 -4.927 -17.626 -10.109 1.00 11.64 H new ATOM 0 HG12 VAL A 91 -4.744 -19.368 -9.794 1.00 11.64 H new ATOM 0 HG13 VAL A 91 -6.144 -18.487 -9.137 1.00 11.64 H new ATOM 0 HG21 VAL A 91 -4.465 -15.987 -8.394 1.00 9.85 H new ATOM 0 HG22 VAL A 91 -5.657 -16.681 -7.271 1.00 9.85 H new ATOM 0 HG23 VAL A 91 -3.965 -16.477 -6.758 1.00 9.85 H new ATOM 1391 N PHE A 92 -2.177 -19.538 -6.437 1.00 8.63 N ATOM 1392 CA PHE A 92 -0.859 -20.183 -6.415 1.00 8.08 C ATOM 1393 C PHE A 92 -0.651 -21.143 -5.247 1.00 7.58 C ATOM 1394 O PHE A 92 0.096 -22.116 -5.381 1.00 7.57 O ATOM 1395 CB PHE A 92 0.228 -19.119 -6.291 1.00 7.14 C ATOM 1396 CG PHE A 92 0.259 -18.073 -7.369 1.00 7.60 C ATOM 1397 CD1 PHE A 92 -0.359 -16.845 -7.180 1.00 7.95 C ATOM 1398 CD2 PHE A 92 0.975 -18.288 -8.533 1.00 7.88 C ATOM 1399 CE1 PHE A 92 -0.266 -15.858 -8.135 1.00 8.45 C ATOM 1400 CE2 PHE A 92 1.060 -17.308 -9.500 1.00 8.39 C ATOM 1401 CZ PHE A 92 0.441 -16.088 -9.300 1.00 8.62 C ATOM 0 H PHE A 92 -2.216 -18.660 -5.920 1.00 8.63 H new ATOM 0 HA PHE A 92 -0.804 -20.750 -7.344 1.00 8.08 H new ATOM 0 HB2 PHE A 92 0.108 -18.618 -5.331 1.00 7.14 H new ATOM 0 HB3 PHE A 92 1.196 -19.619 -6.271 1.00 7.14 H new ATOM 0 HD1 PHE A 92 -0.919 -16.662 -6.275 1.00 7.95 H new ATOM 0 HD2 PHE A 92 1.473 -19.234 -8.686 1.00 7.88 H new ATOM 0 HE1 PHE A 92 -0.746 -14.904 -7.974 1.00 8.45 H new ATOM 0 HE2 PHE A 92 1.609 -17.493 -10.411 1.00 8.39 H new ATOM 0 HZ PHE A 92 0.510 -15.316 -10.053 1.00 8.62 H new ATOM 1411 N ALA A 93 -1.304 -20.879 -4.115 1.00 7.32 N ATOM 1412 CA ALA A 93 -1.148 -21.725 -2.937 1.00 7.11 C ATOM 1413 C ALA A 93 -2.332 -22.691 -2.783 1.00 8.33 C ATOM 1414 O ALA A 93 -3.284 -22.633 -3.568 1.00 8.83 O ATOM 1415 CB ALA A 93 -0.895 -20.862 -1.695 1.00 6.22 C ATOM 0 H ALA A 93 -1.941 -20.092 -3.991 1.00 7.32 H new ATOM 0 HA ALA A 93 -0.270 -22.358 -3.063 1.00 7.11 H new ATOM 0 HB1 ALA A 93 -0.780 -21.505 -0.822 1.00 6.22 H new ATOM 0 HB2 ALA A 93 0.014 -20.278 -1.837 1.00 6.22 H new ATOM 0 HB3 ALA A 93 -1.739 -20.189 -1.541 1.00 6.22 H new ATOM 1421 N LYS A 94 -2.259 -23.593 -1.770 1.00 8.92 N ATOM 1422 CA LYS A 94 -3.292 -24.623 -1.496 1.00 10.13 C ATOM 1423 C LYS A 94 -3.254 -25.753 -2.540 1.00 10.64 C ATOM 1424 O LYS A 94 -4.214 -25.969 -3.293 1.00 11.32 O ATOM 1425 CB LYS A 94 -4.711 -24.008 -1.385 1.00 10.90 C ATOM 1426 CG LYS A 94 -5.410 -24.274 -0.054 1.00 11.36 C ATOM 1427 CD LYS A 94 -4.842 -23.420 1.084 1.00 11.16 C ATOM 1428 CE LYS A 94 -4.037 -24.254 2.073 1.00 10.61 C ATOM 1429 NZ LYS A 94 -4.889 -25.213 2.835 1.00 11.01 N ATOM 0 H LYS A 94 -1.476 -23.625 -1.117 1.00 8.92 H new ATOM 0 HA LYS A 94 -3.054 -25.060 -0.526 1.00 10.13 H new ATOM 0 HB2 LYS A 94 -4.640 -22.931 -1.535 1.00 10.90 H new ATOM 0 HB3 LYS A 94 -5.329 -24.402 -2.192 1.00 10.90 H new ATOM 0 HG2 LYS A 94 -6.476 -24.072 -0.160 1.00 11.36 H new ATOM 0 HG3 LYS A 94 -5.310 -25.329 0.202 1.00 11.36 H new ATOM 0 HD2 LYS A 94 -4.208 -22.637 0.669 1.00 11.16 H new ATOM 0 HD3 LYS A 94 -5.659 -22.924 1.608 1.00 11.16 H new ATOM 0 HE2 LYS A 94 -3.266 -24.806 1.535 1.00 10.61 H new ATOM 0 HE3 LYS A 94 -3.527 -23.591 2.772 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 -4.386 -25.518 3.693 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 -5.780 -24.749 3.102 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 -5.095 -26.042 2.241 1.00 11.01 H new ATOM 1443 N ASP A 95 -2.117 -26.461 -2.578 1.00 10.41 N ATOM 1444 CA ASP A 95 -1.911 -27.566 -3.505 1.00 10.95 C ATOM 1445 C ASP A 95 -2.012 -28.931 -2.807 1.00 11.36 C ATOM 1446 O ASP A 95 -1.534 -29.951 -3.320 1.00 11.72 O ATOM 1447 CB ASP A 95 -0.568 -27.403 -4.234 1.00 10.75 C ATOM 1448 CG ASP A 95 -0.546 -28.089 -5.589 1.00 10.79 C ATOM 1449 OD1 ASP A 95 -0.166 -29.277 -5.647 1.00 11.08 O ATOM 1450 OD2 ASP A 95 -0.909 -27.437 -6.591 1.00 10.72 O ATOM 0 H ASP A 95 -1.321 -26.279 -1.967 1.00 10.41 H new ATOM 0 HA ASP A 95 -2.711 -27.537 -4.245 1.00 10.95 H new ATOM 0 HB2 ASP A 95 -0.358 -26.342 -4.366 1.00 10.75 H new ATOM 0 HB3 ASP A 95 0.229 -27.811 -3.613 1.00 10.75 H new ATOM 1455 N GLY A 96 -2.662 -28.929 -1.651 1.00 11.41 N ATOM 1456 CA GLY A 96 -2.832 -30.147 -0.863 1.00 11.89 C ATOM 1457 C GLY A 96 -1.958 -30.187 0.368 1.00 11.67 C ATOM 1458 O GLY A 96 -1.124 -29.299 0.571 1.00 11.82 O ATOM 0 H GLY A 96 -3.082 -28.097 -1.236 1.00 11.41 H new ATOM 0 HA2 GLY A 96 -3.876 -30.234 -0.562 1.00 11.89 H new ATOM 0 HA3 GLY A 96 -2.607 -31.011 -1.488 1.00 11.89 H new ATOM 1462 N ASN A 97 -2.151 -31.250 1.188 1.00 11.48 N ATOM 1463 CA ASN A 97 -1.390 -31.497 2.437 1.00 11.39 C ATOM 1464 C ASN A 97 -1.610 -30.448 3.528 1.00 11.24 C ATOM 1465 O ASN A 97 -1.521 -30.748 4.723 1.00 11.69 O ATOM 1466 CB ASN A 97 0.085 -31.573 2.101 1.00 10.47 C ATOM 1467 CG ASN A 97 0.795 -32.716 2.800 1.00 10.82 C ATOM 1468 OD1 ASN A 97 1.312 -32.557 3.906 1.00 11.12 O ATOM 1469 ND2 ASN A 97 0.825 -33.877 2.156 1.00 10.95 N ATOM 0 H ASN A 97 -2.849 -31.969 0.997 1.00 11.48 H new ATOM 0 HA ASN A 97 -1.761 -32.436 2.847 1.00 11.39 H new ATOM 0 HB2 ASN A 97 0.201 -31.686 1.023 1.00 10.47 H new ATOM 0 HB3 ASN A 97 0.563 -30.633 2.376 1.00 10.47 H new ATOM 0 HD21 ASN A 97 1.290 -34.682 2.577 1.00 10.95 H new ATOM 0 HD22 ASN A 97 0.383 -33.964 1.241 1.00 10.95 H new ATOM 1476 N GLY A 98 -1.895 -29.238 3.092 1.00 10.71 N ATOM 1477 CA GLY A 98 -2.102 -28.117 3.989 1.00 10.57 C ATOM 1478 C GLY A 98 -0.959 -27.121 3.908 1.00 9.35 C ATOM 1479 O GLY A 98 -0.844 -26.237 4.755 1.00 9.23 O ATOM 0 H GLY A 98 -1.990 -29.003 2.104 1.00 10.71 H new ATOM 0 HA2 GLY A 98 -3.039 -27.618 3.740 1.00 10.57 H new ATOM 0 HA3 GLY A 98 -2.197 -28.481 5.012 1.00 10.57 H new ATOM 1483 N TYR A 99 -0.080 -27.320 2.918 1.00 8.53 N ATOM 1484 CA TYR A 99 1.052 -26.445 2.673 1.00 7.35 C ATOM 1485 C TYR A 99 1.098 -26.015 1.196 1.00 6.60 C ATOM 1486 O TYR A 99 0.156 -26.249 0.433 1.00 6.68 O ATOM 1487 CB TYR A 99 2.375 -27.149 3.041 1.00 7.03 C ATOM 1488 CG TYR A 99 2.593 -27.389 4.516 1.00 7.42 C ATOM 1489 CD1 TYR A 99 1.912 -28.408 5.176 1.00 7.29 C ATOM 1490 CD2 TYR A 99 3.490 -26.608 5.249 1.00 8.16 C ATOM 1491 CE1 TYR A 99 2.112 -28.641 6.523 1.00 7.85 C ATOM 1492 CE2 TYR A 99 3.691 -26.840 6.597 1.00 8.71 C ATOM 1493 CZ TYR A 99 3.000 -27.854 7.228 1.00 8.53 C ATOM 1494 OH TYR A 99 3.201 -28.085 8.570 1.00 9.21 O ATOM 0 H TYR A 99 -0.143 -28.101 2.265 1.00 8.53 H new ATOM 0 HA TYR A 99 0.930 -25.561 3.299 1.00 7.35 H new ATOM 0 HB2 TYR A 99 2.412 -28.108 2.525 1.00 7.03 H new ATOM 0 HB3 TYR A 99 3.203 -26.550 2.661 1.00 7.03 H new ATOM 0 HD1 TYR A 99 1.217 -29.026 4.627 1.00 7.29 H new ATOM 0 HD2 TYR A 99 4.032 -25.814 4.757 1.00 8.16 H new ATOM 0 HE1 TYR A 99 1.576 -29.435 7.022 1.00 7.85 H new ATOM 0 HE2 TYR A 99 4.386 -26.230 7.154 1.00 8.71 H new ATOM 0 HH TYR A 99 3.857 -27.445 8.917 1.00 9.21 H new ATOM 1504 N ILE A 100 2.217 -25.381 0.824 1.00 6.19 N ATOM 1505 CA ILE A 100 2.500 -24.936 -0.543 1.00 5.73 C ATOM 1506 C ILE A 100 4.004 -24.678 -0.659 1.00 4.64 C ATOM 1507 O ILE A 100 4.600 -24.088 0.247 1.00 4.17 O ATOM 1508 CB ILE A 100 1.677 -23.667 -0.979 1.00 5.84 C ATOM 1509 CG1 ILE A 100 1.993 -23.273 -2.438 1.00 5.96 C ATOM 1510 CG2 ILE A 100 1.913 -22.475 -0.047 1.00 5.70 C ATOM 1511 CD1 ILE A 100 1.310 -24.142 -3.483 1.00 6.65 C ATOM 0 H ILE A 100 2.966 -25.159 1.480 1.00 6.19 H new ATOM 0 HA ILE A 100 2.186 -25.726 -1.226 1.00 5.73 H new ATOM 0 HB ILE A 100 0.624 -23.939 -0.908 1.00 5.84 H new ATOM 0 HG12 ILE A 100 1.696 -22.236 -2.594 1.00 5.96 H new ATOM 0 HG13 ILE A 100 3.071 -23.322 -2.590 1.00 5.96 H new ATOM 0 HG21 ILE A 100 1.324 -21.624 -0.389 1.00 5.70 H new ATOM 0 HG22 ILE A 100 1.613 -22.741 0.967 1.00 5.70 H new ATOM 0 HG23 ILE A 100 2.970 -22.211 -0.055 1.00 5.70 H new ATOM 0 HD11 ILE A 100 1.586 -23.797 -4.480 1.00 6.65 H new ATOM 0 HD12 ILE A 100 1.625 -25.178 -3.357 1.00 6.65 H new ATOM 0 HD13 ILE A 100 0.229 -24.075 -3.362 1.00 6.65 H new ATOM 1523 N SER A 101 4.612 -25.102 -1.773 1.00 4.56 N ATOM 1524 CA SER A 101 6.044 -24.917 -1.963 1.00 3.87 C ATOM 1525 C SER A 101 6.419 -23.456 -2.129 1.00 3.18 C ATOM 1526 O SER A 101 5.740 -22.688 -2.816 1.00 3.33 O ATOM 1527 CB SER A 101 6.579 -25.747 -3.124 1.00 4.59 C ATOM 1528 OG SER A 101 5.998 -25.360 -4.360 1.00 5.48 O ATOM 0 H SER A 101 4.136 -25.569 -2.545 1.00 4.56 H new ATOM 0 HA SER A 101 6.519 -25.276 -1.050 1.00 3.87 H new ATOM 0 HB2 SER A 101 7.662 -25.637 -3.181 1.00 4.59 H new ATOM 0 HB3 SER A 101 6.375 -26.802 -2.941 1.00 4.59 H new ATOM 0 HG SER A 101 6.366 -25.912 -5.081 1.00 5.48 H new ATOM 1534 N ALA A 102 7.524 -23.104 -1.475 1.00 2.74 N ATOM 1535 CA ALA A 102 8.071 -21.733 -1.482 1.00 2.63 C ATOM 1536 C ALA A 102 8.387 -21.190 -2.887 1.00 3.39 C ATOM 1537 O ALA A 102 8.525 -19.979 -3.060 1.00 3.61 O ATOM 1538 CB ALA A 102 9.325 -21.686 -0.626 1.00 3.06 C ATOM 0 H ALA A 102 8.074 -23.760 -0.920 1.00 2.74 H new ATOM 0 HA ALA A 102 7.291 -21.089 -1.075 1.00 2.63 H new ATOM 0 HB1 ALA A 102 9.731 -20.674 -0.630 1.00 3.06 H new ATOM 0 HB2 ALA A 102 9.079 -21.974 0.396 1.00 3.06 H new ATOM 0 HB3 ALA A 102 10.067 -22.376 -1.029 1.00 3.06 H new ATOM 1544 N ALA A 103 8.483 -22.089 -3.878 1.00 4.09 N ATOM 1545 CA ALA A 103 8.804 -21.721 -5.269 1.00 5.20 C ATOM 1546 C ALA A 103 7.713 -20.882 -5.960 1.00 5.47 C ATOM 1547 O ALA A 103 7.995 -20.213 -6.958 1.00 6.33 O ATOM 1548 CB ALA A 103 9.079 -22.977 -6.082 1.00 5.96 C ATOM 0 H ALA A 103 8.341 -23.090 -3.740 1.00 4.09 H new ATOM 0 HA ALA A 103 9.691 -21.090 -5.222 1.00 5.20 H new ATOM 0 HB1 ALA A 103 9.316 -22.701 -7.109 1.00 5.96 H new ATOM 0 HB2 ALA A 103 9.922 -23.515 -5.647 1.00 5.96 H new ATOM 0 HB3 ALA A 103 8.197 -23.617 -6.073 1.00 5.96 H new ATOM 1554 N GLU A 104 6.481 -20.918 -5.429 1.00 4.91 N ATOM 1555 CA GLU A 104 5.354 -20.172 -6.019 1.00 5.33 C ATOM 1556 C GLU A 104 5.313 -18.708 -5.558 1.00 4.76 C ATOM 1557 O GLU A 104 5.030 -17.818 -6.361 1.00 5.38 O ATOM 1558 CB GLU A 104 4.018 -20.853 -5.692 1.00 5.44 C ATOM 1559 CG GLU A 104 3.827 -22.218 -6.351 1.00 6.31 C ATOM 1560 CD GLU A 104 3.409 -22.120 -7.809 1.00 6.92 C ATOM 1561 OE1 GLU A 104 2.189 -22.073 -8.074 1.00 7.26 O ATOM 1562 OE2 GLU A 104 4.301 -22.089 -8.682 1.00 7.37 O ATOM 0 H GLU A 104 6.238 -21.453 -4.595 1.00 4.91 H new ATOM 0 HA GLU A 104 5.511 -20.177 -7.098 1.00 5.33 H new ATOM 0 HB2 GLU A 104 3.939 -20.971 -4.611 1.00 5.44 H new ATOM 0 HB3 GLU A 104 3.204 -20.197 -6.001 1.00 5.44 H new ATOM 0 HG2 GLU A 104 4.757 -22.782 -6.283 1.00 6.31 H new ATOM 0 HG3 GLU A 104 3.073 -22.779 -5.799 1.00 6.31 H new ATOM 1569 N LEU A 105 5.564 -18.476 -4.256 1.00 3.64 N ATOM 1570 CA LEU A 105 5.578 -17.130 -3.641 1.00 3.09 C ATOM 1571 C LEU A 105 6.319 -16.083 -4.430 1.00 4.03 C ATOM 1572 O LEU A 105 5.845 -14.953 -4.564 1.00 4.13 O ATOM 1573 CB LEU A 105 6.239 -17.185 -2.268 1.00 2.35 C ATOM 1574 CG LEU A 105 5.768 -18.309 -1.336 1.00 1.65 C ATOM 1575 CD1 LEU A 105 6.774 -18.547 -0.227 1.00 2.00 C ATOM 1576 CD2 LEU A 105 4.397 -17.983 -0.770 1.00 1.38 C ATOM 0 H LEU A 105 5.765 -19.224 -3.592 1.00 3.64 H new ATOM 0 HA LEU A 105 4.527 -16.843 -3.596 1.00 3.09 H new ATOM 0 HB2 LEU A 105 7.315 -17.285 -2.409 1.00 2.35 H new ATOM 0 HB3 LEU A 105 6.070 -16.231 -1.768 1.00 2.35 H new ATOM 0 HG LEU A 105 5.689 -19.229 -1.915 1.00 1.65 H new ATOM 0 HD11 LEU A 105 6.418 -19.348 0.421 1.00 2.00 H new ATOM 0 HD12 LEU A 105 7.733 -18.830 -0.660 1.00 2.00 H new ATOM 0 HD13 LEU A 105 6.894 -17.635 0.357 1.00 2.00 H new ATOM 0 HD21 LEU A 105 4.075 -18.789 -0.110 1.00 1.38 H new ATOM 0 HD22 LEU A 105 4.448 -17.051 -0.207 1.00 1.38 H new ATOM 0 HD23 LEU A 105 3.683 -17.875 -1.586 1.00 1.38 H new ATOM 1588 N ARG A 106 7.487 -16.451 -4.925 1.00 4.83 N ATOM 1589 CA ARG A 106 8.309 -15.523 -5.686 1.00 5.95 C ATOM 1590 C ARG A 106 7.602 -15.115 -6.961 1.00 6.65 C ATOM 1591 O ARG A 106 7.883 -14.076 -7.537 1.00 7.39 O ATOM 1592 CB ARG A 106 9.687 -16.105 -6.018 1.00 6.81 C ATOM 1593 CG ARG A 106 10.492 -16.597 -4.811 1.00 6.46 C ATOM 1594 CD ARG A 106 10.239 -18.062 -4.545 1.00 5.99 C ATOM 1595 NE ARG A 106 11.163 -18.611 -3.546 1.00 6.40 N ATOM 1596 CZ ARG A 106 11.874 -19.739 -3.698 1.00 6.89 C ATOM 1597 NH1 ARG A 106 11.788 -20.465 -4.811 1.00 7.08 N ATOM 1598 NH2 ARG A 106 12.679 -20.140 -2.724 1.00 7.37 N ATOM 0 H ARG A 106 7.888 -17.382 -4.815 1.00 4.83 H new ATOM 0 HA ARG A 106 8.465 -14.646 -5.058 1.00 5.95 H new ATOM 0 HB2 ARG A 106 9.556 -16.936 -6.711 1.00 6.81 H new ATOM 0 HB3 ARG A 106 10.270 -15.345 -6.538 1.00 6.81 H new ATOM 0 HG2 ARG A 106 11.555 -16.436 -4.990 1.00 6.46 H new ATOM 0 HG3 ARG A 106 10.225 -16.013 -3.930 1.00 6.46 H new ATOM 0 HD2 ARG A 106 9.213 -18.195 -4.201 1.00 5.99 H new ATOM 0 HD3 ARG A 106 10.338 -18.621 -5.475 1.00 5.99 H new ATOM 0 HE ARG A 106 11.273 -18.097 -2.672 1.00 6.40 H new ATOM 0 HH11 ARG A 106 11.173 -20.167 -5.568 1.00 7.08 H new ATOM 0 HH12 ARG A 106 12.337 -21.319 -4.906 1.00 7.08 H new ATOM 0 HH21 ARG A 106 12.755 -19.592 -1.867 1.00 7.37 H new ATOM 0 HH22 ARG A 106 13.223 -20.996 -2.832 1.00 7.37 H new ATOM 1612 N HIS A 107 6.715 -15.990 -7.399 1.00 6.60 N ATOM 1613 CA HIS A 107 5.873 -15.745 -8.544 1.00 7.43 C ATOM 1614 C HIS A 107 4.597 -15.019 -8.095 1.00 6.90 C ATOM 1615 O HIS A 107 3.918 -14.397 -8.915 1.00 7.61 O ATOM 1616 CB HIS A 107 5.519 -17.054 -9.259 1.00 8.00 C ATOM 1617 CG HIS A 107 6.678 -17.689 -9.965 1.00 8.87 C ATOM 1618 ND1 HIS A 107 7.699 -18.442 -9.492 1.00 9.79 N flip ATOM 1619 CD2 HIS A 107 6.881 -17.583 -11.325 1.00 9.07 C flip ATOM 1620 CE1 HIS A 107 8.490 -18.773 -10.564 1.00 10.41 C flip ATOM 1621 NE2 HIS A 107 7.975 -18.244 -11.658 1.00 10.03 N flip ATOM 0 H HIS A 107 6.561 -16.899 -6.962 1.00 6.60 H new ATOM 0 HA HIS A 107 6.418 -15.118 -9.250 1.00 7.43 H new ATOM 0 HB2 HIS A 107 5.119 -17.759 -8.530 1.00 8.00 H new ATOM 0 HB3 HIS A 107 4.727 -16.860 -9.982 1.00 8.00 H new ATOM 0 HD1 HIS A 107 7.852 -18.713 -8.521 1.00 9.79 H new ATOM 0 HD2 HIS A 107 6.245 -17.044 -12.011 1.00 9.07 H new ATOM 0 HE1 HIS A 107 9.389 -19.370 -10.519 1.00 10.41 H new ATOM 1630 N VAL A 108 4.277 -15.109 -6.776 1.00 5.69 N ATOM 1631 CA VAL A 108 3.093 -14.458 -6.220 1.00 5.20 C ATOM 1632 C VAL A 108 3.362 -13.015 -5.833 1.00 4.84 C ATOM 1633 O VAL A 108 2.762 -12.104 -6.397 1.00 5.36 O ATOM 1634 CB VAL A 108 2.543 -15.225 -4.977 1.00 4.27 C ATOM 1635 CG1 VAL A 108 1.239 -14.617 -4.484 1.00 4.16 C ATOM 1636 CG2 VAL A 108 2.386 -16.712 -5.244 1.00 4.80 C ATOM 0 H VAL A 108 4.829 -15.627 -6.093 1.00 5.69 H new ATOM 0 HA VAL A 108 2.344 -14.474 -7.011 1.00 5.20 H new ATOM 0 HB VAL A 108 3.285 -15.118 -4.186 1.00 4.27 H new ATOM 0 HG11 VAL A 108 0.882 -15.174 -3.618 1.00 4.16 H new ATOM 0 HG12 VAL A 108 1.406 -13.577 -4.203 1.00 4.16 H new ATOM 0 HG13 VAL A 108 0.493 -14.663 -5.277 1.00 4.16 H new ATOM 0 HG21 VAL A 108 2.001 -17.203 -4.351 1.00 4.80 H new ATOM 0 HG22 VAL A 108 1.690 -16.862 -6.069 1.00 4.80 H new ATOM 0 HG23 VAL A 108 3.355 -17.139 -5.504 1.00 4.80 H new ATOM 1646 N MET A 109 4.238 -12.822 -4.852 1.00 4.11 N ATOM 1647 CA MET A 109 4.629 -11.477 -4.412 1.00 4.08 C ATOM 1648 C MET A 109 5.118 -10.649 -5.591 1.00 5.33 C ATOM 1649 O MET A 109 4.907 -9.433 -5.630 1.00 5.53 O ATOM 1650 CB MET A 109 5.641 -11.542 -3.285 1.00 3.81 C ATOM 1651 CG MET A 109 4.955 -11.711 -1.928 1.00 2.70 C ATOM 1652 SD MET A 109 6.076 -11.550 -0.530 1.00 3.27 S ATOM 1653 CE MET A 109 6.975 -13.087 -0.652 1.00 3.46 C ATOM 0 H MET A 109 4.694 -13.579 -4.342 1.00 4.11 H new ATOM 0 HA MET A 109 3.751 -10.973 -4.009 1.00 4.08 H new ATOM 0 HB2 MET A 109 6.324 -12.374 -3.455 1.00 3.81 H new ATOM 0 HB3 MET A 109 6.241 -10.632 -3.280 1.00 3.81 H new ATOM 0 HG2 MET A 109 4.163 -10.968 -1.835 1.00 2.70 H new ATOM 0 HG3 MET A 109 4.479 -12.691 -1.890 1.00 2.70 H new ATOM 0 HE1 MET A 109 6.697 -13.738 0.177 1.00 3.46 H new ATOM 0 HE2 MET A 109 6.733 -13.576 -1.595 1.00 3.46 H new ATOM 0 HE3 MET A 109 8.046 -12.886 -0.612 1.00 3.46 H new ATOM 1663 N THR A 110 5.779 -11.319 -6.551 1.00 6.20 N ATOM 1664 CA THR A 110 6.177 -10.658 -7.797 1.00 7.45 C ATOM 1665 C THR A 110 4.922 -10.388 -8.661 1.00 7.80 C ATOM 1666 O THR A 110 4.890 -9.410 -9.412 1.00 8.54 O ATOM 1667 CB THR A 110 7.185 -11.510 -8.590 1.00 8.32 C ATOM 1668 OG1 THR A 110 8.329 -11.771 -7.770 1.00 8.16 O ATOM 1669 CG2 THR A 110 7.651 -10.823 -9.876 1.00 9.65 C ATOM 0 H THR A 110 6.044 -12.302 -6.487 1.00 6.20 H new ATOM 0 HA THR A 110 6.663 -9.716 -7.544 1.00 7.45 H new ATOM 0 HB THR A 110 6.679 -12.434 -8.869 1.00 8.32 H new ATOM 0 HG1 THR A 110 8.538 -12.728 -7.795 1.00 8.16 H new ATOM 0 HG21 THR A 110 8.360 -11.467 -10.396 1.00 9.65 H new ATOM 0 HG22 THR A 110 6.792 -10.635 -10.520 1.00 9.65 H new ATOM 0 HG23 THR A 110 8.133 -9.877 -9.629 1.00 9.65 H new ATOM 1677 N ASN A 111 3.893 -11.271 -8.554 1.00 7.42 N ATOM 1678 CA ASN A 111 2.632 -11.093 -9.306 1.00 8.00 C ATOM 1679 C ASN A 111 1.892 -9.803 -8.884 1.00 7.57 C ATOM 1680 O ASN A 111 1.376 -9.083 -9.744 1.00 8.26 O ATOM 1681 CB ASN A 111 1.717 -12.312 -9.126 1.00 7.98 C ATOM 1682 CG ASN A 111 0.765 -12.512 -10.294 1.00 9.16 C ATOM 1683 OD1 ASN A 111 1.086 -13.205 -11.259 1.00 9.84 O ATOM 1684 ND2 ASN A 111 -0.412 -11.903 -10.209 1.00 9.58 N ATOM 0 H ASN A 111 3.915 -12.101 -7.961 1.00 7.42 H new ATOM 0 HA ASN A 111 2.893 -10.999 -10.360 1.00 8.00 H new ATOM 0 HB2 ASN A 111 2.329 -13.206 -9.005 1.00 7.98 H new ATOM 0 HB3 ASN A 111 1.140 -12.195 -8.209 1.00 7.98 H new ATOM 0 HD21 ASN A 111 -1.092 -12.000 -10.963 1.00 9.58 H new ATOM 0 HD22 ASN A 111 -0.636 -11.338 -9.390 1.00 9.58 H new ATOM 1691 N LEU A 112 1.843 -9.520 -7.562 1.00 6.48 N ATOM 1692 CA LEU A 112 1.187 -8.306 -7.043 1.00 6.02 C ATOM 1693 C LEU A 112 2.045 -7.066 -7.295 1.00 6.50 C ATOM 1694 O LEU A 112 1.610 -6.116 -7.954 1.00 6.87 O ATOM 1695 CB LEU A 112 0.875 -8.385 -5.540 1.00 4.81 C ATOM 1696 CG LEU A 112 1.896 -9.122 -4.686 1.00 4.44 C ATOM 1697 CD1 LEU A 112 2.171 -8.371 -3.392 1.00 4.55 C ATOM 1698 CD2 LEU A 112 1.394 -10.520 -4.425 1.00 4.77 C ATOM 0 H LEU A 112 2.249 -10.116 -6.841 1.00 6.48 H new ATOM 0 HA LEU A 112 0.244 -8.231 -7.584 1.00 6.02 H new ATOM 0 HB2 LEU A 112 0.774 -7.370 -5.156 1.00 4.81 H new ATOM 0 HB3 LEU A 112 -0.093 -8.871 -5.415 1.00 4.81 H new ATOM 0 HG LEU A 112 2.845 -9.181 -5.219 1.00 4.44 H new ATOM 0 HD11 LEU A 112 2.904 -8.920 -2.801 1.00 4.55 H new ATOM 0 HD12 LEU A 112 2.560 -7.379 -3.623 1.00 4.55 H new ATOM 0 HD13 LEU A 112 1.246 -8.275 -2.824 1.00 4.55 H new ATOM 0 HD21 LEU A 112 2.118 -11.058 -3.813 1.00 4.77 H new ATOM 0 HD22 LEU A 112 0.440 -10.472 -3.900 1.00 4.77 H new ATOM 0 HD23 LEU A 112 1.261 -11.042 -5.373 1.00 4.77 H new ATOM 1710 N GLY A 113 3.270 -7.103 -6.754 1.00 6.67 N ATOM 1711 CA GLY A 113 4.207 -5.996 -6.898 1.00 7.40 C ATOM 1712 C GLY A 113 5.130 -6.154 -8.088 1.00 8.34 C ATOM 1713 O GLY A 113 5.714 -7.221 -8.290 1.00 8.64 O ATOM 0 H GLY A 113 3.629 -7.890 -6.214 1.00 6.67 H new ATOM 0 HA2 GLY A 113 3.649 -5.065 -6.999 1.00 7.40 H new ATOM 0 HA3 GLY A 113 4.804 -5.912 -5.990 1.00 7.40 H new ATOM 1717 N GLU A 114 5.263 -5.075 -8.867 1.00 8.94 N ATOM 1718 CA GLU A 114 6.122 -5.058 -10.060 1.00 10.00 C ATOM 1719 C GLU A 114 7.585 -4.829 -9.691 1.00 10.47 C ATOM 1720 O GLU A 114 8.493 -5.303 -10.379 1.00 11.33 O ATOM 1721 CB GLU A 114 5.666 -3.965 -11.027 1.00 10.43 C ATOM 1722 CG GLU A 114 4.348 -4.265 -11.727 1.00 10.39 C ATOM 1723 CD GLU A 114 3.930 -3.162 -12.679 1.00 11.02 C ATOM 1724 OE1 GLU A 114 4.318 -3.223 -13.865 1.00 11.20 O ATOM 1725 OE2 GLU A 114 3.215 -2.237 -12.240 1.00 11.47 O ATOM 0 H GLU A 114 4.782 -4.193 -8.691 1.00 8.94 H new ATOM 0 HA GLU A 114 6.035 -6.032 -10.541 1.00 10.00 H new ATOM 0 HB2 GLU A 114 5.569 -3.028 -10.479 1.00 10.43 H new ATOM 0 HB3 GLU A 114 6.439 -3.816 -11.780 1.00 10.43 H new ATOM 0 HG2 GLU A 114 4.438 -5.201 -12.278 1.00 10.39 H new ATOM 0 HG3 GLU A 114 3.568 -4.410 -10.979 1.00 10.39 H new ATOM 1732 N LYS A 115 7.786 -4.098 -8.596 1.00 10.04 N ATOM 1733 CA LYS A 115 9.125 -3.779 -8.084 1.00 10.61 C ATOM 1734 C LYS A 115 9.664 -4.890 -7.196 1.00 10.14 C ATOM 1735 O LYS A 115 10.870 -5.148 -7.149 1.00 10.70 O ATOM 1736 CB LYS A 115 9.106 -2.468 -7.286 1.00 11.03 C ATOM 1737 CG LYS A 115 8.023 -2.442 -6.201 1.00 10.36 C ATOM 1738 CD LYS A 115 6.999 -1.331 -6.431 1.00 10.71 C ATOM 1739 CE LYS A 115 6.095 -1.624 -7.626 1.00 10.61 C ATOM 1740 NZ LYS A 115 5.299 -0.432 -8.030 1.00 10.83 N ATOM 0 H LYS A 115 7.028 -3.708 -8.036 1.00 10.04 H new ATOM 0 HA LYS A 115 9.778 -3.672 -8.950 1.00 10.61 H new ATOM 0 HB2 LYS A 115 10.081 -2.317 -6.822 1.00 11.03 H new ATOM 0 HB3 LYS A 115 8.947 -1.635 -7.971 1.00 11.03 H new ATOM 0 HG2 LYS A 115 7.512 -3.405 -6.177 1.00 10.36 H new ATOM 0 HG3 LYS A 115 8.491 -2.305 -5.226 1.00 10.36 H new ATOM 0 HD2 LYS A 115 6.389 -1.210 -5.536 1.00 10.71 H new ATOM 0 HD3 LYS A 115 7.519 -0.387 -6.593 1.00 10.71 H new ATOM 0 HE2 LYS A 115 6.703 -1.956 -8.468 1.00 10.61 H new ATOM 0 HE3 LYS A 115 5.420 -2.443 -7.378 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 4.699 -0.675 -8.844 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 4.699 -0.130 -7.236 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 5.942 0.342 -8.292 1.00 10.83 H new ATOM 1754 N LEU A 116 8.732 -5.531 -6.502 1.00 9.19 N ATOM 1755 CA LEU A 116 9.027 -6.603 -5.564 1.00 8.69 C ATOM 1756 C LEU A 116 9.657 -7.819 -6.251 1.00 9.07 C ATOM 1757 O LEU A 116 9.073 -8.396 -7.175 1.00 9.05 O ATOM 1758 CB LEU A 116 7.745 -7.019 -4.855 1.00 7.40 C ATOM 1759 CG LEU A 116 7.445 -6.315 -3.520 1.00 6.84 C ATOM 1760 CD1 LEU A 116 6.999 -4.871 -3.735 1.00 6.44 C ATOM 1761 CD2 LEU A 116 6.381 -7.082 -2.748 1.00 6.43 C ATOM 0 H LEU A 116 7.738 -5.317 -6.577 1.00 9.19 H new ATOM 0 HA LEU A 116 9.753 -6.225 -4.844 1.00 8.69 H new ATOM 0 HB2 LEU A 116 6.908 -6.843 -5.530 1.00 7.40 H new ATOM 0 HB3 LEU A 116 7.787 -8.093 -4.673 1.00 7.40 H new ATOM 0 HG LEU A 116 8.367 -6.297 -2.939 1.00 6.84 H new ATOM 0 HD11 LEU A 116 6.796 -4.405 -2.771 1.00 6.44 H new ATOM 0 HD12 LEU A 116 7.788 -4.319 -4.246 1.00 6.44 H new ATOM 0 HD13 LEU A 116 6.094 -4.856 -4.343 1.00 6.44 H new ATOM 0 HD21 LEU A 116 6.178 -6.574 -1.805 1.00 6.43 H new ATOM 0 HD22 LEU A 116 5.466 -7.130 -3.339 1.00 6.43 H new ATOM 0 HD23 LEU A 116 6.736 -8.093 -2.546 1.00 6.43 H new ATOM 1773 N THR A 117 10.851 -8.186 -5.791 1.00 9.56 N ATOM 1774 CA THR A 117 11.585 -9.309 -6.334 1.00 10.01 C ATOM 1775 C THR A 117 11.619 -10.507 -5.423 1.00 9.24 C ATOM 1776 O THR A 117 10.979 -10.560 -4.374 1.00 8.29 O ATOM 1777 CB THR A 117 13.047 -8.963 -6.657 1.00 11.26 C ATOM 1778 OG1 THR A 117 13.622 -8.166 -5.613 1.00 11.46 O ATOM 1779 CG2 THR A 117 13.108 -8.236 -7.964 1.00 12.18 C ATOM 0 H THR A 117 11.331 -7.707 -5.029 1.00 9.56 H new ATOM 0 HA THR A 117 11.034 -9.551 -7.243 1.00 10.01 H new ATOM 0 HB THR A 117 13.623 -9.886 -6.731 1.00 11.26 H new ATOM 0 HG1 THR A 117 14.553 -7.957 -5.836 1.00 11.46 H new ATOM 0 HG21 THR A 117 14.144 -7.989 -8.195 1.00 12.18 H new ATOM 0 HG22 THR A 117 12.701 -8.870 -8.752 1.00 12.18 H new ATOM 0 HG23 THR A 117 12.523 -7.319 -7.898 1.00 12.18 H new ATOM 1787 N ASP A 118 12.381 -11.478 -5.900 1.00 9.74 N ATOM 1788 CA ASP A 118 12.644 -12.733 -5.222 1.00 9.28 C ATOM 1789 C ASP A 118 13.389 -12.528 -3.918 1.00 9.42 C ATOM 1790 O ASP A 118 13.256 -13.323 -2.985 1.00 8.80 O ATOM 1791 CB ASP A 118 13.472 -13.578 -6.163 1.00 10.08 C ATOM 1792 CG ASP A 118 12.627 -14.422 -7.098 1.00 9.81 C ATOM 1793 OD1 ASP A 118 12.586 -15.656 -6.909 1.00 9.86 O ATOM 1794 OD2 ASP A 118 12.008 -13.849 -8.018 1.00 9.76 O ATOM 0 H ASP A 118 12.850 -11.409 -6.803 1.00 9.74 H new ATOM 0 HA ASP A 118 11.701 -13.218 -4.970 1.00 9.28 H new ATOM 0 HB2 ASP A 118 14.119 -12.928 -6.753 1.00 10.08 H new ATOM 0 HB3 ASP A 118 14.122 -14.231 -5.580 1.00 10.08 H new ATOM 1799 N GLU A 119 14.172 -11.452 -3.871 1.00 10.37 N ATOM 1800 CA GLU A 119 14.922 -11.092 -2.672 1.00 10.83 C ATOM 1801 C GLU A 119 13.963 -10.698 -1.562 1.00 10.04 C ATOM 1802 O GLU A 119 14.308 -10.751 -0.380 1.00 10.27 O ATOM 1803 CB GLU A 119 15.933 -9.974 -2.948 1.00 12.10 C ATOM 1804 CG GLU A 119 17.133 -10.418 -3.771 1.00 13.08 C ATOM 1805 CD GLU A 119 18.116 -9.291 -4.022 1.00 14.16 C ATOM 1806 OE1 GLU A 119 17.966 -8.589 -5.044 1.00 14.50 O ATOM 1807 OE2 GLU A 119 19.035 -9.110 -3.196 1.00 14.78 O ATOM 0 H GLU A 119 14.303 -10.812 -4.654 1.00 10.37 H new ATOM 0 HA GLU A 119 15.493 -11.964 -2.354 1.00 10.83 H new ATOM 0 HB2 GLU A 119 15.428 -9.161 -3.470 1.00 12.10 H new ATOM 0 HB3 GLU A 119 16.285 -9.573 -1.998 1.00 12.10 H new ATOM 0 HG2 GLU A 119 17.642 -11.231 -3.254 1.00 13.08 H new ATOM 0 HG3 GLU A 119 16.788 -10.814 -4.726 1.00 13.08 H new ATOM 1814 N GLU A 120 12.748 -10.305 -1.971 1.00 9.24 N ATOM 1815 CA GLU A 120 11.676 -9.998 -1.034 1.00 8.40 C ATOM 1816 C GLU A 120 11.294 -11.312 -0.378 1.00 7.57 C ATOM 1817 O GLU A 120 11.097 -11.385 0.828 1.00 7.44 O ATOM 1818 CB GLU A 120 10.445 -9.398 -1.746 1.00 7.71 C ATOM 1819 CG GLU A 120 9.464 -8.658 -0.834 1.00 7.14 C ATOM 1820 CD GLU A 120 10.026 -7.370 -0.252 1.00 8.10 C ATOM 1821 OE1 GLU A 120 10.645 -7.428 0.831 1.00 8.52 O ATOM 1822 OE2 GLU A 120 9.845 -6.306 -0.882 1.00 8.58 O ATOM 0 H GLU A 120 12.490 -10.194 -2.952 1.00 9.24 H new ATOM 0 HA GLU A 120 12.014 -9.257 -0.310 1.00 8.40 H new ATOM 0 HB2 GLU A 120 10.791 -8.709 -2.517 1.00 7.71 H new ATOM 0 HB3 GLU A 120 9.910 -10.201 -2.253 1.00 7.71 H new ATOM 0 HG2 GLU A 120 8.560 -8.428 -1.398 1.00 7.14 H new ATOM 0 HG3 GLU A 120 9.171 -9.318 -0.018 1.00 7.14 H new ATOM 1829 N VAL A 121 11.264 -12.375 -1.198 1.00 7.19 N ATOM 1830 CA VAL A 121 10.930 -13.684 -0.730 1.00 6.42 C ATOM 1831 C VAL A 121 12.054 -14.269 0.127 1.00 7.15 C ATOM 1832 O VAL A 121 11.804 -14.709 1.245 1.00 6.95 O ATOM 1833 CB VAL A 121 10.593 -14.584 -1.935 1.00 5.97 C ATOM 1834 CG1 VAL A 121 10.090 -15.916 -1.467 1.00 5.00 C ATOM 1835 CG2 VAL A 121 9.553 -13.918 -2.835 1.00 5.72 C ATOM 0 H VAL A 121 11.473 -12.328 -2.195 1.00 7.19 H new ATOM 0 HA VAL A 121 10.052 -13.625 -0.087 1.00 6.42 H new ATOM 0 HB VAL A 121 11.505 -14.734 -2.513 1.00 5.97 H new ATOM 0 HG11 VAL A 121 9.856 -16.540 -2.329 1.00 5.00 H new ATOM 0 HG12 VAL A 121 10.856 -16.403 -0.864 1.00 5.00 H new ATOM 0 HG13 VAL A 121 9.191 -15.775 -0.867 1.00 5.00 H new ATOM 0 HG21 VAL A 121 9.330 -14.571 -3.679 1.00 5.72 H new ATOM 0 HG22 VAL A 121 8.641 -13.737 -2.266 1.00 5.72 H new ATOM 0 HG23 VAL A 121 9.944 -12.970 -3.203 1.00 5.72 H new ATOM 1845 N ASP A 122 13.285 -14.212 -0.386 1.00 8.17 N ATOM 1846 CA ASP A 122 14.475 -14.732 0.334 1.00 9.00 C ATOM 1847 C ASP A 122 14.670 -14.024 1.678 1.00 9.58 C ATOM 1848 O ASP A 122 15.278 -14.577 2.597 1.00 10.07 O ATOM 1849 CB ASP A 122 15.740 -14.589 -0.518 1.00 10.08 C ATOM 1850 CG ASP A 122 15.719 -15.471 -1.754 1.00 9.97 C ATOM 1851 OD1 ASP A 122 15.320 -14.977 -2.829 1.00 10.09 O ATOM 1852 OD2 ASP A 122 16.102 -16.655 -1.645 1.00 9.98 O ATOM 0 H ASP A 122 13.496 -13.811 -1.300 1.00 8.17 H new ATOM 0 HA ASP A 122 14.298 -15.790 0.525 1.00 9.00 H new ATOM 0 HB2 ASP A 122 15.852 -13.548 -0.822 1.00 10.08 H new ATOM 0 HB3 ASP A 122 16.611 -14.840 0.087 1.00 10.08 H new ATOM 1857 N GLU A 123 14.136 -12.800 1.767 1.00 9.61 N ATOM 1858 CA GLU A 123 14.195 -11.988 2.989 1.00 10.24 C ATOM 1859 C GLU A 123 13.198 -12.512 4.030 1.00 9.65 C ATOM 1860 O GLU A 123 13.504 -12.553 5.226 1.00 10.36 O ATOM 1861 CB GLU A 123 13.902 -10.517 2.676 1.00 10.45 C ATOM 1862 CG GLU A 123 15.143 -9.709 2.333 1.00 11.70 C ATOM 1863 CD GLU A 123 14.828 -8.258 2.028 1.00 11.94 C ATOM 1864 OE1 GLU A 123 14.577 -7.940 0.847 1.00 12.02 O ATOM 1865 OE2 GLU A 123 14.831 -7.439 2.972 1.00 12.16 O ATOM 0 H GLU A 123 13.651 -12.344 0.994 1.00 9.61 H new ATOM 0 HA GLU A 123 15.203 -12.063 3.398 1.00 10.24 H new ATOM 0 HB2 GLU A 123 13.202 -10.464 1.842 1.00 10.45 H new ATOM 0 HB3 GLU A 123 13.409 -10.063 3.535 1.00 10.45 H new ATOM 0 HG2 GLU A 123 15.845 -9.757 3.165 1.00 11.70 H new ATOM 0 HG3 GLU A 123 15.638 -10.158 1.472 1.00 11.70 H new ATOM 1872 N MET A 124 12.003 -12.907 3.555 1.00 8.45 N ATOM 1873 CA MET A 124 10.953 -13.461 4.416 1.00 7.91 C ATOM 1874 C MET A 124 11.119 -14.954 4.618 1.00 7.70 C ATOM 1875 O MET A 124 10.561 -15.522 5.562 1.00 7.76 O ATOM 1876 CB MET A 124 9.567 -13.163 3.843 1.00 6.78 C ATOM 1877 CG MET A 124 8.935 -11.903 4.414 1.00 6.98 C ATOM 1878 SD MET A 124 8.214 -10.837 3.153 1.00 6.62 S ATOM 1879 CE MET A 124 9.684 -10.040 2.525 1.00 7.40 C ATOM 0 H MET A 124 11.743 -12.850 2.570 1.00 8.45 H new ATOM 0 HA MET A 124 11.048 -12.977 5.388 1.00 7.91 H new ATOM 0 HB2 MET A 124 9.643 -13.064 2.760 1.00 6.78 H new ATOM 0 HB3 MET A 124 8.911 -14.011 4.040 1.00 6.78 H new ATOM 0 HG2 MET A 124 8.162 -12.184 5.129 1.00 6.98 H new ATOM 0 HG3 MET A 124 9.690 -11.343 4.965 1.00 6.98 H new ATOM 0 HE1 MET A 124 9.712 -9.006 2.868 1.00 7.40 H new ATOM 0 HE2 MET A 124 10.567 -10.566 2.888 1.00 7.40 H new ATOM 0 HE3 MET A 124 9.672 -10.061 1.435 1.00 7.40 H new ATOM 1889 N ILE A 125 11.885 -15.586 3.729 1.00 7.60 N ATOM 1890 CA ILE A 125 12.144 -17.011 3.809 1.00 7.41 C ATOM 1891 C ILE A 125 12.927 -17.370 5.070 1.00 8.49 C ATOM 1892 O ILE A 125 12.614 -18.350 5.742 1.00 8.45 O ATOM 1893 CB ILE A 125 12.862 -17.535 2.562 1.00 7.24 C ATOM 1894 CG1 ILE A 125 11.908 -17.529 1.370 1.00 6.16 C ATOM 1895 CG2 ILE A 125 13.338 -18.926 2.839 1.00 7.27 C ATOM 1896 CD1 ILE A 125 12.584 -17.607 0.039 1.00 6.48 C ATOM 0 H ILE A 125 12.337 -15.123 2.941 1.00 7.60 H new ATOM 0 HA ILE A 125 11.172 -17.501 3.862 1.00 7.41 H new ATOM 0 HB ILE A 125 13.712 -16.896 2.322 1.00 7.24 H new ATOM 0 HG12 ILE A 125 11.221 -18.370 1.465 1.00 6.16 H new ATOM 0 HG13 ILE A 125 11.306 -16.621 1.406 1.00 6.16 H new ATOM 0 HG21 ILE A 125 13.853 -19.316 1.961 1.00 7.27 H new ATOM 0 HG22 ILE A 125 14.024 -18.914 3.686 1.00 7.27 H new ATOM 0 HG23 ILE A 125 12.485 -19.563 3.072 1.00 7.27 H new ATOM 0 HD11 ILE A 125 11.833 -17.597 -0.751 1.00 6.48 H new ATOM 0 HD12 ILE A 125 13.249 -16.752 -0.082 1.00 6.48 H new ATOM 0 HD13 ILE A 125 13.163 -18.529 -0.022 1.00 6.48 H new ATOM 1908 N ARG A 126 13.970 -16.589 5.330 1.00 9.53 N ATOM 1909 CA ARG A 126 14.824 -16.732 6.534 1.00 10.70 C ATOM 1910 C ARG A 126 13.974 -16.955 7.791 1.00 10.89 C ATOM 1911 O ARG A 126 14.353 -17.733 8.671 1.00 11.45 O ATOM 1912 CB ARG A 126 15.694 -15.487 6.754 1.00 11.76 C ATOM 1913 CG ARG A 126 16.553 -15.090 5.562 1.00 12.03 C ATOM 1914 CD ARG A 126 16.386 -13.614 5.255 1.00 12.20 C ATOM 1915 NE ARG A 126 17.164 -13.201 4.083 1.00 12.92 N ATOM 1916 CZ ARG A 126 17.484 -11.933 3.786 1.00 13.50 C ATOM 1917 NH1 ARG A 126 17.101 -10.924 4.568 1.00 13.44 N ATOM 1918 NH2 ARG A 126 18.194 -11.674 2.696 1.00 14.26 N ATOM 0 H ARG A 126 14.260 -15.829 4.715 1.00 9.53 H new ATOM 0 HA ARG A 126 15.464 -17.598 6.362 1.00 10.70 H new ATOM 0 HB2 ARG A 126 15.046 -14.649 7.012 1.00 11.76 H new ATOM 0 HB3 ARG A 126 16.345 -15.662 7.611 1.00 11.76 H new ATOM 0 HG2 ARG A 126 17.600 -15.308 5.772 1.00 12.03 H new ATOM 0 HG3 ARG A 126 16.273 -15.683 4.691 1.00 12.03 H new ATOM 0 HD2 ARG A 126 15.332 -13.397 5.084 1.00 12.20 H new ATOM 0 HD3 ARG A 126 16.696 -13.027 6.120 1.00 12.20 H new ATOM 0 HE ARG A 126 17.485 -13.931 3.447 1.00 12.92 H new ATOM 0 HH11 ARG A 126 16.555 -11.110 5.409 1.00 13.44 H new ATOM 0 HH12 ARG A 126 17.354 -9.966 4.325 1.00 13.44 H new ATOM 0 HH21 ARG A 126 18.493 -12.437 2.089 1.00 14.26 H new ATOM 0 HH22 ARG A 126 18.441 -10.712 2.465 1.00 14.26 H new ATOM 1932 N GLU A 127 12.819 -16.259 7.860 1.00 10.50 N ATOM 1933 CA GLU A 127 11.891 -16.405 8.984 1.00 10.79 C ATOM 1934 C GLU A 127 11.065 -17.686 8.848 1.00 10.06 C ATOM 1935 O GLU A 127 10.679 -18.292 9.851 1.00 10.61 O ATOM 1936 CB GLU A 127 10.958 -15.200 9.063 1.00 10.70 C ATOM 1937 CG GLU A 127 11.588 -13.969 9.711 1.00 11.77 C ATOM 1938 CD GLU A 127 11.670 -14.069 11.225 1.00 12.85 C ATOM 1939 OE1 GLU A 127 12.699 -14.563 11.733 1.00 13.26 O ATOM 1940 OE2 GLU A 127 10.705 -13.654 11.901 1.00 13.42 O ATOM 0 H GLU A 127 12.514 -15.594 7.149 1.00 10.50 H new ATOM 0 HA GLU A 127 12.480 -16.464 9.899 1.00 10.79 H new ATOM 0 HB2 GLU A 127 10.630 -14.941 8.056 1.00 10.70 H new ATOM 0 HB3 GLU A 127 10.068 -15.479 9.626 1.00 10.70 H new ATOM 0 HG2 GLU A 127 12.590 -13.826 9.307 1.00 11.77 H new ATOM 0 HG3 GLU A 127 11.007 -13.087 9.442 1.00 11.77 H new ATOM 1947 N ALA A 128 10.803 -18.087 7.592 1.00 8.89 N ATOM 1948 CA ALA A 128 10.039 -19.303 7.293 1.00 8.16 C ATOM 1949 C ALA A 128 10.862 -20.582 7.474 1.00 8.57 C ATOM 1950 O ALA A 128 10.301 -21.652 7.728 1.00 8.66 O ATOM 1951 CB ALA A 128 9.566 -19.245 5.864 1.00 6.87 C ATOM 0 H ALA A 128 11.114 -17.579 6.764 1.00 8.89 H new ATOM 0 HA ALA A 128 9.206 -19.339 7.995 1.00 8.16 H new ATOM 0 HB1 ALA A 128 8.997 -20.145 5.632 1.00 6.87 H new ATOM 0 HB2 ALA A 128 8.932 -18.369 5.726 1.00 6.87 H new ATOM 0 HB3 ALA A 128 10.427 -19.179 5.198 1.00 6.87 H new ATOM 1957 N ALA A 129 12.196 -20.449 7.319 1.00 8.95 N ATOM 1958 CA ALA A 129 13.171 -21.561 7.409 1.00 9.43 C ATOM 1959 C ALA A 129 13.175 -22.358 6.102 1.00 8.51 C ATOM 1960 O ALA A 129 14.214 -22.478 5.448 1.00 8.76 O ATOM 1961 CB ALA A 129 12.932 -22.474 8.622 1.00 10.42 C ATOM 0 H ALA A 129 12.636 -19.550 7.124 1.00 8.95 H new ATOM 0 HA ALA A 129 14.156 -21.119 7.561 1.00 9.43 H new ATOM 0 HB1 ALA A 129 13.678 -23.269 8.632 1.00 10.42 H new ATOM 0 HB2 ALA A 129 13.012 -21.890 9.539 1.00 10.42 H new ATOM 0 HB3 ALA A 129 11.936 -22.912 8.557 1.00 10.42 H new ATOM 1967 N ILE A 130 11.988 -22.887 5.723 1.00 7.54 N ATOM 1968 CA ILE A 130 11.780 -23.660 4.473 1.00 6.69 C ATOM 1969 C ILE A 130 12.477 -25.030 4.472 1.00 6.68 C ATOM 1970 O ILE A 130 11.923 -26.012 3.976 1.00 6.97 O ATOM 1971 CB ILE A 130 12.167 -22.809 3.203 1.00 5.80 C ATOM 1972 CG1 ILE A 130 10.935 -22.541 2.323 1.00 5.43 C ATOM 1973 CG2 ILE A 130 13.276 -23.444 2.359 1.00 6.19 C ATOM 1974 CD1 ILE A 130 10.085 -21.366 2.776 1.00 4.53 C ATOM 0 H ILE A 130 11.139 -22.789 6.280 1.00 7.54 H new ATOM 0 HA ILE A 130 10.712 -23.875 4.427 1.00 6.69 H new ATOM 0 HB ILE A 130 12.557 -21.866 3.587 1.00 5.80 H new ATOM 0 HG12 ILE A 130 11.266 -22.361 1.300 1.00 5.43 H new ATOM 0 HG13 ILE A 130 10.315 -23.437 2.305 1.00 5.43 H new ATOM 0 HG21 ILE A 130 13.492 -22.806 1.502 1.00 6.19 H new ATOM 0 HG22 ILE A 130 14.176 -23.555 2.964 1.00 6.19 H new ATOM 0 HG23 ILE A 130 12.951 -24.424 2.009 1.00 6.19 H new ATOM 0 HD11 ILE A 130 9.238 -21.248 2.100 1.00 4.53 H new ATOM 0 HD12 ILE A 130 9.720 -21.549 3.787 1.00 4.53 H new ATOM 0 HD13 ILE A 130 10.686 -20.457 2.767 1.00 4.53 H new ATOM 1986 N ASP A 131 13.679 -25.069 5.037 1.00 6.58 N ATOM 1987 CA ASP A 131 14.510 -26.281 5.107 1.00 6.68 C ATOM 1988 C ASP A 131 13.784 -27.459 5.769 1.00 6.59 C ATOM 1989 O ASP A 131 12.858 -27.266 6.563 1.00 6.80 O ATOM 1990 CB ASP A 131 15.818 -25.974 5.851 1.00 7.70 C ATOM 1991 CG ASP A 131 16.966 -26.869 5.417 1.00 7.98 C ATOM 1992 OD1 ASP A 131 17.142 -27.946 6.025 1.00 8.18 O ATOM 1993 OD2 ASP A 131 17.688 -26.492 4.470 1.00 8.25 O ATOM 0 H ASP A 131 14.115 -24.253 5.467 1.00 6.58 H new ATOM 0 HA ASP A 131 14.730 -26.583 4.083 1.00 6.68 H new ATOM 0 HB2 ASP A 131 16.091 -24.932 5.682 1.00 7.70 H new ATOM 0 HB3 ASP A 131 15.657 -26.091 6.923 1.00 7.70 H new ATOM 1998 N GLY A 132 14.230 -28.672 5.421 1.00 6.49 N ATOM 1999 CA GLY A 132 13.627 -29.887 5.943 1.00 6.52 C ATOM 2000 C GLY A 132 12.681 -30.508 4.935 1.00 5.87 C ATOM 2001 O GLY A 132 12.778 -31.701 4.634 1.00 6.01 O ATOM 0 H GLY A 132 15.007 -28.830 4.779 1.00 6.49 H new ATOM 0 HA2 GLY A 132 14.408 -30.602 6.200 1.00 6.52 H new ATOM 0 HA3 GLY A 132 13.086 -29.661 6.862 1.00 6.52 H new ATOM 2005 N ASP A 133 11.765 -29.682 4.421 1.00 5.34 N ATOM 2006 CA ASP A 133 10.784 -30.106 3.429 1.00 4.95 C ATOM 2007 C ASP A 133 11.056 -29.375 2.144 1.00 4.57 C ATOM 2008 O ASP A 133 10.831 -29.885 1.042 1.00 4.65 O ATOM 2009 CB ASP A 133 9.392 -29.705 3.866 1.00 4.99 C ATOM 2010 CG ASP A 133 8.339 -30.742 3.525 1.00 5.63 C ATOM 2011 OD1 ASP A 133 7.993 -31.550 4.412 1.00 6.07 O ATOM 2012 OD2 ASP A 133 7.862 -30.746 2.371 1.00 5.97 O ATOM 0 H ASP A 133 11.686 -28.700 4.684 1.00 5.34 H new ATOM 0 HA ASP A 133 10.853 -31.187 3.310 1.00 4.95 H new ATOM 0 HB2 ASP A 133 9.391 -29.535 4.943 1.00 4.99 H new ATOM 0 HB3 ASP A 133 9.128 -28.759 3.394 1.00 4.99 H new ATOM 2017 N GLY A 134 11.551 -28.156 2.336 1.00 4.47 N ATOM 2018 CA GLY A 134 11.850 -27.279 1.256 1.00 4.33 C ATOM 2019 C GLY A 134 10.702 -26.338 0.893 1.00 3.73 C ATOM 2020 O GLY A 134 10.906 -25.360 0.168 1.00 3.75 O ATOM 0 H GLY A 134 11.750 -27.766 3.257 1.00 4.47 H new ATOM 0 HA2 GLY A 134 12.727 -26.685 1.514 1.00 4.33 H new ATOM 0 HA3 GLY A 134 12.113 -27.872 0.380 1.00 4.33 H new ATOM 2024 N GLN A 135 9.501 -26.643 1.400 1.00 3.55 N ATOM 2025 CA GLN A 135 8.303 -25.844 1.151 1.00 3.33 C ATOM 2026 C GLN A 135 7.857 -25.074 2.416 1.00 3.69 C ATOM 2027 O GLN A 135 8.581 -25.041 3.417 1.00 4.33 O ATOM 2028 CB GLN A 135 7.185 -26.762 0.637 1.00 3.82 C ATOM 2029 CG GLN A 135 6.853 -27.970 1.518 1.00 4.41 C ATOM 2030 CD GLN A 135 5.685 -28.776 0.984 1.00 5.26 C ATOM 2031 OE1 GLN A 135 4.531 -28.520 1.325 1.00 5.74 O ATOM 2032 NE2 GLN A 135 5.981 -29.758 0.140 1.00 5.78 N ATOM 0 H GLN A 135 9.336 -27.454 1.996 1.00 3.55 H new ATOM 0 HA GLN A 135 8.531 -25.094 0.393 1.00 3.33 H new ATOM 0 HB2 GLN A 135 6.280 -26.167 0.514 1.00 3.82 H new ATOM 0 HB3 GLN A 135 7.465 -27.124 -0.352 1.00 3.82 H new ATOM 0 HG2 GLN A 135 7.730 -28.613 1.592 1.00 4.41 H new ATOM 0 HG3 GLN A 135 6.623 -27.627 2.527 1.00 4.41 H new ATOM 0 HE21 GLN A 135 6.952 -29.935 -0.116 1.00 5.78 H new ATOM 0 HE22 GLN A 135 5.237 -30.335 -0.253 1.00 5.78 H new ATOM 2041 N VAL A 136 6.660 -24.462 2.349 1.00 3.59 N ATOM 2042 CA VAL A 136 6.080 -23.695 3.455 1.00 4.23 C ATOM 2043 C VAL A 136 4.547 -23.727 3.378 1.00 4.67 C ATOM 2044 O VAL A 136 3.971 -24.564 2.681 1.00 4.74 O ATOM 2045 CB VAL A 136 6.653 -22.231 3.484 1.00 4.02 C ATOM 2046 CG1 VAL A 136 6.110 -21.359 2.354 1.00 3.51 C ATOM 2047 CG2 VAL A 136 6.460 -21.552 4.844 1.00 5.08 C ATOM 0 H VAL A 136 6.068 -24.489 1.518 1.00 3.59 H new ATOM 0 HA VAL A 136 6.366 -24.159 4.399 1.00 4.23 H new ATOM 0 HB VAL A 136 7.725 -22.336 3.320 1.00 4.02 H new ATOM 0 HG11 VAL A 136 6.541 -20.360 2.426 1.00 3.51 H new ATOM 0 HG12 VAL A 136 6.376 -21.801 1.394 1.00 3.51 H new ATOM 0 HG13 VAL A 136 5.025 -21.293 2.435 1.00 3.51 H new ATOM 0 HG21 VAL A 136 6.873 -20.544 4.809 1.00 5.08 H new ATOM 0 HG22 VAL A 136 5.397 -21.500 5.077 1.00 5.08 H new ATOM 0 HG23 VAL A 136 6.973 -22.128 5.614 1.00 5.08 H new ATOM 2057 N ASN A 137 3.911 -22.832 4.121 1.00 5.28 N ATOM 2058 CA ASN A 137 2.452 -22.742 4.144 1.00 5.95 C ATOM 2059 C ASN A 137 1.961 -21.597 3.255 1.00 5.49 C ATOM 2060 O ASN A 137 2.732 -20.989 2.506 1.00 4.60 O ATOM 2061 CB ASN A 137 1.902 -22.586 5.577 1.00 7.18 C ATOM 2062 CG ASN A 137 2.326 -23.710 6.505 1.00 7.90 C ATOM 2063 OD1 ASN A 137 1.612 -24.700 6.663 1.00 8.11 O ATOM 2064 ND2 ASN A 137 3.493 -23.562 7.122 1.00 8.51 N ATOM 0 H ASN A 137 4.382 -22.154 4.719 1.00 5.28 H new ATOM 0 HA ASN A 137 2.069 -23.682 3.747 1.00 5.95 H new ATOM 0 HB2 ASN A 137 2.242 -21.636 5.989 1.00 7.18 H new ATOM 0 HB3 ASN A 137 0.813 -22.546 5.539 1.00 7.18 H new ATOM 0 HD21 ASN A 137 3.830 -24.286 7.757 1.00 8.51 H new ATOM 0 HD22 ASN A 137 4.052 -22.724 6.961 1.00 8.51 H new ATOM 2071 N TYR A 138 0.669 -21.326 3.367 1.00 6.22 N ATOM 2072 CA TYR A 138 -0.027 -20.307 2.592 1.00 6.03 C ATOM 2073 C TYR A 138 -0.183 -19.015 3.388 1.00 6.55 C ATOM 2074 O TYR A 138 0.050 -17.929 2.864 1.00 6.13 O ATOM 2075 CB TYR A 138 -1.417 -20.841 2.180 1.00 6.78 C ATOM 2076 CG TYR A 138 -2.009 -21.755 3.226 1.00 7.93 C ATOM 2077 CD1 TYR A 138 -3.201 -21.465 3.864 1.00 8.62 C ATOM 2078 CD2 TYR A 138 -1.317 -22.889 3.610 1.00 8.50 C ATOM 2079 CE1 TYR A 138 -3.681 -22.289 4.860 1.00 9.65 C ATOM 2080 CE2 TYR A 138 -1.775 -23.704 4.581 1.00 9.54 C ATOM 2081 CZ TYR A 138 -2.962 -23.413 5.220 1.00 10.06 C ATOM 2082 OH TYR A 138 -3.431 -24.243 6.212 1.00 11.13 O ATOM 0 H TYR A 138 0.059 -21.822 4.017 1.00 6.22 H new ATOM 0 HA TYR A 138 0.565 -20.084 1.704 1.00 6.03 H new ATOM 0 HB2 TYR A 138 -2.091 -20.002 2.010 1.00 6.78 H new ATOM 0 HB3 TYR A 138 -1.333 -21.379 1.236 1.00 6.78 H new ATOM 0 HD1 TYR A 138 -3.761 -20.586 3.580 1.00 8.62 H new ATOM 0 HD2 TYR A 138 -0.385 -23.128 3.119 1.00 8.50 H new ATOM 0 HE1 TYR A 138 -4.612 -22.058 5.355 1.00 9.65 H new ATOM 0 HE2 TYR A 138 -1.213 -24.584 4.858 1.00 9.54 H new ATOM 0 HH TYR A 138 -2.805 -24.986 6.339 1.00 11.13 H new ATOM 2092 N GLU A 139 -0.583 -19.156 4.661 1.00 7.59 N ATOM 2093 CA GLU A 139 -0.814 -18.009 5.548 1.00 8.39 C ATOM 2094 C GLU A 139 0.468 -17.501 6.215 1.00 8.26 C ATOM 2095 O GLU A 139 0.779 -16.313 6.136 1.00 8.61 O ATOM 2096 CB GLU A 139 -1.855 -18.363 6.619 1.00 9.64 C ATOM 2097 CG GLU A 139 -3.285 -18.391 6.100 1.00 10.21 C ATOM 2098 CD GLU A 139 -4.290 -18.745 7.180 1.00 11.39 C ATOM 2099 OE1 GLU A 139 -4.791 -17.819 7.851 1.00 11.90 O ATOM 2100 OE2 GLU A 139 -4.576 -19.948 7.352 1.00 11.94 O ATOM 0 H GLU A 139 -0.754 -20.061 5.100 1.00 7.59 H new ATOM 0 HA GLU A 139 -1.189 -17.201 4.920 1.00 8.39 H new ATOM 0 HB2 GLU A 139 -1.612 -19.339 7.040 1.00 9.64 H new ATOM 0 HB3 GLU A 139 -1.787 -17.639 7.431 1.00 9.64 H new ATOM 0 HG2 GLU A 139 -3.535 -17.416 5.682 1.00 10.21 H new ATOM 0 HG3 GLU A 139 -3.359 -19.115 5.288 1.00 10.21 H new ATOM 2107 N GLU A 140 1.217 -18.421 6.846 1.00 7.94 N ATOM 2108 CA GLU A 140 2.451 -18.094 7.592 1.00 8.10 C ATOM 2109 C GLU A 140 3.508 -17.326 6.783 1.00 7.13 C ATOM 2110 O GLU A 140 4.327 -16.617 7.377 1.00 7.54 O ATOM 2111 CB GLU A 140 3.083 -19.371 8.157 1.00 8.42 C ATOM 2112 CG GLU A 140 2.310 -19.980 9.318 1.00 9.47 C ATOM 2113 CD GLU A 140 2.971 -21.228 9.868 1.00 9.95 C ATOM 2114 OE1 GLU A 140 3.874 -21.096 10.721 1.00 10.29 O ATOM 2115 OE2 GLU A 140 2.583 -22.339 9.449 1.00 10.17 O ATOM 0 H GLU A 140 0.986 -19.415 6.855 1.00 7.94 H new ATOM 0 HA GLU A 140 2.131 -17.425 8.391 1.00 8.10 H new ATOM 0 HB2 GLU A 140 3.162 -20.109 7.359 1.00 8.42 H new ATOM 0 HB3 GLU A 140 4.098 -19.147 8.486 1.00 8.42 H new ATOM 0 HG2 GLU A 140 2.217 -19.242 10.114 1.00 9.47 H new ATOM 0 HG3 GLU A 140 1.300 -20.223 8.989 1.00 9.47 H new ATOM 2122 N PHE A 141 3.499 -17.456 5.447 1.00 5.98 N ATOM 2123 CA PHE A 141 4.486 -16.772 4.618 1.00 5.06 C ATOM 2124 C PHE A 141 4.092 -15.338 4.266 1.00 4.76 C ATOM 2125 O PHE A 141 4.922 -14.428 4.347 1.00 5.06 O ATOM 2126 CB PHE A 141 4.829 -17.576 3.362 1.00 3.97 C ATOM 2127 CG PHE A 141 6.240 -17.343 2.938 1.00 3.73 C ATOM 2128 CD1 PHE A 141 7.257 -18.186 3.360 1.00 3.83 C ATOM 2129 CD2 PHE A 141 6.546 -16.252 2.153 1.00 4.10 C ATOM 2130 CE1 PHE A 141 8.572 -17.928 3.005 1.00 4.24 C ATOM 2131 CE2 PHE A 141 7.844 -15.995 1.791 1.00 4.47 C ATOM 2132 CZ PHE A 141 8.851 -16.826 2.222 1.00 4.52 C ATOM 0 H PHE A 141 2.826 -18.022 4.930 1.00 5.98 H new ATOM 0 HA PHE A 141 5.385 -16.701 5.230 1.00 5.06 H new ATOM 0 HB2 PHE A 141 4.675 -18.638 3.554 1.00 3.97 H new ATOM 0 HB3 PHE A 141 4.153 -17.297 2.553 1.00 3.97 H new ATOM 0 HD1 PHE A 141 7.024 -19.048 3.968 1.00 3.83 H new ATOM 0 HD2 PHE A 141 5.757 -15.594 1.820 1.00 4.10 H new ATOM 0 HE1 PHE A 141 9.367 -18.580 3.336 1.00 4.24 H new ATOM 0 HE2 PHE A 141 8.074 -15.142 1.169 1.00 4.47 H new ATOM 0 HZ PHE A 141 9.873 -16.614 1.944 1.00 4.52 H new ATOM 2142 N VAL A 142 2.837 -15.146 3.877 1.00 4.40 N ATOM 2143 CA VAL A 142 2.315 -13.798 3.537 1.00 4.15 C ATOM 2144 C VAL A 142 2.120 -13.017 4.819 1.00 5.25 C ATOM 2145 O VAL A 142 2.235 -11.792 4.852 1.00 5.25 O ATOM 2146 CB VAL A 142 0.962 -13.799 2.782 1.00 4.09 C ATOM 2147 CG1 VAL A 142 0.948 -12.745 1.690 1.00 3.37 C ATOM 2148 CG2 VAL A 142 0.642 -15.156 2.207 1.00 3.96 C ATOM 0 H VAL A 142 2.152 -15.896 3.785 1.00 4.40 H new ATOM 0 HA VAL A 142 3.053 -13.353 2.869 1.00 4.15 H new ATOM 0 HB VAL A 142 0.188 -13.556 3.510 1.00 4.09 H new ATOM 0 HG11 VAL A 142 -0.013 -12.767 1.176 1.00 3.37 H new ATOM 0 HG12 VAL A 142 1.100 -11.761 2.132 1.00 3.37 H new ATOM 0 HG13 VAL A 142 1.746 -12.950 0.977 1.00 3.37 H new ATOM 0 HG21 VAL A 142 -0.314 -15.114 1.686 1.00 3.96 H new ATOM 0 HG22 VAL A 142 1.424 -15.448 1.507 1.00 3.96 H new ATOM 0 HG23 VAL A 142 0.584 -15.888 3.012 1.00 3.96 H new ATOM 2158 N GLN A 143 1.790 -13.754 5.876 1.00 6.26 N ATOM 2159 CA GLN A 143 1.633 -13.157 7.206 1.00 7.42 C ATOM 2160 C GLN A 143 2.942 -12.517 7.667 1.00 7.74 C ATOM 2161 O GLN A 143 2.931 -11.584 8.476 1.00 8.48 O ATOM 2162 CB GLN A 143 1.155 -14.189 8.230 1.00 8.47 C ATOM 2163 CG GLN A 143 -0.348 -14.415 8.211 1.00 9.24 C ATOM 2164 CD GLN A 143 -0.798 -15.432 9.242 1.00 10.23 C ATOM 2165 OE1 GLN A 143 -0.859 -16.630 8.964 1.00 10.70 O ATOM 2166 NE2 GLN A 143 -1.115 -14.958 10.441 1.00 10.74 N ATOM 0 H GLN A 143 1.626 -14.760 5.842 1.00 6.26 H new ATOM 0 HA GLN A 143 0.871 -12.381 7.131 1.00 7.42 H new ATOM 0 HB2 GLN A 143 1.659 -15.137 8.040 1.00 8.47 H new ATOM 0 HB3 GLN A 143 1.452 -13.864 9.227 1.00 8.47 H new ATOM 0 HG2 GLN A 143 -0.856 -13.468 8.394 1.00 9.24 H new ATOM 0 HG3 GLN A 143 -0.649 -14.752 7.219 1.00 9.24 H new ATOM 0 HE21 GLN A 143 -1.050 -13.957 10.627 1.00 10.74 H new ATOM 0 HE22 GLN A 143 -1.424 -15.595 11.176 1.00 10.74 H new ATOM 2175 N MET A 144 4.068 -13.031 7.144 1.00 7.32 N ATOM 2176 CA MET A 144 5.380 -12.489 7.472 1.00 7.88 C ATOM 2177 C MET A 144 5.785 -11.347 6.556 1.00 7.37 C ATOM 2178 O MET A 144 6.807 -10.686 6.770 1.00 8.01 O ATOM 2179 CB MET A 144 6.449 -13.586 7.504 1.00 8.04 C ATOM 2180 CG MET A 144 7.300 -13.599 8.773 1.00 9.33 C ATOM 2181 SD MET A 144 8.083 -12.009 9.150 1.00 9.76 S ATOM 2182 CE MET A 144 9.365 -11.907 7.898 1.00 9.64 C ATOM 0 H MET A 144 4.087 -13.818 6.496 1.00 7.32 H new ATOM 0 HA MET A 144 5.301 -12.071 8.476 1.00 7.88 H new ATOM 0 HB2 MET A 144 5.961 -14.555 7.398 1.00 8.04 H new ATOM 0 HB3 MET A 144 7.105 -13.463 6.642 1.00 8.04 H new ATOM 0 HG2 MET A 144 6.674 -13.893 9.615 1.00 9.33 H new ATOM 0 HG3 MET A 144 8.075 -14.359 8.671 1.00 9.33 H new ATOM 0 HE1 MET A 144 10.277 -11.510 8.343 1.00 9.64 H new ATOM 0 HE2 MET A 144 9.560 -12.901 7.495 1.00 9.64 H new ATOM 0 HE3 MET A 144 9.037 -11.248 7.094 1.00 9.64 H new ATOM 2192 N MET A 145 4.965 -11.125 5.552 1.00 6.37 N ATOM 2193 CA MET A 145 5.169 -10.018 4.612 1.00 5.88 C ATOM 2194 C MET A 145 4.289 -8.850 5.050 1.00 6.25 C ATOM 2195 O MET A 145 4.500 -7.699 4.656 1.00 6.33 O ATOM 2196 CB MET A 145 4.955 -10.410 3.129 1.00 4.66 C ATOM 2197 CG MET A 145 3.521 -10.675 2.713 1.00 3.68 C ATOM 2198 SD MET A 145 2.587 -9.169 2.373 1.00 3.52 S ATOM 2199 CE MET A 145 2.855 -8.991 0.614 1.00 3.45 C ATOM 0 H MET A 145 4.142 -11.695 5.356 1.00 6.37 H new ATOM 0 HA MET A 145 6.217 -9.720 4.648 1.00 5.88 H new ATOM 0 HB2 MET A 145 5.353 -9.612 2.502 1.00 4.66 H new ATOM 0 HB3 MET A 145 5.544 -11.303 2.921 1.00 4.66 H new ATOM 0 HG2 MET A 145 3.518 -11.305 1.823 1.00 3.68 H new ATOM 0 HG3 MET A 145 3.019 -11.236 3.501 1.00 3.68 H new ATOM 0 HE1 MET A 145 2.106 -8.317 0.198 1.00 3.45 H new ATOM 0 HE2 MET A 145 3.850 -8.582 0.437 1.00 3.45 H new ATOM 0 HE3 MET A 145 2.772 -9.966 0.133 1.00 3.45 H new ATOM 2209 N THR A 146 3.294 -9.197 5.880 1.00 6.65 N ATOM 2210 CA THR A 146 2.369 -8.241 6.464 1.00 7.20 C ATOM 2211 C THR A 146 2.909 -7.798 7.833 1.00 8.45 C ATOM 2212 O THR A 146 2.572 -6.714 8.317 1.00 8.99 O ATOM 2213 CB THR A 146 0.956 -8.857 6.629 1.00 7.31 C ATOM 2214 OG1 THR A 146 0.646 -9.689 5.503 1.00 6.44 O ATOM 2215 CG2 THR A 146 -0.117 -7.776 6.756 1.00 7.72 C ATOM 0 H THR A 146 3.115 -10.161 6.161 1.00 6.65 H new ATOM 0 HA THR A 146 2.283 -7.382 5.798 1.00 7.20 H new ATOM 0 HB THR A 146 0.964 -9.450 7.543 1.00 7.31 H new ATOM 0 HG1 THR A 146 1.225 -10.479 5.511 1.00 6.44 H new ATOM 0 HG21 THR A 146 -1.094 -8.245 6.870 1.00 7.72 H new ATOM 0 HG22 THR A 146 0.092 -7.156 7.628 1.00 7.72 H new ATOM 0 HG23 THR A 146 -0.115 -7.155 5.861 1.00 7.72 H new ATOM 2223 N ALA A 147 3.753 -8.658 8.448 1.00 8.92 N ATOM 2224 CA ALA A 147 4.362 -8.363 9.745 1.00 10.15 C ATOM 2225 C ALA A 147 5.698 -7.634 9.580 1.00 10.43 C ATOM 2226 O ALA A 147 6.034 -6.758 10.382 1.00 11.37 O ATOM 2227 CB ALA A 147 4.555 -9.645 10.540 1.00 10.68 C ATOM 0 H ALA A 147 4.022 -9.561 8.058 1.00 8.92 H new ATOM 0 HA ALA A 147 3.686 -7.705 10.291 1.00 10.15 H new ATOM 0 HB1 ALA A 147 5.009 -9.411 11.503 1.00 10.68 H new ATOM 0 HB2 ALA A 147 3.588 -10.122 10.701 1.00 10.68 H new ATOM 0 HB3 ALA A 147 5.206 -10.322 9.987 1.00 10.68 H new ATOM 2233 N LYS A 148 6.454 -8.005 8.532 1.00 9.72 N ATOM 2234 CA LYS A 148 7.747 -7.400 8.244 1.00 10.13 C ATOM 2235 C LYS A 148 7.912 -7.161 6.744 1.00 9.70 C ATOM 2236 O LYS A 148 8.064 -5.986 6.349 1.00 9.60 O ATOM 2237 CB LYS A 148 8.903 -8.270 8.774 1.00 10.60 C ATOM 2238 CG LYS A 148 9.104 -8.197 10.286 1.00 11.38 C ATOM 2239 CD LYS A 148 8.309 -9.270 11.017 1.00 11.36 C ATOM 2240 CE LYS A 148 8.541 -9.209 12.518 1.00 12.34 C ATOM 2241 NZ LYS A 148 7.787 -10.271 13.240 1.00 12.59 N ATOM 2242 OXT LYS A 148 7.876 -8.147 5.975 1.00 9.69 O ATOM 0 H LYS A 148 6.179 -8.730 7.869 1.00 9.72 H new ATOM 0 HA LYS A 148 7.782 -6.439 8.757 1.00 10.13 H new ATOM 0 HB2 LYS A 148 8.719 -9.307 8.494 1.00 10.60 H new ATOM 0 HB3 LYS A 148 9.826 -7.965 8.282 1.00 10.60 H new ATOM 0 HG2 LYS A 148 10.163 -8.309 10.517 1.00 11.38 H new ATOM 0 HG3 LYS A 148 8.802 -7.213 10.645 1.00 11.38 H new ATOM 0 HD2 LYS A 148 7.247 -9.144 10.806 1.00 11.36 H new ATOM 0 HD3 LYS A 148 8.594 -10.254 10.643 1.00 11.36 H new ATOM 0 HE2 LYS A 148 9.606 -9.315 12.725 1.00 12.34 H new ATOM 0 HE3 LYS A 148 8.239 -8.231 12.893 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 7.972 -10.195 14.261 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 6.769 -10.155 13.063 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 8.093 -11.205 12.901 1.00 12.59 H new TER 2256 LYS A 148