USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 810 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 116 SER OG : rot 38:sc= -0.678 USER MOD Set 1.2: A 122 TYR OH : rot 126:sc= -0.456 USER MOD Set 2.1: A 111 MET CE :methyl -162:sc= -12.3! (180deg=-12.5!) USER MOD Set 2.2: A 114 HIS : no HE2:sc= -5.84! C(o=-18!,f=-24!) USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0.293 USER MOD Set 3.2: A 66 ASN : amide:sc= -0.842 K(o=-0.55,f=-4.9!) USER MOD Set 4.1: A 51 SER OG : rot -160:sc= -4.31! USER MOD Set 4.2: A 55 ASN : amide:sc= -9.47! C(o=-14!,f=-15!) USER MOD Set 5.1: A 41 MET CE :methyl -125:sc= -0.464 (180deg=-1.29) USER MOD Set 5.2: A 133 MET CE :methyl -135:sc= -6.51! (180deg=-6.84!) USER MOD Single : A 3 SER OG : rot 29:sc= 0.202 USER MOD Single : A 9 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.391 USER MOD Single : A 14 ASN : amide:sc= -0.0724 X(o=-0.072,f=-0.072) USER MOD Single : A 20 THR OG1 : rot 29:sc= -0.387 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.3!) USER MOD Single : A 29 THR OG1 : rot -109:sc= -0.714 USER MOD Single : A 33 GLN :FLIP amide:sc= -10.2! C(o=-13!,f=-10!) USER MOD Single : A 37 ASN : amide:sc= -0.577 X(o=-0.58,f=-0.6) USER MOD Single : A 42 THR OG1 : rot -32:sc= 0.829 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -6.13! C(o=-8!,f=-6.1!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.836) USER MOD Single : A 69 SER OG : rot 169:sc= -1.27 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 175:sc= -0.442 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 85:sc= 0.162 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 156:sc= -1.14 (180deg=-2.78) USER MOD Single : A 107 HIS :FLIP no HE2:sc= -6.81! C(o=-8.7!,f=-6.8!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 118 HIS : no HE2:sc= -0.186 K(o=-0.19,f=-2) USER MOD Single : A 124 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-8.7!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 GLN :FLIP amide:sc= -2.97! C(o=-6.8!,f=-3!) USER MOD Single : A 141 MET CE :methyl -141:sc= -6.53 (180deg=-9.97!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 7.251 4.700 -14.889 1.00 1.94 N ATOM 2 CA SER A 3 6.508 5.716 -14.098 1.00 1.63 C ATOM 3 C SER A 3 5.825 5.082 -12.890 1.00 1.31 C ATOM 4 O SER A 3 5.821 3.860 -12.733 1.00 1.66 O ATOM 5 CB SER A 3 5.468 6.376 -15.005 1.00 1.81 C ATOM 6 OG SER A 3 6.063 6.849 -16.202 1.00 2.13 O ATOM 0 HA SER A 3 7.210 6.462 -13.725 1.00 1.63 H new ATOM 0 HB2 SER A 3 4.682 5.660 -15.244 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.995 7.205 -14.478 1.00 1.81 H new ATOM 0 HG SER A 3 6.841 6.295 -16.422 1.00 2.13 H new ATOM 12 N VAL A 4 5.249 5.920 -12.036 1.00 1.30 N ATOM 13 CA VAL A 4 4.566 5.436 -10.844 1.00 1.06 C ATOM 14 C VAL A 4 3.071 5.265 -11.100 1.00 0.93 C ATOM 15 O VAL A 4 2.493 5.958 -11.937 1.00 1.44 O ATOM 16 CB VAL A 4 4.780 6.383 -9.647 1.00 1.68 C ATOM 17 CG1 VAL A 4 6.266 6.565 -9.375 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.107 7.726 -9.890 1.00 2.29 C ATOM 0 H VAL A 4 5.241 6.934 -12.147 1.00 1.30 H new ATOM 0 HA VAL A 4 4.998 4.465 -10.600 1.00 1.06 H new ATOM 0 HB VAL A 4 4.321 5.933 -8.767 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.401 7.236 -8.527 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.715 5.598 -9.148 1.00 1.82 H new ATOM 0 HG13 VAL A 4 6.748 6.991 -10.255 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.272 8.377 -9.031 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.529 8.188 -10.782 1.00 2.29 H new ATOM 0 HG23 VAL A 4 3.037 7.576 -10.031 1.00 2.29 H new ATOM 22 N LEU A 5 2.451 4.339 -10.377 1.00 0.94 N ATOM 23 CA LEU A 5 1.024 4.081 -10.531 1.00 1.34 C ATOM 24 C LEU A 5 0.393 3.683 -9.202 1.00 1.09 C ATOM 25 O LEU A 5 0.426 2.515 -8.809 1.00 1.34 O ATOM 26 CB LEU A 5 0.792 2.980 -11.568 1.00 2.05 C ATOM 27 CG LEU A 5 -0.557 3.043 -12.287 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.436 3.835 -13.580 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.079 1.641 -12.566 1.00 3.33 C ATOM 0 H LEU A 5 2.913 3.755 -9.680 1.00 0.94 H new ATOM 0 HA LEU A 5 0.551 5.001 -10.874 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.586 3.030 -12.313 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.879 2.012 -11.074 1.00 2.05 H new ATOM 0 HG LEU A 5 -1.269 3.552 -11.638 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.405 3.869 -14.078 1.00 3.92 H new ATOM 0 HD12 LEU A 5 -0.107 4.850 -13.356 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.291 3.354 -14.234 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.039 1.705 -13.078 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.368 1.106 -13.195 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -1.205 1.106 -11.625 1.00 3.33 H new ATOM 35 N VAL A 6 -0.188 4.659 -8.513 1.00 0.88 N ATOM 36 CA VAL A 6 -0.831 4.408 -7.229 1.00 0.75 C ATOM 37 C VAL A 6 -2.342 4.310 -7.391 1.00 0.75 C ATOM 38 O VAL A 6 -2.975 5.208 -7.946 1.00 1.03 O ATOM 39 CB VAL A 6 -0.512 5.512 -6.204 1.00 0.94 C ATOM 40 CG1 VAL A 6 -0.848 5.045 -4.796 1.00 1.26 C ATOM 41 CG2 VAL A 6 0.947 5.935 -6.299 1.00 1.02 C ATOM 0 H VAL A 6 -0.227 5.630 -8.822 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.436 3.461 -6.860 1.00 0.75 H new ATOM 0 HB VAL A 6 -1.129 6.380 -6.434 1.00 0.94 H new ATOM 0 HG11 VAL A 6 -0.616 5.838 -4.085 1.00 1.26 H new ATOM 0 HG12 VAL A 6 -1.909 4.803 -4.736 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.260 4.159 -4.556 1.00 1.26 H new ATOM 0 HG21 VAL A 6 1.148 6.716 -5.565 1.00 1.02 H new ATOM 0 HG22 VAL A 6 1.588 5.076 -6.100 1.00 1.02 H new ATOM 0 HG23 VAL A 6 1.151 6.316 -7.300 1.00 1.02 H new ATOM 45 N ASP A 7 -2.917 3.215 -6.905 1.00 0.72 N ATOM 46 CA ASP A 7 -4.359 3.009 -7.002 1.00 0.83 C ATOM 47 C ASP A 7 -5.004 3.011 -5.619 1.00 0.75 C ATOM 48 O ASP A 7 -4.872 2.051 -4.859 1.00 0.99 O ATOM 49 CB ASP A 7 -4.664 1.693 -7.719 1.00 1.02 C ATOM 50 CG ASP A 7 -3.822 1.503 -8.967 1.00 1.78 C ATOM 51 OD1 ASP A 7 -2.614 1.219 -8.831 1.00 2.33 O ATOM 52 OD2 ASP A 7 -4.371 1.638 -10.080 1.00 2.52 O ATOM 0 H ASP A 7 -2.411 2.460 -6.442 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.778 3.833 -7.580 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.489 0.862 -7.036 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.720 1.666 -7.989 1.00 1.02 H new ATOM 57 N LEU A 8 -5.704 4.096 -5.303 1.00 0.63 N ATOM 58 CA LEU A 8 -6.374 4.228 -4.016 1.00 0.74 C ATOM 59 C LEU A 8 -7.796 3.682 -4.090 1.00 0.59 C ATOM 60 O LEU A 8 -8.744 4.430 -4.327 1.00 0.79 O ATOM 61 CB LEU A 8 -6.403 5.694 -3.579 1.00 1.20 C ATOM 62 CG LEU A 8 -5.116 6.210 -2.928 1.00 0.83 C ATOM 63 CD1 LEU A 8 -4.997 5.697 -1.502 1.00 1.78 C ATOM 64 CD2 LEU A 8 -3.899 5.804 -3.747 1.00 1.52 C ATOM 0 H LEU A 8 -5.822 4.898 -5.923 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.815 3.649 -3.281 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -6.622 6.311 -4.450 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -7.225 5.830 -2.877 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.160 7.299 -2.899 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -4.077 6.074 -1.055 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -5.851 6.042 -0.919 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -4.978 4.607 -1.508 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -2.996 6.180 -3.267 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -3.850 4.717 -3.811 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.979 6.223 -4.750 1.00 1.52 H new ATOM 70 N GLN A 9 -7.937 2.377 -3.890 1.00 0.65 N ATOM 71 CA GLN A 9 -9.246 1.739 -3.938 1.00 0.80 C ATOM 72 C GLN A 9 -9.897 1.726 -2.563 1.00 0.79 C ATOM 73 O GLN A 9 -9.363 1.152 -1.616 1.00 0.81 O ATOM 74 CB GLN A 9 -9.123 0.311 -4.473 1.00 1.03 C ATOM 75 CG GLN A 9 -10.442 -0.275 -4.953 1.00 1.27 C ATOM 76 CD GLN A 9 -10.282 -1.127 -6.196 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.958 -0.912 -7.201 1.00 2.23 O ATOM 78 NE2 GLN A 9 -9.383 -2.103 -6.132 1.00 2.59 N ATOM 0 H GLN A 9 -7.163 1.742 -3.694 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.878 2.317 -4.612 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -8.409 0.301 -5.297 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -8.715 -0.328 -3.690 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -10.879 -0.878 -4.157 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -11.142 0.535 -5.159 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -8.844 -2.245 -5.278 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -9.231 -2.710 -6.937 1.00 2.59 H new ATOM 85 N ILE A 10 -11.057 2.365 -2.462 1.00 0.83 N ATOM 86 CA ILE A 10 -11.786 2.431 -1.205 1.00 0.86 C ATOM 87 C ILE A 10 -12.922 1.410 -1.177 1.00 1.02 C ATOM 88 O ILE A 10 -13.426 1.002 -2.223 1.00 1.23 O ATOM 89 CB ILE A 10 -12.353 3.847 -0.964 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.719 4.028 0.508 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.559 4.109 -1.859 1.00 1.28 C ATOM 92 CD1 ILE A 10 -13.334 5.374 0.812 1.00 1.19 C ATOM 0 H ILE A 10 -11.512 2.845 -3.238 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.081 2.196 -0.407 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.583 4.574 -1.220 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -13.417 3.244 0.800 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.823 3.900 1.116 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.941 5.113 -1.671 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.262 4.024 -2.904 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.338 3.378 -1.643 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -13.569 5.435 1.875 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -12.629 6.163 0.551 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -14.248 5.496 0.230 1.00 1.19 H new ATOM 96 N ALA A 11 -13.317 0.999 0.024 1.00 0.97 N ATOM 97 CA ALA A 11 -14.389 0.024 0.178 1.00 1.15 C ATOM 98 C ALA A 11 -15.296 0.380 1.351 1.00 1.15 C ATOM 99 O ALA A 11 -15.813 -0.502 2.040 1.00 1.32 O ATOM 100 CB ALA A 11 -13.807 -1.369 0.362 1.00 1.30 C ATOM 0 H ALA A 11 -12.912 1.325 0.901 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.994 0.039 -0.729 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.617 -2.090 0.476 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.208 -1.631 -0.510 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.178 -1.386 1.252 1.00 1.30 H new ATOM 106 N THR A 12 -15.488 1.675 1.574 1.00 1.10 N ATOM 107 CA THR A 12 -16.334 2.147 2.662 1.00 1.29 C ATOM 108 C THR A 12 -17.356 3.160 2.157 1.00 1.72 C ATOM 109 O THR A 12 -17.016 4.079 1.412 1.00 2.07 O ATOM 110 CB THR A 12 -15.480 2.772 3.767 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.307 3.351 3.225 1.00 1.78 O ATOM 112 CG2 THR A 12 -15.056 1.780 4.827 1.00 1.29 C ATOM 0 H THR A 12 -15.068 2.417 1.014 1.00 1.10 H new ATOM 0 HA THR A 12 -16.871 1.290 3.069 1.00 1.29 H new ATOM 0 HB THR A 12 -16.114 3.527 4.232 1.00 1.15 H new ATOM 0 HG1 THR A 12 -13.586 3.311 3.888 1.00 1.78 H new ATOM 0 HG21 THR A 12 -14.454 2.288 5.580 1.00 1.29 H new ATOM 0 HG22 THR A 12 -15.940 1.351 5.298 1.00 1.29 H new ATOM 0 HG23 THR A 12 -14.468 0.985 4.367 1.00 1.29 H new ATOM 117 N GLU A 13 -18.608 2.986 2.567 1.00 2.10 N ATOM 118 CA GLU A 13 -19.678 3.887 2.155 1.00 2.62 C ATOM 119 C GLU A 13 -19.705 5.137 3.029 1.00 2.49 C ATOM 120 O GLU A 13 -20.123 6.207 2.585 1.00 2.85 O ATOM 121 CB GLU A 13 -21.030 3.171 2.221 1.00 3.24 C ATOM 122 CG GLU A 13 -21.901 3.403 0.998 1.00 3.89 C ATOM 123 CD GLU A 13 -21.269 2.876 -0.276 1.00 4.72 C ATOM 124 OE1 GLU A 13 -20.391 3.568 -0.833 1.00 5.17 O ATOM 125 OE2 GLU A 13 -21.651 1.772 -0.716 1.00 5.27 O ATOM 0 H GLU A 13 -18.906 2.230 3.184 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.487 4.192 1.126 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.860 2.101 2.338 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -21.567 3.507 3.108 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -22.867 2.920 1.147 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -22.092 4.471 0.890 1.00 3.89 H new ATOM 132 N ASN A 14 -19.256 4.996 4.273 1.00 2.26 N ATOM 133 CA ASN A 14 -19.229 6.115 5.207 1.00 2.51 C ATOM 134 C ASN A 14 -17.912 6.153 5.975 1.00 1.99 C ATOM 135 O ASN A 14 -17.558 5.198 6.667 1.00 1.78 O ATOM 136 CB ASN A 14 -20.400 6.019 6.186 1.00 3.10 C ATOM 137 CG ASN A 14 -21.736 5.898 5.480 1.00 3.79 C ATOM 138 OD1 ASN A 14 -22.115 6.764 4.691 1.00 4.30 O ATOM 139 ND2 ASN A 14 -22.459 4.822 5.763 1.00 4.18 N ATOM 0 H ASN A 14 -18.906 4.118 4.657 1.00 2.26 H new ATOM 0 HA ASN A 14 -19.320 7.036 4.632 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -20.256 5.156 6.836 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.409 6.902 6.825 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -23.368 4.687 5.320 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -22.106 4.129 6.423 1.00 4.18 H new ATOM 144 N ILE A 15 -17.190 7.261 5.849 1.00 2.45 N ATOM 145 CA ILE A 15 -15.911 7.425 6.532 1.00 2.24 C ATOM 146 C ILE A 15 -15.735 8.858 7.022 1.00 1.60 C ATOM 147 O ILE A 15 -16.413 9.772 6.554 1.00 1.92 O ATOM 148 CB ILE A 15 -14.722 7.068 5.617 1.00 3.00 C ATOM 149 CG1 ILE A 15 -15.038 5.836 4.765 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.471 6.831 6.447 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.932 6.132 3.580 1.00 3.61 C ATOM 0 H ILE A 15 -17.469 8.060 5.280 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.922 6.741 7.381 1.00 2.24 H new ATOM 0 HB ILE A 15 -14.544 7.908 4.946 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -14.104 5.404 4.406 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.517 5.084 5.392 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.640 6.580 5.788 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -13.230 7.734 7.008 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -13.645 6.009 7.141 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -16.113 5.213 3.022 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -16.881 6.536 3.932 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -15.446 6.860 2.931 1.00 3.61 H new ATOM 155 N GLU A 16 -14.810 9.049 7.958 1.00 1.45 N ATOM 156 CA GLU A 16 -14.535 10.375 8.500 1.00 1.67 C ATOM 157 C GLU A 16 -13.437 11.059 7.691 1.00 1.94 C ATOM 158 O GLU A 16 -12.458 11.560 8.245 1.00 2.67 O ATOM 159 CB GLU A 16 -14.121 10.274 9.969 1.00 2.11 C ATOM 160 CG GLU A 16 -15.001 9.343 10.786 1.00 3.11 C ATOM 161 CD GLU A 16 -14.360 8.941 12.101 1.00 3.84 C ATOM 162 OE1 GLU A 16 -13.504 8.030 12.091 1.00 4.13 O ATOM 163 OE2 GLU A 16 -14.714 9.536 13.140 1.00 4.53 O ATOM 0 H GLU A 16 -14.239 8.303 8.356 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.444 10.972 8.434 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.089 9.927 10.024 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -14.147 11.269 10.414 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -15.955 9.832 10.985 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -15.217 8.448 10.203 1.00 3.11 H new ATOM 170 N GLY A 17 -13.605 11.064 6.372 1.00 1.95 N ATOM 171 CA GLY A 17 -12.625 11.675 5.496 1.00 2.86 C ATOM 172 C GLY A 17 -12.143 10.714 4.426 1.00 2.74 C ATOM 173 O GLY A 17 -11.110 10.066 4.585 1.00 3.16 O ATOM 0 H GLY A 17 -14.407 10.653 5.894 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.060 12.556 5.023 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.775 12.017 6.086 1.00 2.86 H new ATOM 177 N LEU A 18 -12.902 10.616 3.337 1.00 2.64 N ATOM 178 CA LEU A 18 -12.557 9.719 2.235 1.00 2.63 C ATOM 179 C LEU A 18 -11.084 9.850 1.851 1.00 2.01 C ATOM 180 O LEU A 18 -10.498 10.928 1.954 1.00 2.22 O ATOM 181 CB LEU A 18 -13.438 10.007 1.020 1.00 3.46 C ATOM 182 CG LEU A 18 -13.473 11.473 0.578 1.00 3.97 C ATOM 183 CD1 LEU A 18 -12.767 11.649 -0.758 1.00 4.46 C ATOM 184 CD2 LEU A 18 -14.909 11.973 0.494 1.00 4.91 C ATOM 0 H LEU A 18 -13.761 11.147 3.193 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.732 8.697 2.572 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.089 9.400 0.185 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -14.455 9.686 1.244 1.00 3.46 H new ATOM 0 HG LEU A 18 -12.945 12.067 1.324 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -12.804 12.698 -1.053 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -11.728 11.334 -0.665 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -13.263 11.041 -1.515 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -14.913 13.016 0.178 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -15.461 11.373 -0.229 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -15.382 11.888 1.472 1.00 4.91 H new ATOM 190 N PRO A 19 -10.466 8.745 1.401 1.00 1.58 N ATOM 191 CA PRO A 19 -9.058 8.732 1.001 1.00 1.46 C ATOM 192 C PRO A 19 -8.850 9.298 -0.400 1.00 1.48 C ATOM 193 O PRO A 19 -9.234 8.680 -1.393 1.00 2.32 O ATOM 194 CB PRO A 19 -8.713 7.246 1.036 1.00 1.63 C ATOM 195 CG PRO A 19 -9.987 6.564 0.677 1.00 1.84 C ATOM 196 CD PRO A 19 -11.092 7.417 1.248 1.00 1.84 C ATOM 0 HA PRO A 19 -8.435 9.349 1.648 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.920 7.005 0.328 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -8.363 6.942 2.023 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -10.087 6.469 -0.404 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -10.019 5.556 1.090 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.954 7.455 0.581 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.445 7.028 2.203 1.00 1.84 H new ATOM 204 N THR A 20 -8.239 10.476 -0.473 1.00 1.19 N ATOM 205 CA THR A 20 -7.982 11.125 -1.753 1.00 1.25 C ATOM 206 C THR A 20 -6.629 10.705 -2.315 1.00 1.21 C ATOM 207 O THR A 20 -5.610 10.775 -1.627 1.00 1.19 O ATOM 208 CB THR A 20 -8.031 12.646 -1.593 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.106 13.077 -0.611 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.398 13.159 -1.192 1.00 2.03 C ATOM 0 H THR A 20 -7.913 11.000 0.339 1.00 1.19 H new ATOM 0 HA THR A 20 -8.757 10.813 -2.453 1.00 1.25 H new ATOM 0 HB THR A 20 -7.781 13.049 -2.574 1.00 1.39 H new ATOM 0 HG1 THR A 20 -6.349 12.455 -0.579 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.365 14.244 -1.095 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.128 12.884 -1.954 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.687 12.718 -0.238 1.00 2.03 H new ATOM 215 N GLU A 21 -6.625 10.268 -3.569 1.00 1.30 N ATOM 216 CA GLU A 21 -5.396 9.837 -4.226 1.00 1.28 C ATOM 217 C GLU A 21 -4.532 11.033 -4.608 1.00 1.19 C ATOM 218 O GLU A 21 -3.320 11.017 -4.414 1.00 1.10 O ATOM 219 CB GLU A 21 -5.716 9.003 -5.467 1.00 1.44 C ATOM 220 CG GLU A 21 -6.622 9.707 -6.466 1.00 1.56 C ATOM 221 CD GLU A 21 -5.855 10.290 -7.636 1.00 1.94 C ATOM 222 OE1 GLU A 21 -4.730 10.787 -7.421 1.00 2.54 O ATOM 223 OE2 GLU A 21 -6.381 10.251 -8.769 1.00 2.04 O ATOM 0 H GLU A 21 -7.460 10.203 -4.152 1.00 1.30 H new ATOM 0 HA GLU A 21 -4.837 9.221 -3.521 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -4.783 8.735 -5.963 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.190 8.072 -5.155 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.364 9.001 -6.838 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.166 10.504 -5.959 1.00 1.56 H new ATOM 230 N GLU A 22 -5.161 12.071 -5.152 1.00 1.24 N ATOM 231 CA GLU A 22 -4.436 13.271 -5.560 1.00 1.18 C ATOM 232 C GLU A 22 -3.489 13.740 -4.457 1.00 1.05 C ATOM 233 O GLU A 22 -2.289 13.905 -4.684 1.00 0.99 O ATOM 234 CB GLU A 22 -5.420 14.389 -5.914 1.00 1.26 C ATOM 235 CG GLU A 22 -5.031 15.172 -7.157 1.00 1.93 C ATOM 236 CD GLU A 22 -6.193 15.949 -7.743 1.00 2.47 C ATOM 237 OE1 GLU A 22 -7.249 15.334 -8.002 1.00 3.23 O ATOM 238 OE2 GLU A 22 -6.047 17.172 -7.945 1.00 2.76 O ATOM 0 H GLU A 22 -6.166 12.106 -5.320 1.00 1.24 H new ATOM 0 HA GLU A 22 -3.842 13.025 -6.440 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.410 13.957 -6.062 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.495 15.076 -5.071 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -4.225 15.863 -6.910 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -4.642 14.485 -7.908 1.00 1.93 H new ATOM 245 N GLN A 23 -4.036 13.946 -3.264 1.00 1.02 N ATOM 246 CA GLN A 23 -3.240 14.390 -2.127 1.00 0.93 C ATOM 247 C GLN A 23 -2.208 13.337 -1.740 1.00 0.82 C ATOM 248 O GLN A 23 -1.007 13.545 -1.906 1.00 0.77 O ATOM 249 CB GLN A 23 -4.147 14.698 -0.934 1.00 0.99 C ATOM 250 CG GLN A 23 -4.505 16.171 -0.806 1.00 0.97 C ATOM 251 CD GLN A 23 -4.028 16.777 0.498 1.00 1.14 C ATOM 252 OE1 GLN A 23 -4.813 16.991 1.421 1.00 2.08 O ATOM 253 NE2 GLN A 23 -2.732 17.059 0.581 1.00 1.09 N ATOM 0 H GLN A 23 -5.026 13.813 -3.060 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.712 15.298 -2.417 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.064 14.116 -1.026 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -3.653 14.372 -0.019 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.067 16.721 -1.639 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.586 16.286 -0.881 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -2.116 16.865 -0.209 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -2.353 17.469 1.434 1.00 1.09 H new ATOM 260 N ILE A 24 -2.685 12.206 -1.227 1.00 0.83 N ATOM 261 CA ILE A 24 -1.805 11.115 -0.814 1.00 0.74 C ATOM 262 C ILE A 24 -0.738 10.833 -1.871 1.00 0.69 C ATOM 263 O ILE A 24 0.461 10.900 -1.593 1.00 0.67 O ATOM 264 CB ILE A 24 -2.602 9.819 -0.547 1.00 0.82 C ATOM 265 CG1 ILE A 24 -3.683 10.066 0.508 1.00 1.01 C ATOM 266 CG2 ILE A 24 -1.671 8.697 -0.103 1.00 0.85 C ATOM 267 CD1 ILE A 24 -4.565 8.862 0.762 1.00 1.43 C ATOM 0 H ILE A 24 -3.678 12.020 -1.087 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.321 11.434 0.109 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.085 9.515 -1.476 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.206 10.361 1.443 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.306 10.902 0.190 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.252 7.793 0.080 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -0.936 8.504 -0.884 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.159 8.991 0.813 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -5.308 9.109 1.520 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.070 8.579 -0.162 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.953 8.030 1.111 1.00 1.43 H new ATOM 271 N VAL A 25 -1.187 10.520 -3.080 1.00 0.77 N ATOM 272 CA VAL A 25 -0.280 10.226 -4.182 1.00 0.77 C ATOM 273 C VAL A 25 0.699 11.371 -4.414 1.00 0.74 C ATOM 274 O VAL A 25 1.910 11.176 -4.358 1.00 0.73 O ATOM 275 CB VAL A 25 -1.054 9.945 -5.486 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.098 9.658 -6.633 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.022 8.786 -5.293 1.00 1.45 C ATOM 0 H VAL A 25 -2.176 10.463 -3.322 1.00 0.77 H new ATOM 0 HA VAL A 25 0.279 9.333 -3.902 1.00 0.77 H new ATOM 0 HB VAL A 25 -1.628 10.836 -5.739 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -0.668 9.463 -7.541 1.00 0.85 H new ATOM 0 HG12 VAL A 25 0.551 10.519 -6.790 1.00 0.85 H new ATOM 0 HG13 VAL A 25 0.509 8.786 -6.391 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -2.559 8.602 -6.223 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -1.467 7.891 -5.012 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -2.734 9.034 -4.506 1.00 1.45 H new ATOM 281 N GLN A 26 0.172 12.562 -4.681 1.00 0.76 N ATOM 282 CA GLN A 26 1.014 13.729 -4.930 1.00 0.77 C ATOM 283 C GLN A 26 1.969 13.990 -3.767 1.00 0.72 C ATOM 284 O GLN A 26 3.185 13.998 -3.938 1.00 0.71 O ATOM 285 CB GLN A 26 0.150 14.968 -5.178 1.00 0.85 C ATOM 286 CG GLN A 26 0.937 16.165 -5.684 1.00 0.94 C ATOM 287 CD GLN A 26 0.528 17.460 -5.008 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.547 17.553 -4.417 1.00 1.72 O ATOM 289 NE2 GLN A 26 1.389 18.469 -5.091 1.00 2.19 N ATOM 0 H GLN A 26 -0.830 12.745 -4.731 1.00 0.76 H new ATOM 0 HA GLN A 26 1.609 13.520 -5.819 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.626 14.721 -5.903 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.355 15.241 -4.251 1.00 0.85 H new ATOM 0 HG2 GLN A 26 2.000 15.993 -5.518 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.794 16.260 -6.760 1.00 0.94 H new ATOM 0 HE21 GLN A 26 2.270 18.348 -5.591 1.00 2.19 H new ATOM 0 HE22 GLN A 26 1.169 19.364 -4.654 1.00 2.19 H new ATOM 296 N TRP A 27 1.415 14.212 -2.585 1.00 0.74 N ATOM 297 CA TRP A 27 2.229 14.485 -1.406 1.00 0.76 C ATOM 298 C TRP A 27 3.300 13.407 -1.201 1.00 0.69 C ATOM 299 O TRP A 27 4.495 13.706 -1.190 1.00 0.67 O ATOM 300 CB TRP A 27 1.318 14.636 -0.174 1.00 0.92 C ATOM 301 CG TRP A 27 1.776 13.915 1.059 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.414 12.660 1.455 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.664 14.413 2.066 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.019 12.348 2.648 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.795 13.407 3.042 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.363 15.612 2.237 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.594 13.564 4.171 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.157 15.766 3.358 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.268 14.746 4.311 1.00 0.87 C ATOM 0 H TRP A 27 0.409 14.209 -2.415 1.00 0.74 H new ATOM 0 HA TRP A 27 2.764 15.423 -1.555 1.00 0.76 H new ATOM 0 HB2 TRP A 27 1.225 15.697 0.060 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.322 14.278 -0.434 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.749 12.007 0.910 1.00 1.06 H new ATOM 0 HE1 TRP A 27 1.909 11.471 3.158 1.00 1.02 H new ATOM 0 HE3 TRP A 27 3.284 16.403 1.506 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.679 12.781 4.910 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.701 16.688 3.501 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.899 14.896 5.175 1.00 0.87 H new ATOM 320 N ALA A 28 2.874 12.158 -1.035 1.00 0.70 N ATOM 321 CA ALA A 28 3.818 11.063 -0.821 1.00 0.72 C ATOM 322 C ALA A 28 4.467 10.589 -2.123 1.00 0.68 C ATOM 323 O ALA A 28 5.629 10.902 -2.407 1.00 0.73 O ATOM 324 CB ALA A 28 3.119 9.902 -0.127 1.00 0.78 C ATOM 0 H ALA A 28 1.893 11.880 -1.044 1.00 0.70 H new ATOM 0 HA ALA A 28 4.618 11.442 -0.185 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.829 9.090 0.029 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.731 10.234 0.836 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.296 9.549 -0.748 1.00 0.78 H new ATOM 330 N THR A 29 3.717 9.820 -2.905 1.00 0.63 N ATOM 331 CA THR A 29 4.227 9.285 -4.162 1.00 0.67 C ATOM 332 C THR A 29 4.733 10.388 -5.086 1.00 0.64 C ATOM 333 O THR A 29 5.527 10.130 -5.991 1.00 0.72 O ATOM 334 CB THR A 29 3.151 8.466 -4.872 1.00 0.69 C ATOM 335 OG1 THR A 29 2.281 7.858 -3.934 1.00 1.02 O ATOM 336 CG2 THR A 29 3.728 7.373 -5.742 1.00 0.74 C ATOM 0 H THR A 29 2.756 9.554 -2.691 1.00 0.63 H new ATOM 0 HA THR A 29 5.070 8.639 -3.918 1.00 0.67 H new ATOM 0 HB THR A 29 2.611 9.171 -5.503 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.441 6.891 -3.919 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.918 6.824 -6.222 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.368 7.815 -6.505 1.00 0.74 H new ATOM 0 HG23 THR A 29 4.315 6.690 -5.127 1.00 0.74 H new ATOM 341 N GLY A 30 4.277 11.613 -4.864 1.00 0.60 N ATOM 342 CA GLY A 30 4.713 12.710 -5.697 1.00 0.64 C ATOM 343 C GLY A 30 6.093 13.193 -5.317 1.00 0.66 C ATOM 344 O GLY A 30 6.884 13.569 -6.181 1.00 0.72 O ATOM 0 H GLY A 30 3.618 11.863 -4.127 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.713 12.395 -6.741 1.00 0.64 H new ATOM 0 HA3 GLY A 30 4.004 13.534 -5.613 1.00 0.64 H new ATOM 348 N ALA A 31 6.391 13.174 -4.021 1.00 0.65 N ATOM 349 CA ALA A 31 7.695 13.603 -3.540 1.00 0.73 C ATOM 350 C ALA A 31 8.799 12.745 -4.149 1.00 0.75 C ATOM 351 O ALA A 31 9.925 13.205 -4.336 1.00 0.83 O ATOM 352 CB ALA A 31 7.748 13.538 -2.021 1.00 0.82 C ATOM 0 H ALA A 31 5.749 12.867 -3.290 1.00 0.65 H new ATOM 0 HA ALA A 31 7.853 14.636 -3.848 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.730 13.862 -1.677 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.983 14.192 -1.602 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.569 12.514 -1.694 1.00 0.82 H new ATOM 358 N VAL A 32 8.469 11.491 -4.454 1.00 0.76 N ATOM 359 CA VAL A 32 9.438 10.566 -5.039 1.00 0.87 C ATOM 360 C VAL A 32 9.560 10.744 -6.552 1.00 0.91 C ATOM 361 O VAL A 32 10.621 10.508 -7.129 1.00 1.03 O ATOM 362 CB VAL A 32 9.076 9.104 -4.729 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.709 8.750 -5.293 1.00 1.07 C ATOM 364 CG2 VAL A 32 10.141 8.160 -5.267 1.00 1.23 C ATOM 0 H VAL A 32 7.541 11.093 -4.306 1.00 0.76 H new ATOM 0 HA VAL A 32 10.399 10.803 -4.583 1.00 0.87 H new ATOM 0 HB VAL A 32 9.033 8.990 -3.646 1.00 1.04 H new ATOM 0 HG11 VAL A 32 7.477 7.711 -5.060 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.953 9.399 -4.850 1.00 1.07 H new ATOM 0 HG13 VAL A 32 7.715 8.887 -6.374 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.865 7.131 -5.037 1.00 1.23 H new ATOM 0 HG22 VAL A 32 10.222 8.281 -6.347 1.00 1.23 H new ATOM 0 HG23 VAL A 32 11.100 8.391 -4.803 1.00 1.23 H new ATOM 368 N GLN A 33 8.468 11.147 -7.188 1.00 0.90 N ATOM 369 CA GLN A 33 8.439 11.344 -8.636 1.00 1.04 C ATOM 370 C GLN A 33 9.661 12.113 -9.157 1.00 1.07 C ATOM 371 O GLN A 33 10.303 11.682 -10.115 1.00 1.22 O ATOM 372 CB GLN A 33 7.158 12.076 -9.039 1.00 1.22 C ATOM 373 CG GLN A 33 6.129 11.175 -9.703 1.00 1.37 C ATOM 374 CD GLN A 33 5.434 10.260 -8.716 1.00 1.19 C ATOM 375 OE1 GLN A 33 6.113 9.188 -8.321 1.00 1.67 O flip ATOM 376 NE2 GLN A 33 4.298 10.510 -8.313 1.00 1.88 N flip ATOM 0 H GLN A 33 7.583 11.346 -6.722 1.00 0.90 H new ATOM 0 HA GLN A 33 8.464 10.354 -9.091 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.714 12.530 -8.153 1.00 1.22 H new ATOM 0 HB3 GLN A 33 7.412 12.888 -9.720 1.00 1.22 H new ATOM 0 HG2 GLN A 33 5.385 11.790 -10.209 1.00 1.37 H new ATOM 0 HG3 GLN A 33 6.618 10.573 -10.469 1.00 1.37 H new ATOM 0 HE21 GLN A 33 3.812 11.344 -8.642 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.843 9.883 -7.650 1.00 1.88 H new ATOM 383 N PRO A 34 9.991 13.273 -8.556 1.00 1.04 N ATOM 384 CA PRO A 34 11.124 14.095 -8.996 1.00 1.23 C ATOM 385 C PRO A 34 12.435 13.318 -9.106 1.00 1.50 C ATOM 386 O PRO A 34 13.090 13.342 -10.148 1.00 1.84 O ATOM 387 CB PRO A 34 11.237 15.185 -7.918 1.00 1.29 C ATOM 388 CG PRO A 34 10.346 14.748 -6.803 1.00 1.15 C ATOM 389 CD PRO A 34 9.285 13.890 -7.426 1.00 0.96 C ATOM 0 HA PRO A 34 10.952 14.484 -10.000 1.00 1.23 H new ATOM 0 HB2 PRO A 34 12.267 15.292 -7.577 1.00 1.29 H new ATOM 0 HB3 PRO A 34 10.928 16.155 -8.308 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.907 14.190 -6.053 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.905 15.607 -6.298 1.00 1.15 H new ATOM 0 HD2 PRO A 34 8.907 13.143 -6.728 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.430 14.480 -7.756 1.00 0.96 H new ATOM 397 N GLU A 35 12.825 12.645 -8.029 1.00 1.43 N ATOM 398 CA GLU A 35 14.073 11.886 -8.021 1.00 1.69 C ATOM 399 C GLU A 35 13.828 10.384 -8.155 1.00 1.95 C ATOM 400 O GLU A 35 14.456 9.582 -7.462 1.00 2.55 O ATOM 401 CB GLU A 35 14.861 12.177 -6.741 1.00 1.58 C ATOM 402 CG GLU A 35 16.348 12.389 -6.976 1.00 2.20 C ATOM 403 CD GLU A 35 17.191 11.953 -5.794 1.00 2.95 C ATOM 404 OE1 GLU A 35 17.590 10.769 -5.754 1.00 3.47 O ATOM 405 OE2 GLU A 35 17.454 12.794 -4.910 1.00 3.53 O ATOM 0 H GLU A 35 12.300 12.608 -7.155 1.00 1.43 H new ATOM 0 HA GLU A 35 14.655 12.204 -8.886 1.00 1.69 H new ATOM 0 HB2 GLU A 35 14.447 13.065 -6.264 1.00 1.58 H new ATOM 0 HB3 GLU A 35 14.726 11.349 -6.045 1.00 1.58 H new ATOM 0 HG2 GLU A 35 16.655 11.833 -7.862 1.00 2.20 H new ATOM 0 HG3 GLU A 35 16.533 13.443 -7.181 1.00 2.20 H new ATOM 412 N GLY A 36 12.922 10.004 -9.052 1.00 1.77 N ATOM 413 CA GLY A 36 12.634 8.594 -9.254 1.00 2.19 C ATOM 414 C GLY A 36 11.157 8.314 -9.456 1.00 1.74 C ATOM 415 O GLY A 36 10.350 8.516 -8.549 1.00 1.77 O ATOM 0 H GLY A 36 12.385 10.642 -9.639 1.00 1.77 H new ATOM 0 HA2 GLY A 36 13.188 8.236 -10.122 1.00 2.19 H new ATOM 0 HA3 GLY A 36 12.991 8.029 -8.393 1.00 2.19 H new ATOM 419 N ASN A 37 10.802 7.842 -10.646 1.00 2.06 N ATOM 420 CA ASN A 37 9.412 7.530 -10.958 1.00 2.08 C ATOM 421 C ASN A 37 9.296 6.199 -11.699 1.00 1.73 C ATOM 422 O ASN A 37 9.598 6.112 -12.888 1.00 1.94 O ATOM 423 CB ASN A 37 8.793 8.649 -11.798 1.00 3.12 C ATOM 424 CG ASN A 37 9.646 9.008 -12.999 1.00 3.90 C ATOM 425 OD1 ASN A 37 9.373 8.576 -14.120 1.00 4.50 O ATOM 426 ND2 ASN A 37 10.685 9.803 -12.771 1.00 4.34 N ATOM 0 H ASN A 37 11.456 7.667 -11.409 1.00 2.06 H new ATOM 0 HA ASN A 37 8.869 7.445 -10.016 1.00 2.08 H new ATOM 0 HB2 ASN A 37 7.804 8.341 -12.137 1.00 3.12 H new ATOM 0 HB3 ASN A 37 8.655 9.533 -11.176 1.00 3.12 H new ATOM 0 HD21 ASN A 37 11.294 10.079 -13.541 1.00 4.34 H new ATOM 0 HD22 ASN A 37 10.874 10.137 -11.826 1.00 4.34 H new ATOM 431 N GLU A 38 8.848 5.169 -10.987 1.00 1.77 N ATOM 432 CA GLU A 38 8.681 3.843 -11.575 1.00 1.76 C ATOM 433 C GLU A 38 8.207 2.841 -10.525 1.00 1.90 C ATOM 434 O GLU A 38 8.954 2.503 -9.608 1.00 2.28 O ATOM 435 CB GLU A 38 9.996 3.364 -12.196 1.00 2.18 C ATOM 436 CG GLU A 38 9.839 2.830 -13.611 1.00 2.12 C ATOM 437 CD GLU A 38 10.813 1.710 -13.923 1.00 2.42 C ATOM 438 OE1 GLU A 38 11.823 1.583 -13.200 1.00 2.81 O ATOM 439 OE2 GLU A 38 10.565 0.959 -14.890 1.00 2.88 O ATOM 0 H GLU A 38 8.594 5.227 -10.001 1.00 1.77 H new ATOM 0 HA GLU A 38 7.925 3.913 -12.357 1.00 1.76 H new ATOM 0 HB2 GLU A 38 10.707 4.190 -12.205 1.00 2.18 H new ATOM 0 HB3 GLU A 38 10.423 2.583 -11.567 1.00 2.18 H new ATOM 0 HG2 GLU A 38 8.820 2.469 -13.748 1.00 2.12 H new ATOM 0 HG3 GLU A 38 9.987 3.644 -14.321 1.00 2.12 H new ATOM 446 N VAL A 39 6.961 2.371 -10.675 1.00 1.79 N ATOM 447 CA VAL A 39 6.358 1.399 -9.749 1.00 2.04 C ATOM 448 C VAL A 39 4.837 1.552 -9.730 1.00 1.58 C ATOM 449 O VAL A 39 4.309 2.588 -10.126 1.00 1.86 O ATOM 450 CB VAL A 39 6.892 1.549 -8.304 1.00 2.80 C ATOM 451 CG1 VAL A 39 6.674 2.966 -7.794 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.238 0.538 -7.376 1.00 3.20 C ATOM 0 H VAL A 39 6.344 2.651 -11.437 1.00 1.79 H new ATOM 0 HA VAL A 39 6.635 0.410 -10.114 1.00 2.04 H new ATOM 0 HB VAL A 39 7.964 1.351 -8.318 1.00 2.80 H new ATOM 0 HG11 VAL A 39 7.057 3.049 -6.777 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.201 3.670 -8.439 1.00 3.56 H new ATOM 0 HG13 VAL A 39 5.608 3.195 -7.801 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.630 0.664 -6.367 1.00 3.20 H new ATOM 0 HG22 VAL A 39 5.159 0.695 -7.369 1.00 3.20 H new ATOM 0 HG23 VAL A 39 6.455 -0.471 -7.726 1.00 3.20 H new ATOM 456 N GLU A 40 4.131 0.522 -9.269 1.00 1.19 N ATOM 457 CA GLU A 40 2.674 0.574 -9.211 1.00 0.87 C ATOM 458 C GLU A 40 2.141 -0.054 -7.924 1.00 0.72 C ATOM 459 O GLU A 40 2.200 -1.272 -7.737 1.00 0.71 O ATOM 460 CB GLU A 40 2.066 -0.121 -10.429 1.00 0.85 C ATOM 461 CG GLU A 40 2.655 -1.495 -10.703 1.00 0.98 C ATOM 462 CD GLU A 40 1.898 -2.249 -11.779 1.00 1.62 C ATOM 463 OE1 GLU A 40 2.047 -1.896 -12.968 1.00 2.10 O ATOM 464 OE2 GLU A 40 1.155 -3.191 -11.432 1.00 2.29 O ATOM 0 H GLU A 40 4.540 -0.350 -8.933 1.00 1.19 H new ATOM 0 HA GLU A 40 2.381 1.624 -9.218 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.990 -0.219 -10.282 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.212 0.509 -11.307 1.00 0.85 H new ATOM 0 HG2 GLU A 40 3.697 -1.386 -11.005 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.649 -2.079 -9.783 1.00 0.98 H new ATOM 471 N MET A 41 1.617 0.795 -7.042 1.00 0.77 N ATOM 472 CA MET A 41 1.065 0.345 -5.767 1.00 0.73 C ATOM 473 C MET A 41 -0.453 0.525 -5.739 1.00 0.68 C ATOM 474 O MET A 41 -0.953 1.649 -5.790 1.00 0.72 O ATOM 475 CB MET A 41 1.697 1.128 -4.611 1.00 0.88 C ATOM 476 CG MET A 41 3.019 0.553 -4.125 1.00 1.06 C ATOM 477 SD MET A 41 3.489 1.174 -2.497 1.00 1.42 S ATOM 478 CE MET A 41 5.113 1.849 -2.839 1.00 1.11 C ATOM 0 H MET A 41 1.563 1.803 -7.189 1.00 0.77 H new ATOM 0 HA MET A 41 1.294 -0.715 -5.653 1.00 0.73 H new ATOM 0 HB2 MET A 41 1.855 2.159 -4.927 1.00 0.88 H new ATOM 0 HB3 MET A 41 0.995 1.155 -3.777 1.00 0.88 H new ATOM 0 HG2 MET A 41 2.947 -0.534 -4.088 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.803 0.796 -4.843 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.842 1.405 -2.161 1.00 1.11 H new ATOM 0 HE2 MET A 41 5.391 1.624 -3.869 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.096 2.929 -2.696 1.00 1.11 H new ATOM 488 N THR A 42 -1.184 -0.582 -5.651 1.00 0.81 N ATOM 489 CA THR A 42 -2.640 -0.526 -5.610 1.00 0.79 C ATOM 490 C THR A 42 -3.150 -0.739 -4.189 1.00 0.77 C ATOM 491 O THR A 42 -3.409 -1.868 -3.775 1.00 1.11 O ATOM 492 CB THR A 42 -3.244 -1.573 -6.549 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.779 -1.385 -7.874 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.757 -1.544 -6.586 1.00 1.61 C ATOM 0 H THR A 42 -0.794 -1.523 -5.607 1.00 0.81 H new ATOM 0 HA THR A 42 -2.950 0.464 -5.944 1.00 0.79 H new ATOM 0 HB THR A 42 -2.925 -2.536 -6.150 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.619 -0.431 -8.032 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.119 -2.311 -7.271 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.149 -1.735 -5.587 1.00 1.61 H new ATOM 0 HG23 THR A 42 -5.094 -0.565 -6.927 1.00 1.61 H new ATOM 499 N VAL A 43 -3.286 0.353 -3.443 1.00 0.65 N ATOM 500 CA VAL A 43 -3.758 0.280 -2.066 1.00 0.64 C ATOM 501 C VAL A 43 -5.273 0.107 -2.009 1.00 0.58 C ATOM 502 O VAL A 43 -6.019 0.811 -2.692 1.00 0.71 O ATOM 503 CB VAL A 43 -3.358 1.535 -1.264 1.00 0.75 C ATOM 504 CG1 VAL A 43 -4.010 2.780 -1.846 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.725 1.369 0.204 1.00 1.51 C ATOM 0 H VAL A 43 -3.076 1.297 -3.769 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.282 -0.591 -1.616 1.00 0.64 H new ATOM 0 HB VAL A 43 -2.277 1.656 -1.336 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.713 3.652 -1.264 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -3.691 2.908 -2.880 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -5.094 2.673 -1.812 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -3.436 2.264 0.755 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -4.801 1.219 0.295 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -3.202 0.505 0.614 1.00 1.51 H new ATOM 509 N ARG A 44 -5.718 -0.837 -1.187 1.00 0.55 N ATOM 510 CA ARG A 44 -7.140 -1.112 -1.032 1.00 0.54 C ATOM 511 C ARG A 44 -7.589 -0.873 0.407 1.00 0.57 C ATOM 512 O ARG A 44 -7.042 -1.455 1.345 1.00 0.69 O ATOM 513 CB ARG A 44 -7.450 -2.555 -1.441 1.00 0.61 C ATOM 514 CG ARG A 44 -8.765 -2.707 -2.187 1.00 1.19 C ATOM 515 CD ARG A 44 -9.118 -4.169 -2.400 1.00 1.98 C ATOM 516 NE ARG A 44 -10.414 -4.328 -3.055 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.807 -5.445 -3.662 1.00 3.13 C ATOM 518 NH1 ARG A 44 -10.008 -6.504 -3.701 1.00 3.54 N ATOM 519 NH2 ARG A 44 -12.004 -5.505 -4.231 1.00 3.77 N ATOM 0 H ARG A 44 -5.111 -1.426 -0.616 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.688 -0.430 -1.682 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -6.641 -2.928 -2.069 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.474 -3.180 -0.548 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.561 -2.217 -1.627 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -8.698 -2.204 -3.151 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -8.345 -4.644 -3.004 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.132 -4.683 -1.439 1.00 1.98 H new ATOM 0 HE ARG A 44 -11.056 -3.535 -3.047 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -9.087 -6.464 -3.264 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -10.315 -7.357 -4.168 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -12.623 -4.695 -4.203 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -12.305 -6.361 -4.696 1.00 3.77 H new ATOM 533 N ILE A 45 -8.588 -0.012 0.570 1.00 0.55 N ATOM 534 CA ILE A 45 -9.118 0.310 1.890 1.00 0.61 C ATOM 535 C ILE A 45 -10.445 -0.402 2.129 1.00 0.59 C ATOM 536 O ILE A 45 -11.402 -0.216 1.376 1.00 0.60 O ATOM 537 CB ILE A 45 -9.330 1.830 2.074 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.410 2.631 1.147 1.00 0.59 C ATOM 539 CG2 ILE A 45 -9.095 2.224 3.523 1.00 0.94 C ATOM 540 CD1 ILE A 45 -6.939 2.466 1.462 1.00 0.63 C ATOM 0 H ILE A 45 -9.048 0.477 -0.198 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.377 -0.030 2.614 1.00 0.61 H new ATOM 0 HB ILE A 45 -10.361 2.063 1.809 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.589 2.323 0.117 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.671 3.687 1.214 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -9.248 3.297 3.638 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -9.794 1.687 4.164 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -8.074 1.970 3.808 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -6.349 3.062 0.766 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.745 2.801 2.481 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.662 1.416 1.367 1.00 0.63 H new ATOM 544 N VAL A 46 -10.500 -1.216 3.177 1.00 0.63 N ATOM 545 CA VAL A 46 -11.715 -1.951 3.506 1.00 0.63 C ATOM 546 C VAL A 46 -11.645 -2.531 4.916 1.00 0.64 C ATOM 547 O VAL A 46 -10.562 -2.712 5.472 1.00 0.68 O ATOM 548 CB VAL A 46 -11.972 -3.089 2.498 1.00 0.70 C ATOM 549 CG1 VAL A 46 -10.835 -4.100 2.524 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.305 -3.765 2.780 1.00 1.52 C ATOM 0 H VAL A 46 -9.719 -1.383 3.812 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.540 -1.240 3.455 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.016 -2.656 1.499 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.038 -4.894 1.805 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -9.901 -3.603 2.263 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -10.751 -4.528 3.523 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.467 -4.565 2.058 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.296 -4.182 3.787 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.109 -3.033 2.698 1.00 1.52 H new ATOM 554 N ASP A 47 -12.810 -2.820 5.488 1.00 0.66 N ATOM 555 CA ASP A 47 -12.884 -3.380 6.833 1.00 0.71 C ATOM 556 C ASP A 47 -12.128 -4.703 6.912 1.00 0.74 C ATOM 557 O ASP A 47 -11.378 -5.057 6.002 1.00 0.81 O ATOM 558 CB ASP A 47 -14.344 -3.586 7.242 1.00 0.75 C ATOM 559 CG ASP A 47 -15.203 -2.369 6.959 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.750 -1.242 7.250 1.00 1.88 O ATOM 561 OD2 ASP A 47 -16.329 -2.542 6.449 1.00 2.11 O ATOM 0 H ASP A 47 -13.715 -2.676 5.041 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.418 -2.675 7.521 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.750 -4.445 6.708 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.391 -3.820 8.305 1.00 0.75 H new ATOM 566 N GLU A 48 -12.330 -5.431 8.007 1.00 0.76 N ATOM 567 CA GLU A 48 -11.665 -6.714 8.204 1.00 0.82 C ATOM 568 C GLU A 48 -12.503 -7.854 7.634 1.00 0.79 C ATOM 569 O GLU A 48 -12.050 -8.594 6.761 1.00 0.83 O ATOM 570 CB GLU A 48 -11.401 -6.952 9.691 1.00 0.92 C ATOM 571 CG GLU A 48 -10.207 -6.180 10.228 1.00 1.39 C ATOM 572 CD GLU A 48 -10.288 -5.945 11.723 1.00 1.59 C ATOM 573 OE1 GLU A 48 -10.759 -6.852 12.441 1.00 2.30 O ATOM 574 OE2 GLU A 48 -9.883 -4.854 12.176 1.00 1.81 O ATOM 0 H GLU A 48 -12.948 -5.154 8.770 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.713 -6.687 7.674 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -12.289 -6.673 10.258 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.239 -8.017 9.857 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -9.293 -6.727 9.999 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -10.140 -5.220 9.716 1.00 1.39 H new ATOM 581 N ALA A 49 -13.727 -7.993 8.135 1.00 0.86 N ATOM 582 CA ALA A 49 -14.630 -9.045 7.679 1.00 0.89 C ATOM 583 C ALA A 49 -14.743 -9.060 6.158 1.00 0.83 C ATOM 584 O ALA A 49 -14.534 -10.091 5.517 1.00 0.80 O ATOM 585 CB ALA A 49 -16.003 -8.869 8.309 1.00 0.99 C ATOM 0 H ALA A 49 -14.117 -7.389 8.858 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.215 -10.003 7.992 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.667 -9.660 7.961 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.915 -8.921 9.394 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.412 -7.900 8.024 1.00 0.99 H new ATOM 591 N GLU A 50 -15.073 -7.907 5.590 1.00 0.87 N ATOM 592 CA GLU A 50 -15.217 -7.773 4.144 1.00 0.88 C ATOM 593 C GLU A 50 -13.976 -8.288 3.421 1.00 0.84 C ATOM 594 O GLU A 50 -14.066 -9.161 2.560 1.00 0.85 O ATOM 595 CB GLU A 50 -15.470 -6.312 3.768 1.00 0.98 C ATOM 596 CG GLU A 50 -16.362 -6.143 2.549 1.00 1.52 C ATOM 597 CD GLU A 50 -16.711 -4.692 2.280 1.00 1.54 C ATOM 598 OE1 GLU A 50 -16.721 -3.895 3.241 1.00 1.85 O ATOM 599 OE2 GLU A 50 -16.975 -4.354 1.106 1.00 2.17 O ATOM 0 H GLU A 50 -15.247 -7.047 6.110 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.071 -8.375 3.834 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -15.927 -5.801 4.616 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.514 -5.823 3.579 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.861 -6.560 1.676 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -17.280 -6.713 2.693 1.00 1.52 H new ATOM 606 N SER A 51 -12.818 -7.744 3.784 1.00 0.87 N ATOM 607 CA SER A 51 -11.555 -8.149 3.174 1.00 0.92 C ATOM 608 C SER A 51 -11.331 -9.648 3.341 1.00 0.84 C ATOM 609 O SER A 51 -11.199 -10.383 2.360 1.00 0.83 O ATOM 610 CB SER A 51 -10.394 -7.376 3.803 1.00 1.04 C ATOM 611 OG SER A 51 -9.162 -8.049 3.601 1.00 1.90 O ATOM 0 H SER A 51 -12.728 -7.021 4.498 1.00 0.87 H new ATOM 0 HA SER A 51 -11.601 -7.922 2.109 1.00 0.92 H new ATOM 0 HB2 SER A 51 -10.341 -6.377 3.370 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.573 -7.251 4.871 1.00 1.04 H new ATOM 0 HG SER A 51 -8.505 -7.731 4.255 1.00 1.90 H new ATOM 617 N HIS A 52 -11.297 -10.093 4.594 1.00 0.86 N ATOM 618 CA HIS A 52 -11.096 -11.504 4.904 1.00 0.86 C ATOM 619 C HIS A 52 -12.001 -12.375 4.045 1.00 0.83 C ATOM 620 O HIS A 52 -11.534 -13.289 3.366 1.00 0.90 O ATOM 621 CB HIS A 52 -11.361 -11.755 6.386 1.00 0.94 C ATOM 622 CG HIS A 52 -10.500 -10.920 7.278 1.00 0.99 C ATOM 623 ND1 HIS A 52 -10.770 -10.307 8.455 1.00 1.39 N flip ATOM 624 CD2 HIS A 52 -9.183 -10.637 6.992 1.00 1.61 C flip ATOM 625 CE1 HIS A 52 -9.617 -9.673 8.855 1.00 1.28 C flip ATOM 626 NE2 HIS A 52 -8.676 -9.891 7.953 1.00 1.39 N flip ATOM 0 H HIS A 52 -11.406 -9.494 5.413 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.062 -11.767 4.683 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.409 -11.548 6.603 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.191 -12.809 6.607 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -8.649 -10.974 6.116 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -9.500 -9.092 9.758 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -7.719 -9.541 7.994 1.00 1.39 H new ATOM 635 N GLU A 53 -13.293 -12.068 4.055 1.00 0.86 N ATOM 636 CA GLU A 53 -14.247 -12.812 3.247 1.00 0.95 C ATOM 637 C GLU A 53 -13.897 -12.656 1.772 1.00 0.94 C ATOM 638 O GLU A 53 -14.118 -13.558 0.968 1.00 0.95 O ATOM 639 CB GLU A 53 -15.671 -12.317 3.508 1.00 1.10 C ATOM 640 CG GLU A 53 -16.426 -13.145 4.534 1.00 1.68 C ATOM 641 CD GLU A 53 -15.864 -12.990 5.934 1.00 2.38 C ATOM 642 OE1 GLU A 53 -14.850 -13.650 6.243 1.00 2.71 O ATOM 643 OE2 GLU A 53 -16.437 -12.208 6.721 1.00 3.10 O ATOM 0 H GLU A 53 -13.700 -11.315 4.610 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.196 -13.866 3.519 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.630 -11.282 3.848 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.226 -12.323 2.570 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -17.475 -12.850 4.533 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -16.390 -14.196 4.246 1.00 1.68 H new ATOM 650 N LEU A 54 -13.334 -11.497 1.434 1.00 0.95 N ATOM 651 CA LEU A 54 -12.933 -11.201 0.065 1.00 1.00 C ATOM 652 C LEU A 54 -11.833 -12.149 -0.398 1.00 0.89 C ATOM 653 O LEU A 54 -11.809 -12.572 -1.554 1.00 0.93 O ATOM 654 CB LEU A 54 -12.440 -9.755 -0.036 1.00 1.06 C ATOM 655 CG LEU A 54 -13.057 -8.924 -1.164 1.00 1.15 C ATOM 656 CD1 LEU A 54 -13.243 -9.762 -2.420 1.00 1.23 C ATOM 657 CD2 LEU A 54 -14.383 -8.331 -0.722 1.00 1.24 C ATOM 0 H LEU A 54 -13.145 -10.745 2.097 1.00 0.95 H new ATOM 0 HA LEU A 54 -13.802 -11.336 -0.579 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -12.640 -9.255 0.911 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.358 -9.767 -0.168 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.371 -8.110 -1.398 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.683 -9.148 -3.206 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -12.276 -10.139 -2.753 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -13.904 -10.601 -2.203 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -14.808 -7.743 -1.536 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -15.070 -9.134 -0.457 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.224 -7.689 0.144 1.00 1.24 H new ATOM 663 N ASN A 55 -10.924 -12.477 0.509 1.00 0.78 N ATOM 664 CA ASN A 55 -9.819 -13.374 0.186 1.00 0.71 C ATOM 665 C ASN A 55 -10.329 -14.779 -0.094 1.00 0.69 C ATOM 666 O ASN A 55 -10.144 -15.324 -1.186 1.00 0.74 O ATOM 667 CB ASN A 55 -8.813 -13.434 1.338 1.00 0.68 C ATOM 668 CG ASN A 55 -8.678 -12.119 2.083 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.970 -11.052 1.542 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.226 -12.190 3.332 1.00 1.42 N ATOM 0 H ASN A 55 -10.928 -12.138 1.471 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.328 -12.981 -0.704 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.119 -14.211 2.038 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.838 -13.724 0.946 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.109 -11.338 3.881 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.996 -13.096 3.740 1.00 1.42 H new ATOM 675 N LEU A 56 -10.958 -15.362 0.911 1.00 0.71 N ATOM 676 CA LEU A 56 -11.487 -16.711 0.794 1.00 0.79 C ATOM 677 C LEU A 56 -12.547 -16.799 -0.294 1.00 0.87 C ATOM 678 O LEU A 56 -12.515 -17.709 -1.122 1.00 0.97 O ATOM 679 CB LEU A 56 -12.041 -17.186 2.137 1.00 0.84 C ATOM 680 CG LEU A 56 -10.989 -17.363 3.235 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.668 -16.028 3.890 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.462 -18.366 4.274 1.00 0.92 C ATOM 0 H LEU A 56 -11.115 -14.923 1.818 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.668 -17.370 0.506 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.788 -16.470 2.480 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.554 -18.136 1.988 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.079 -17.748 2.776 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.918 -16.175 4.668 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -10.282 -15.338 3.140 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -11.573 -15.613 4.333 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.700 -18.477 5.045 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.388 -18.011 4.727 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -11.638 -19.330 3.796 1.00 0.92 H new ATOM 688 N THR A 57 -13.473 -15.844 -0.317 1.00 0.93 N ATOM 689 CA THR A 57 -14.506 -15.841 -1.347 1.00 1.09 C ATOM 690 C THR A 57 -13.847 -15.874 -2.724 1.00 1.14 C ATOM 691 O THR A 57 -14.434 -16.344 -3.698 1.00 1.27 O ATOM 692 CB THR A 57 -15.420 -14.616 -1.218 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.623 -14.813 -1.939 1.00 1.51 O ATOM 694 CG2 THR A 57 -14.795 -13.333 -1.720 1.00 1.45 C ATOM 0 H THR A 57 -13.530 -15.076 0.352 1.00 0.93 H new ATOM 0 HA THR A 57 -15.128 -16.727 -1.219 1.00 1.09 H new ATOM 0 HB THR A 57 -15.605 -14.512 -0.149 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.194 -14.022 -1.844 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.501 -12.512 -1.596 1.00 1.45 H new ATOM 0 HG22 THR A 57 -13.890 -13.122 -1.151 1.00 1.45 H new ATOM 0 HG23 THR A 57 -14.544 -13.439 -2.775 1.00 1.45 H new ATOM 699 N TYR A 58 -12.608 -15.383 -2.781 1.00 1.08 N ATOM 700 CA TYR A 58 -11.846 -15.364 -4.019 1.00 1.17 C ATOM 701 C TYR A 58 -11.179 -16.714 -4.260 1.00 1.08 C ATOM 702 O TYR A 58 -11.230 -17.245 -5.369 1.00 1.19 O ATOM 703 CB TYR A 58 -10.772 -14.270 -3.976 1.00 1.25 C ATOM 704 CG TYR A 58 -11.228 -12.914 -4.471 1.00 1.20 C ATOM 705 CD1 TYR A 58 -12.134 -12.793 -5.519 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.739 -11.751 -3.891 1.00 1.25 C ATOM 707 CE1 TYR A 58 -12.538 -11.550 -5.969 1.00 2.23 C ATOM 708 CE2 TYR A 58 -11.140 -10.507 -4.333 1.00 1.55 C ATOM 709 CZ TYR A 58 -12.040 -10.411 -5.374 1.00 2.11 C ATOM 710 OH TYR A 58 -12.441 -9.172 -5.822 1.00 2.74 O ATOM 0 H TYR A 58 -12.114 -14.993 -1.978 1.00 1.08 H new ATOM 0 HA TYR A 58 -12.539 -15.155 -4.834 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -10.419 -14.167 -2.950 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -9.920 -14.593 -4.575 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -12.528 -13.683 -5.988 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -10.031 -11.822 -3.078 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -13.242 -11.472 -6.784 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -10.752 -9.614 -3.867 1.00 1.55 H new ATOM 0 HH TYR A 58 -11.998 -8.474 -5.295 1.00 2.74 H new ATOM 720 N ARG A 59 -10.535 -17.265 -3.226 1.00 0.99 N ATOM 721 CA ARG A 59 -9.850 -18.550 -3.381 1.00 0.99 C ATOM 722 C ARG A 59 -9.691 -19.324 -2.070 1.00 0.90 C ATOM 723 O ARG A 59 -9.688 -20.555 -2.070 1.00 0.97 O ATOM 724 CB ARG A 59 -8.472 -18.318 -4.001 1.00 1.05 C ATOM 725 CG ARG A 59 -7.459 -17.682 -3.056 1.00 1.58 C ATOM 726 CD ARG A 59 -7.669 -16.181 -2.929 1.00 1.65 C ATOM 727 NE ARG A 59 -7.207 -15.462 -4.115 1.00 2.22 N ATOM 728 CZ ARG A 59 -5.931 -15.171 -4.353 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.987 -15.538 -3.496 1.00 3.08 N ATOM 730 NH2 ARG A 59 -5.597 -14.511 -5.455 1.00 3.32 N ATOM 0 H ARG A 59 -10.474 -16.853 -2.295 1.00 0.99 H new ATOM 0 HA ARG A 59 -10.477 -19.161 -4.030 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.077 -19.273 -4.349 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.584 -17.680 -4.878 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.539 -18.145 -2.072 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.450 -17.878 -3.419 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -8.727 -15.975 -2.769 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -7.137 -15.813 -2.052 1.00 1.65 H new ATOM 0 HE ARG A 59 -7.903 -15.166 -4.799 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.238 -16.047 -2.648 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.011 -15.311 -3.685 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -6.318 -14.228 -6.118 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -4.619 -14.287 -5.639 1.00 3.32 H new ATOM 744 N GLY A 60 -9.528 -18.611 -0.966 1.00 0.81 N ATOM 745 CA GLY A 60 -9.337 -19.265 0.320 1.00 0.80 C ATOM 746 C GLY A 60 -8.038 -18.838 0.978 1.00 0.78 C ATOM 747 O GLY A 60 -7.361 -19.638 1.622 1.00 0.88 O ATOM 0 H GLY A 60 -9.524 -17.592 -0.933 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.173 -19.027 0.977 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.337 -20.346 0.182 1.00 0.80 H new ATOM 751 N LYS A 61 -7.696 -17.566 0.801 1.00 0.76 N ATOM 752 CA LYS A 61 -6.475 -17.000 1.359 1.00 0.90 C ATOM 753 C LYS A 61 -6.454 -17.093 2.882 1.00 0.95 C ATOM 754 O LYS A 61 -7.216 -17.849 3.482 1.00 1.42 O ATOM 755 CB LYS A 61 -6.313 -15.546 0.914 1.00 1.17 C ATOM 756 CG LYS A 61 -4.929 -15.231 0.370 1.00 1.31 C ATOM 757 CD LYS A 61 -4.798 -13.763 -0.007 1.00 1.00 C ATOM 758 CE LYS A 61 -3.986 -13.583 -1.280 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.823 -12.677 -1.073 1.00 2.13 N ATOM 0 H LYS A 61 -8.256 -16.901 0.268 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.637 -17.585 0.981 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.056 -15.324 0.148 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.521 -14.890 1.759 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.177 -15.484 1.117 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.731 -15.851 -0.504 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -5.790 -13.332 -0.143 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.323 -13.218 0.809 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.632 -14.554 -1.626 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -4.626 -13.179 -2.065 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.185 -12.738 -1.892 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -3.160 -11.699 -0.968 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.310 -12.961 -0.214 1.00 2.13 H new ATOM 773 N ASP A 62 -5.547 -16.330 3.490 1.00 1.17 N ATOM 774 CA ASP A 62 -5.371 -16.312 4.941 1.00 1.25 C ATOM 775 C ASP A 62 -6.694 -16.134 5.691 1.00 1.66 C ATOM 776 O ASP A 62 -7.776 -16.303 5.130 1.00 2.50 O ATOM 777 CB ASP A 62 -4.396 -15.198 5.331 1.00 1.84 C ATOM 778 CG ASP A 62 -3.338 -15.672 6.307 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.279 -16.150 5.850 1.00 3.06 O ATOM 780 OD2 ASP A 62 -3.569 -15.566 7.531 1.00 2.95 O ATOM 0 H ASP A 62 -4.913 -15.707 2.990 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.966 -17.282 5.230 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.912 -14.812 4.434 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.951 -14.372 5.774 1.00 1.84 H new ATOM 785 N ARG A 63 -6.588 -15.800 6.974 1.00 1.71 N ATOM 786 CA ARG A 63 -7.753 -15.609 7.827 1.00 2.49 C ATOM 787 C ARG A 63 -7.715 -14.223 8.470 1.00 2.22 C ATOM 788 O ARG A 63 -6.834 -13.427 8.155 1.00 1.77 O ATOM 789 CB ARG A 63 -7.779 -16.704 8.898 1.00 3.33 C ATOM 790 CG ARG A 63 -9.011 -17.594 8.830 1.00 4.23 C ATOM 791 CD ARG A 63 -8.919 -18.583 7.681 1.00 4.88 C ATOM 792 NE ARG A 63 -7.648 -19.306 7.681 1.00 5.84 N ATOM 793 CZ ARG A 63 -7.392 -20.356 8.455 1.00 6.66 C ATOM 794 NH1 ARG A 63 -8.312 -20.810 9.298 1.00 6.76 N ATOM 795 NH2 ARG A 63 -6.211 -20.956 8.390 1.00 7.66 N ATOM 0 H ARG A 63 -5.697 -15.655 7.448 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.660 -15.677 7.227 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.888 -17.323 8.794 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.731 -16.239 9.883 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.123 -18.135 9.770 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -9.901 -16.977 8.710 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -9.741 -19.295 7.749 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -9.034 -18.052 6.736 1.00 4.88 H new ATOM 0 HE ARG A 63 -6.914 -18.986 7.049 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -9.222 -20.353 9.355 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -8.109 -21.616 9.889 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -5.499 -20.612 7.746 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -6.015 -21.762 8.984 1.00 7.66 H new ATOM 809 N PRO A 64 -8.670 -13.906 9.372 1.00 3.04 N ATOM 810 CA PRO A 64 -8.724 -12.599 10.037 1.00 3.30 C ATOM 811 C PRO A 64 -7.354 -12.094 10.486 1.00 2.79 C ATOM 812 O PRO A 64 -6.961 -12.266 11.640 1.00 3.00 O ATOM 813 CB PRO A 64 -9.623 -12.869 11.238 1.00 4.45 C ATOM 814 CG PRO A 64 -10.570 -13.909 10.752 1.00 4.81 C ATOM 815 CD PRO A 64 -9.781 -14.780 9.810 1.00 4.12 C ATOM 0 HA PRO A 64 -9.089 -11.817 9.370 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -9.049 -13.221 12.095 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -10.148 -11.968 11.554 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.968 -14.493 11.582 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.421 -13.455 10.244 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.413 -15.677 10.308 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.388 -15.110 8.967 1.00 4.12 H new ATOM 823 N THR A 65 -6.637 -11.468 9.559 1.00 2.27 N ATOM 824 CA THR A 65 -5.313 -10.929 9.835 1.00 2.01 C ATOM 825 C THR A 65 -5.375 -9.413 10.006 1.00 1.59 C ATOM 826 O THR A 65 -6.455 -8.835 10.125 1.00 1.81 O ATOM 827 CB THR A 65 -4.358 -11.289 8.693 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.017 -11.006 9.050 1.00 2.47 O ATOM 829 CG2 THR A 65 -4.656 -10.550 7.403 1.00 2.82 C ATOM 0 H THR A 65 -6.956 -11.321 8.601 1.00 2.27 H new ATOM 0 HA THR A 65 -4.945 -11.366 10.763 1.00 2.01 H new ATOM 0 HB THR A 65 -4.505 -12.356 8.523 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.423 -11.245 8.308 1.00 2.47 H new ATOM 0 HG21 THR A 65 -3.942 -10.853 6.637 1.00 2.82 H new ATOM 0 HG22 THR A 65 -5.667 -10.789 7.072 1.00 2.82 H new ATOM 0 HG23 THR A 65 -4.574 -9.476 7.572 1.00 2.82 H new ATOM 834 N ASN A 66 -4.209 -8.775 10.009 1.00 1.36 N ATOM 835 CA ASN A 66 -4.133 -7.325 10.156 1.00 1.09 C ATOM 836 C ASN A 66 -3.557 -6.676 8.896 1.00 0.83 C ATOM 837 O ASN A 66 -3.720 -5.476 8.677 1.00 1.09 O ATOM 838 CB ASN A 66 -3.285 -6.956 11.377 1.00 1.37 C ATOM 839 CG ASN A 66 -1.813 -7.262 11.184 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.446 -8.336 10.705 1.00 2.36 O ATOM 841 ND2 ASN A 66 -0.959 -6.317 11.559 1.00 1.35 N ATOM 0 H ASN A 66 -3.305 -9.238 9.912 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.145 -6.947 10.303 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.406 -5.894 11.590 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.653 -7.499 12.247 1.00 1.37 H new ATOM 0 HD21 ASN A 66 0.045 -6.466 11.455 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.307 -5.442 11.951 1.00 1.35 H new ATOM 846 N VAL A 67 -2.883 -7.475 8.070 1.00 0.71 N ATOM 847 CA VAL A 67 -2.288 -6.974 6.838 1.00 0.79 C ATOM 848 C VAL A 67 -2.279 -8.048 5.754 1.00 0.79 C ATOM 849 O VAL A 67 -1.559 -9.041 5.857 1.00 0.81 O ATOM 850 CB VAL A 67 -0.846 -6.488 7.068 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.841 -5.179 7.843 1.00 1.59 C ATOM 852 CG2 VAL A 67 -0.034 -7.550 7.793 1.00 1.51 C ATOM 0 H VAL A 67 -2.737 -8.471 8.234 1.00 0.71 H new ATOM 0 HA VAL A 67 -2.901 -6.134 6.511 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.382 -6.310 6.098 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.187 -4.851 7.996 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.384 -4.420 7.279 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.323 -5.327 8.810 1.00 1.59 H new ATOM 0 HG21 VAL A 67 0.983 -7.189 7.947 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.493 -7.763 8.758 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -0.009 -8.460 7.194 1.00 1.51 H new ATOM 856 N LEU A 68 -3.078 -7.837 4.713 1.00 0.86 N ATOM 857 CA LEU A 68 -3.158 -8.783 3.606 1.00 0.89 C ATOM 858 C LEU A 68 -3.161 -8.045 2.271 1.00 0.81 C ATOM 859 O LEU A 68 -3.871 -7.054 2.102 1.00 0.75 O ATOM 860 CB LEU A 68 -4.415 -9.649 3.732 1.00 0.99 C ATOM 861 CG LEU A 68 -4.640 -10.631 2.579 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.203 -12.034 2.977 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.100 -10.632 2.152 1.00 1.10 C ATOM 0 H LEU A 68 -3.679 -7.019 4.613 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.282 -9.430 3.645 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.359 -10.212 4.664 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.283 -8.994 3.807 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.034 -10.307 1.733 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.371 -12.717 2.144 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.143 -12.026 3.232 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.782 -12.364 3.840 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.239 -11.336 1.332 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.725 -10.928 2.994 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.384 -9.632 1.824 1.00 1.10 H new ATOM 869 N SER A 69 -2.357 -8.526 1.328 1.00 0.96 N ATOM 870 CA SER A 69 -2.266 -7.897 0.015 1.00 0.97 C ATOM 871 C SER A 69 -2.472 -8.911 -1.106 1.00 0.86 C ATOM 872 O SER A 69 -2.486 -10.119 -0.874 1.00 0.89 O ATOM 873 CB SER A 69 -0.907 -7.213 -0.148 1.00 1.18 C ATOM 874 OG SER A 69 -0.343 -6.894 1.112 1.00 1.85 O ATOM 0 H SER A 69 -1.762 -9.346 1.448 1.00 0.96 H new ATOM 0 HA SER A 69 -3.059 -7.152 -0.052 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.230 -7.867 -0.698 1.00 1.18 H new ATOM 0 HB3 SER A 69 -1.022 -6.304 -0.739 1.00 1.18 H new ATOM 0 HG SER A 69 0.591 -6.623 0.993 1.00 1.85 H new ATOM 880 N PHE A 70 -2.630 -8.402 -2.325 1.00 0.81 N ATOM 881 CA PHE A 70 -2.833 -9.252 -3.494 1.00 0.82 C ATOM 882 C PHE A 70 -1.814 -8.921 -4.583 1.00 0.91 C ATOM 883 O PHE A 70 -2.068 -8.081 -5.449 1.00 1.03 O ATOM 884 CB PHE A 70 -4.252 -9.079 -4.039 1.00 0.89 C ATOM 885 CG PHE A 70 -5.323 -9.579 -3.110 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.442 -10.931 -2.830 1.00 1.81 C ATOM 887 CD2 PHE A 70 -6.212 -8.696 -2.518 1.00 1.16 C ATOM 888 CE1 PHE A 70 -6.427 -11.392 -1.977 1.00 2.03 C ATOM 889 CE2 PHE A 70 -7.199 -9.152 -1.664 1.00 1.33 C ATOM 890 CZ PHE A 70 -7.307 -10.501 -1.393 1.00 1.48 C ATOM 0 H PHE A 70 -2.621 -7.403 -2.529 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.695 -10.289 -3.189 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.426 -8.023 -4.245 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -4.333 -9.606 -4.990 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.757 -11.632 -3.283 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -6.133 -7.639 -2.726 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.509 -12.448 -1.767 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.885 -8.453 -1.209 1.00 1.33 H new ATOM 0 HZ PHE A 70 -8.077 -10.859 -0.726 1.00 1.48 H new ATOM 900 N PRO A 71 -0.639 -9.574 -4.549 1.00 0.95 N ATOM 901 CA PRO A 71 0.427 -9.348 -5.530 1.00 1.11 C ATOM 902 C PRO A 71 0.072 -9.903 -6.905 1.00 1.11 C ATOM 903 O PRO A 71 -0.642 -10.901 -7.017 1.00 1.14 O ATOM 904 CB PRO A 71 1.636 -10.099 -4.947 1.00 1.18 C ATOM 905 CG PRO A 71 1.247 -10.473 -3.553 1.00 1.13 C ATOM 906 CD PRO A 71 -0.249 -10.577 -3.551 1.00 0.95 C ATOM 0 HA PRO A 71 0.611 -8.285 -5.685 1.00 1.11 H new ATOM 0 HB2 PRO A 71 1.870 -10.984 -5.539 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.526 -9.470 -4.950 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.704 -11.419 -3.262 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.586 -9.722 -2.839 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.587 -11.576 -3.827 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.670 -10.358 -2.570 1.00 0.95 H new ATOM 914 N PHE A 72 0.576 -9.253 -7.950 1.00 1.22 N ATOM 915 CA PHE A 72 0.312 -9.688 -9.317 1.00 1.28 C ATOM 916 C PHE A 72 0.897 -11.077 -9.566 1.00 1.36 C ATOM 917 O PHE A 72 1.772 -11.532 -8.830 1.00 1.47 O ATOM 918 CB PHE A 72 0.886 -8.678 -10.320 1.00 1.36 C ATOM 919 CG PHE A 72 2.371 -8.799 -10.530 1.00 1.05 C ATOM 920 CD1 PHE A 72 3.260 -8.428 -9.533 1.00 1.65 C ATOM 921 CD2 PHE A 72 2.877 -9.286 -11.725 1.00 1.38 C ATOM 922 CE1 PHE A 72 4.624 -8.540 -9.725 1.00 1.83 C ATOM 923 CE2 PHE A 72 4.240 -9.400 -11.922 1.00 1.46 C ATOM 924 CZ PHE A 72 5.114 -9.028 -10.920 1.00 1.39 C ATOM 0 H PHE A 72 1.168 -8.426 -7.876 1.00 1.22 H new ATOM 0 HA PHE A 72 -0.768 -9.742 -9.456 1.00 1.28 H new ATOM 0 HB2 PHE A 72 0.382 -8.807 -11.278 1.00 1.36 H new ATOM 0 HB3 PHE A 72 0.660 -7.669 -9.974 1.00 1.36 H new ATOM 0 HD1 PHE A 72 2.882 -8.047 -8.596 1.00 1.65 H new ATOM 0 HD2 PHE A 72 2.198 -9.580 -12.512 1.00 1.38 H new ATOM 0 HE1 PHE A 72 5.306 -8.246 -8.941 1.00 1.83 H new ATOM 0 HE2 PHE A 72 4.621 -9.780 -12.859 1.00 1.46 H new ATOM 0 HZ PHE A 72 6.180 -9.119 -11.071 1.00 1.39 H new ATOM 934 N GLU A 73 0.406 -11.746 -10.604 1.00 1.56 N ATOM 935 CA GLU A 73 0.881 -13.082 -10.946 1.00 1.67 C ATOM 936 C GLU A 73 2.379 -13.071 -11.240 1.00 1.31 C ATOM 937 O GLU A 73 2.823 -12.477 -12.223 1.00 1.43 O ATOM 938 CB GLU A 73 0.116 -13.625 -12.155 1.00 2.21 C ATOM 939 CG GLU A 73 0.208 -12.734 -13.383 1.00 2.25 C ATOM 940 CD GLU A 73 -0.856 -13.052 -14.414 1.00 2.36 C ATOM 941 OE1 GLU A 73 -1.960 -13.478 -14.015 1.00 2.89 O ATOM 942 OE2 GLU A 73 -0.585 -12.875 -15.621 1.00 2.62 O ATOM 0 H GLU A 73 -0.320 -11.385 -11.223 1.00 1.56 H new ATOM 0 HA GLU A 73 0.703 -13.732 -10.090 1.00 1.67 H new ATOM 0 HB2 GLU A 73 0.501 -14.614 -12.404 1.00 2.21 H new ATOM 0 HB3 GLU A 73 -0.933 -13.750 -11.885 1.00 2.21 H new ATOM 0 HG2 GLU A 73 0.114 -11.691 -13.079 1.00 2.25 H new ATOM 0 HG3 GLU A 73 1.193 -12.846 -13.836 1.00 2.25 H new ATOM 949 N CYS A 74 3.150 -13.730 -10.382 1.00 1.48 N ATOM 950 CA CYS A 74 4.597 -13.797 -10.549 1.00 1.68 C ATOM 951 C CYS A 74 5.015 -15.141 -11.146 1.00 1.76 C ATOM 952 O CYS A 74 5.051 -16.152 -10.445 1.00 2.31 O ATOM 953 CB CYS A 74 5.296 -13.587 -9.205 1.00 2.63 C ATOM 954 SG CYS A 74 7.086 -13.359 -9.332 1.00 3.95 S ATOM 0 H CYS A 74 2.797 -14.226 -9.563 1.00 1.48 H new ATOM 0 HA CYS A 74 4.895 -13.005 -11.235 1.00 1.68 H new ATOM 0 HB2 CYS A 74 4.863 -12.715 -8.715 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.094 -14.446 -8.565 1.00 2.63 H new ATOM 0 HG CYS A 74 7.587 -13.187 -8.145 1.00 3.95 H new ATOM 960 N PRO A 75 5.335 -15.176 -12.454 1.00 1.68 N ATOM 961 CA PRO A 75 5.745 -16.412 -13.129 1.00 2.01 C ATOM 962 C PRO A 75 7.004 -17.017 -12.517 1.00 2.43 C ATOM 963 O PRO A 75 6.947 -18.048 -11.846 1.00 3.08 O ATOM 964 CB PRO A 75 6.005 -15.976 -14.577 1.00 2.13 C ATOM 965 CG PRO A 75 6.157 -14.494 -14.526 1.00 2.21 C ATOM 966 CD PRO A 75 5.319 -14.025 -13.373 1.00 1.89 C ATOM 0 HA PRO A 75 4.985 -17.188 -13.042 1.00 2.01 H new ATOM 0 HB2 PRO A 75 6.903 -16.449 -14.974 1.00 2.13 H new ATOM 0 HB3 PRO A 75 5.179 -16.264 -15.228 1.00 2.13 H new ATOM 0 HG2 PRO A 75 7.201 -14.215 -14.387 1.00 2.21 H new ATOM 0 HG3 PRO A 75 5.826 -14.037 -15.459 1.00 2.21 H new ATOM 0 HD2 PRO A 75 5.738 -13.133 -12.908 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.306 -13.775 -13.687 1.00 1.89 H new ATOM 974 N ASP A 76 8.139 -16.372 -12.755 1.00 2.55 N ATOM 975 CA ASP A 76 9.414 -16.848 -12.230 1.00 3.28 C ATOM 976 C ASP A 76 10.054 -15.801 -11.319 1.00 3.54 C ATOM 977 O ASP A 76 9.884 -15.840 -10.101 1.00 4.33 O ATOM 978 CB ASP A 76 10.360 -17.196 -13.383 1.00 3.70 C ATOM 979 CG ASP A 76 10.282 -18.660 -13.772 1.00 4.37 C ATOM 980 OD1 ASP A 76 9.360 -19.024 -14.531 1.00 4.93 O ATOM 981 OD2 ASP A 76 11.144 -19.441 -13.317 1.00 4.70 O ATOM 0 H ASP A 76 8.203 -15.518 -13.308 1.00 2.55 H new ATOM 0 HA ASP A 76 9.228 -17.745 -11.639 1.00 3.28 H new ATOM 0 HB2 ASP A 76 10.116 -16.579 -14.248 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.383 -16.953 -13.096 1.00 3.70 H new ATOM 986 N GLU A 77 10.787 -14.866 -11.916 1.00 3.34 N ATOM 987 CA GLU A 77 11.449 -13.809 -11.160 1.00 4.10 C ATOM 988 C GLU A 77 11.024 -12.436 -11.669 1.00 4.12 C ATOM 989 O GLU A 77 10.875 -11.493 -10.891 1.00 4.72 O ATOM 990 CB GLU A 77 12.969 -13.956 -11.259 1.00 4.59 C ATOM 991 CG GLU A 77 13.466 -15.357 -10.945 1.00 5.37 C ATOM 992 CD GLU A 77 14.736 -15.707 -11.694 1.00 6.17 C ATOM 993 OE1 GLU A 77 14.736 -15.611 -12.940 1.00 6.84 O ATOM 994 OE2 GLU A 77 15.732 -16.076 -11.036 1.00 6.39 O ATOM 0 H GLU A 77 10.938 -14.819 -12.924 1.00 3.34 H new ATOM 0 HA GLU A 77 11.152 -13.900 -10.115 1.00 4.10 H new ATOM 0 HB2 GLU A 77 13.287 -13.684 -12.265 1.00 4.59 H new ATOM 0 HB3 GLU A 77 13.439 -13.251 -10.574 1.00 4.59 H new ATOM 0 HG2 GLU A 77 13.645 -15.443 -9.873 1.00 5.37 H new ATOM 0 HG3 GLU A 77 12.689 -16.079 -11.197 1.00 5.37 H new ATOM 1001 N VAL A 78 10.825 -12.336 -12.981 1.00 3.88 N ATOM 1002 CA VAL A 78 10.410 -11.084 -13.611 1.00 4.32 C ATOM 1003 C VAL A 78 11.353 -9.941 -13.247 1.00 4.59 C ATOM 1004 O VAL A 78 12.235 -10.093 -12.400 1.00 4.66 O ATOM 1005 CB VAL A 78 8.961 -10.687 -13.232 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.150 -10.391 -14.483 1.00 3.62 C ATOM 1007 CG2 VAL A 78 8.281 -11.773 -12.407 1.00 4.61 C ATOM 0 H VAL A 78 10.945 -13.112 -13.632 1.00 3.88 H new ATOM 0 HA VAL A 78 10.449 -11.259 -14.686 1.00 4.32 H new ATOM 0 HB VAL A 78 9.013 -9.787 -12.620 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.134 -10.114 -14.201 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.612 -9.569 -15.030 1.00 3.62 H new ATOM 0 HG13 VAL A 78 8.121 -11.278 -15.116 1.00 3.62 H new ATOM 0 HG21 VAL A 78 7.267 -11.460 -12.159 1.00 4.61 H new ATOM 0 HG22 VAL A 78 8.245 -12.698 -12.982 1.00 4.61 H new ATOM 0 HG23 VAL A 78 8.844 -11.938 -11.488 1.00 4.61 H new ATOM 1011 N GLU A 79 11.164 -8.796 -13.896 1.00 5.02 N ATOM 1012 CA GLU A 79 11.999 -7.628 -13.644 1.00 5.37 C ATOM 1013 C GLU A 79 11.227 -6.336 -13.901 1.00 4.83 C ATOM 1014 O GLU A 79 11.344 -5.735 -14.968 1.00 5.25 O ATOM 1015 CB GLU A 79 13.249 -7.672 -14.525 1.00 6.47 C ATOM 1016 CG GLU A 79 14.200 -8.804 -14.176 1.00 7.05 C ATOM 1017 CD GLU A 79 15.607 -8.563 -14.687 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.239 -7.582 -14.244 1.00 8.13 O ATOM 1019 OE2 GLU A 79 16.077 -9.357 -15.529 1.00 8.58 O ATOM 0 H GLU A 79 10.440 -8.653 -14.600 1.00 5.02 H new ATOM 0 HA GLU A 79 12.298 -7.646 -12.596 1.00 5.37 H new ATOM 0 HB2 GLU A 79 12.945 -7.772 -15.567 1.00 6.47 H new ATOM 0 HB3 GLU A 79 13.779 -6.723 -14.437 1.00 6.47 H new ATOM 0 HG2 GLU A 79 14.227 -8.930 -13.094 1.00 7.05 H new ATOM 0 HG3 GLU A 79 13.820 -9.735 -14.596 1.00 7.05 H new ATOM 1026 N LEU A 80 10.441 -5.915 -12.916 1.00 4.12 N ATOM 1027 CA LEU A 80 9.654 -4.693 -13.037 1.00 3.69 C ATOM 1028 C LEU A 80 9.157 -4.225 -11.670 1.00 3.19 C ATOM 1029 O LEU A 80 8.819 -5.040 -10.812 1.00 2.62 O ATOM 1030 CB LEU A 80 8.465 -4.914 -13.976 1.00 3.48 C ATOM 1031 CG LEU A 80 7.676 -6.201 -13.730 1.00 3.52 C ATOM 1032 CD1 LEU A 80 6.251 -6.059 -14.243 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.368 -7.384 -14.391 1.00 3.62 C ATOM 0 H LEU A 80 10.332 -6.401 -12.026 1.00 4.12 H new ATOM 0 HA LEU A 80 10.298 -3.919 -13.454 1.00 3.69 H new ATOM 0 HB2 LEU A 80 7.786 -4.066 -13.883 1.00 3.48 H new ATOM 0 HB3 LEU A 80 8.829 -4.920 -15.003 1.00 3.48 H new ATOM 0 HG LEU A 80 7.637 -6.382 -12.656 1.00 3.52 H new ATOM 0 HD11 LEU A 80 5.704 -6.984 -14.060 1.00 4.01 H new ATOM 0 HD12 LEU A 80 5.758 -5.237 -13.724 1.00 4.01 H new ATOM 0 HD13 LEU A 80 6.268 -5.854 -15.313 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.793 -8.292 -14.206 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.438 -7.211 -15.465 1.00 3.62 H new ATOM 0 HD23 LEU A 80 9.370 -7.498 -13.976 1.00 3.62 H new ATOM 1039 N PRO A 81 9.106 -2.899 -11.448 1.00 3.80 N ATOM 1040 CA PRO A 81 8.648 -2.329 -10.179 1.00 3.74 C ATOM 1041 C PRO A 81 7.132 -2.394 -10.030 1.00 2.98 C ATOM 1042 O PRO A 81 6.395 -1.792 -10.811 1.00 3.21 O ATOM 1043 CB PRO A 81 9.115 -0.876 -10.262 1.00 4.99 C ATOM 1044 CG PRO A 81 9.117 -0.570 -11.719 1.00 5.53 C ATOM 1045 CD PRO A 81 9.491 -1.851 -12.416 1.00 4.94 C ATOM 0 HA PRO A 81 9.041 -2.871 -9.319 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.444 -0.211 -9.717 1.00 4.99 H new ATOM 0 HB3 PRO A 81 10.107 -0.752 -9.829 1.00 4.99 H new ATOM 0 HG2 PRO A 81 8.137 -0.221 -12.045 1.00 5.53 H new ATOM 0 HG3 PRO A 81 9.830 0.221 -11.950 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.959 -1.963 -13.361 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.556 -1.887 -12.644 1.00 4.94 H new ATOM 1053 N LEU A 82 6.672 -3.133 -9.025 1.00 2.52 N ATOM 1054 CA LEU A 82 5.242 -3.277 -8.777 1.00 1.87 C ATOM 1055 C LEU A 82 4.985 -3.933 -7.430 1.00 1.58 C ATOM 1056 O LEU A 82 5.784 -4.737 -6.951 1.00 2.06 O ATOM 1057 CB LEU A 82 4.585 -4.110 -9.881 1.00 1.92 C ATOM 1058 CG LEU A 82 5.512 -5.107 -10.570 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.186 -6.006 -9.546 1.00 2.25 C ATOM 1060 CD2 LEU A 82 4.747 -5.934 -11.593 1.00 2.10 C ATOM 0 H LEU A 82 7.268 -3.640 -8.371 1.00 2.52 H new ATOM 0 HA LEU A 82 4.806 -2.278 -8.771 1.00 1.87 H new ATOM 0 HB2 LEU A 82 3.743 -4.654 -9.453 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.178 -3.434 -10.633 1.00 1.92 H new ATOM 0 HG LEU A 82 6.286 -4.548 -11.096 1.00 1.91 H new ATOM 0 HD11 LEU A 82 6.843 -6.710 -10.056 1.00 2.25 H new ATOM 0 HD12 LEU A 82 6.772 -5.397 -8.857 1.00 2.25 H new ATOM 0 HD13 LEU A 82 5.427 -6.556 -8.989 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.426 -6.639 -12.073 1.00 2.10 H new ATOM 0 HD22 LEU A 82 3.949 -6.483 -11.094 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.317 -5.274 -12.347 1.00 2.10 H new ATOM 1066 N LEU A 83 3.856 -3.586 -6.833 1.00 1.15 N ATOM 1067 CA LEU A 83 3.467 -4.137 -5.540 1.00 1.18 C ATOM 1068 C LEU A 83 2.113 -4.835 -5.630 1.00 1.05 C ATOM 1069 O LEU A 83 1.786 -5.681 -4.797 1.00 1.39 O ATOM 1070 CB LEU A 83 3.417 -3.033 -4.483 1.00 1.20 C ATOM 1071 CG LEU A 83 4.707 -2.226 -4.331 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.903 -3.150 -4.183 1.00 3.13 C ATOM 1073 CD2 LEU A 83 4.894 -1.300 -5.521 1.00 2.48 C ATOM 0 H LEU A 83 3.188 -2.922 -7.224 1.00 1.15 H new ATOM 0 HA LEU A 83 4.216 -4.873 -5.248 1.00 1.18 H new ATOM 0 HB2 LEU A 83 2.605 -2.349 -4.731 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.172 -3.483 -3.521 1.00 1.20 H new ATOM 0 HG LEU A 83 4.630 -1.620 -3.428 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.811 -2.556 -4.076 1.00 3.13 H new ATOM 0 HD12 LEU A 83 5.773 -3.775 -3.300 1.00 3.13 H new ATOM 0 HD13 LEU A 83 5.985 -3.783 -5.067 1.00 3.13 H new ATOM 0 HD21 LEU A 83 5.816 -0.732 -5.399 1.00 2.48 H new ATOM 0 HD22 LEU A 83 4.950 -1.890 -6.436 1.00 2.48 H new ATOM 0 HD23 LEU A 83 4.050 -0.613 -5.583 1.00 2.48 H new ATOM 1079 N GLY A 84 1.327 -4.480 -6.643 1.00 0.86 N ATOM 1080 CA GLY A 84 0.020 -5.090 -6.811 1.00 1.17 C ATOM 1081 C GLY A 84 -1.026 -4.494 -5.889 1.00 1.02 C ATOM 1082 O GLY A 84 -0.979 -3.305 -5.574 1.00 0.95 O ATOM 0 H GLY A 84 1.571 -3.784 -7.348 1.00 0.86 H new ATOM 0 HA2 GLY A 84 -0.302 -4.970 -7.845 1.00 1.17 H new ATOM 0 HA3 GLY A 84 0.096 -6.161 -6.623 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.978 -5.322 -5.459 1.00 1.00 N ATOM 1087 CA ASP A 85 -3.043 -4.865 -4.573 1.00 0.88 C ATOM 1088 C ASP A 85 -2.656 -5.044 -3.107 1.00 0.82 C ATOM 1089 O ASP A 85 -1.792 -5.855 -2.777 1.00 0.93 O ATOM 1090 CB ASP A 85 -4.340 -5.622 -4.870 1.00 0.86 C ATOM 1091 CG ASP A 85 -5.415 -4.723 -5.449 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.975 -3.903 -4.690 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.698 -4.840 -6.659 1.00 2.17 O ATOM 0 H ASP A 85 -2.032 -6.309 -5.710 1.00 1.00 H new ATOM 0 HA ASP A 85 -3.200 -3.802 -4.756 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -4.133 -6.432 -5.569 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.709 -6.080 -3.952 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.305 -4.280 -2.232 1.00 0.73 N ATOM 1099 CA LEU A 86 -3.029 -4.353 -0.800 1.00 0.69 C ATOM 1100 C LEU A 86 -4.270 -4.015 0.021 1.00 0.60 C ATOM 1101 O LEU A 86 -4.728 -2.872 0.026 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.888 -3.403 -0.428 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.118 -3.779 0.839 1.00 0.94 C ATOM 1104 CD1 LEU A 86 -0.021 -2.763 1.118 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -2.064 -3.882 2.026 1.00 1.10 C ATOM 0 H LEU A 86 -4.025 -3.604 -2.489 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.734 -5.377 -0.571 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.187 -3.359 -1.261 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.297 -2.401 -0.302 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.653 -4.753 0.683 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.516 -3.047 2.023 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.673 -2.736 0.278 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.465 -1.777 1.254 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -1.499 -4.150 2.919 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -2.557 -2.922 2.183 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.815 -4.647 1.828 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.800 -5.010 0.726 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.978 -4.806 1.562 1.00 0.59 C ATOM 1113 C VAL A 87 -5.576 -4.235 2.916 1.00 0.66 C ATOM 1114 O VAL A 87 -5.429 -4.969 3.893 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.757 -6.117 1.780 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.102 -5.834 2.431 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.940 -6.857 0.463 1.00 1.15 C ATOM 0 H VAL A 87 -4.434 -5.962 0.735 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.625 -4.102 1.039 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.180 -6.754 2.450 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.639 -6.771 2.578 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.945 -5.351 3.395 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.687 -5.177 1.787 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.492 -7.780 0.638 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.495 -6.229 -0.233 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.964 -7.093 0.040 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.384 -2.922 2.961 1.00 0.57 N ATOM 1122 CA ILE A 88 -4.979 -2.249 4.188 1.00 0.66 C ATOM 1123 C ILE A 88 -6.153 -2.082 5.154 1.00 0.74 C ATOM 1124 O ILE A 88 -7.257 -1.718 4.750 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.349 -0.870 3.874 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.191 -0.581 4.831 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -5.388 0.245 3.932 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -1.863 -0.395 4.127 1.00 1.94 C ATOM 0 H ILE A 88 -5.503 -2.302 2.160 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.232 -2.878 4.672 1.00 0.66 H new ATOM 0 HB ILE A 88 -3.960 -0.904 2.856 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -3.419 0.317 5.405 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.105 -1.401 5.544 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -4.911 1.199 3.707 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -6.172 0.050 3.201 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -5.824 0.284 4.930 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.086 -0.193 4.864 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -1.614 -1.301 3.575 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -1.933 0.444 3.434 1.00 1.94 H new ATOM 1132 N CYS A 89 -5.899 -2.343 6.434 1.00 0.79 N ATOM 1133 CA CYS A 89 -6.928 -2.215 7.461 1.00 0.89 C ATOM 1134 C CYS A 89 -7.108 -0.752 7.853 1.00 0.78 C ATOM 1135 O CYS A 89 -6.220 -0.148 8.453 1.00 0.73 O ATOM 1136 CB CYS A 89 -6.558 -3.046 8.690 1.00 1.12 C ATOM 1137 SG CYS A 89 -7.968 -3.495 9.730 1.00 1.32 S ATOM 0 H CYS A 89 -4.990 -2.644 6.784 1.00 0.79 H new ATOM 0 HA CYS A 89 -7.869 -2.587 7.056 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.058 -3.957 8.362 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -5.841 -2.487 9.291 1.00 1.12 H new ATOM 0 HG CYS A 89 -7.569 -4.278 10.688 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.256 -0.187 7.498 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.549 1.212 7.799 1.00 0.91 C ATOM 1145 C ARG A 90 -9.125 1.391 9.204 1.00 0.81 C ATOM 1146 O ARG A 90 -9.373 2.515 9.634 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.521 1.783 6.767 1.00 1.14 C ATOM 1148 CG ARG A 90 -9.403 3.289 6.592 1.00 2.09 C ATOM 1149 CD ARG A 90 -10.766 3.964 6.604 1.00 2.56 C ATOM 1150 NE ARG A 90 -10.670 5.394 6.319 1.00 3.28 N ATOM 1151 CZ ARG A 90 -10.570 5.901 5.093 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -10.546 5.100 4.034 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -10.491 7.214 4.923 1.00 5.12 N ATOM 0 H ARG A 90 -9.001 -0.675 7.001 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.605 1.755 7.755 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.345 1.299 5.807 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -10.540 1.538 7.065 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -8.786 3.701 7.390 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -8.897 3.508 5.652 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.412 3.490 5.866 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.234 3.819 7.578 1.00 2.56 H new ATOM 0 HE ARG A 90 -10.680 6.042 7.107 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -10.604 4.089 4.158 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -10.469 5.496 3.097 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -10.507 7.835 5.732 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -10.414 7.603 3.983 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.351 0.292 9.914 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.909 0.369 11.259 1.00 0.63 C ATOM 1169 C GLN A 91 -8.812 0.543 12.311 1.00 0.58 C ATOM 1170 O GLN A 91 -8.944 1.358 13.225 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.745 -0.880 11.564 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.240 -0.611 11.607 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.054 -1.756 11.036 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -12.869 -2.913 11.411 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -13.962 -1.437 10.121 1.00 1.12 N ATOM 0 H GLN A 91 -9.159 -0.654 9.585 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.555 1.246 11.301 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.542 -1.638 10.807 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.430 -1.294 12.522 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.544 -0.433 12.638 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.458 0.299 11.048 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.082 -0.464 9.839 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.539 -2.165 9.700 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.734 -0.224 12.182 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.630 -0.151 13.133 1.00 0.60 C ATOM 1184 C VAL A 92 -5.652 0.967 12.783 1.00 0.55 C ATOM 1185 O VAL A 92 -5.207 1.714 13.659 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.862 -1.489 13.200 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.214 -1.807 11.860 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -4.821 -1.458 14.309 1.00 1.68 C ATOM 0 H VAL A 92 -7.601 -0.901 11.431 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.073 0.063 14.106 1.00 0.60 H new ATOM 0 HB VAL A 92 -6.577 -2.280 13.427 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.678 -2.754 11.930 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -5.984 -1.882 11.092 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.515 -1.013 11.596 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -4.292 -2.411 14.338 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -4.110 -0.654 14.118 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -5.314 -1.287 15.266 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.310 1.074 11.505 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.373 2.095 11.053 1.00 0.49 C ATOM 1194 C VAL A 93 -4.975 3.491 11.180 1.00 0.54 C ATOM 1195 O VAL A 93 -4.322 4.414 11.668 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.904 1.844 9.599 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.592 0.370 9.388 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.934 2.321 8.585 1.00 0.69 C ATOM 0 H VAL A 93 -5.666 0.469 10.765 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.500 2.033 11.702 1.00 0.49 H new ATOM 0 HB VAL A 93 -2.994 2.423 9.441 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.264 0.211 8.361 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.801 0.064 10.073 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.487 -0.222 9.579 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.568 2.128 7.577 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.871 1.787 8.740 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.101 3.391 8.711 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.226 3.641 10.756 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.900 4.928 10.850 1.00 0.69 C ATOM 1204 C GLU A 94 -7.076 5.316 12.310 1.00 0.67 C ATOM 1205 O GLU A 94 -6.965 6.488 12.670 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.260 4.882 10.151 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.826 6.257 9.835 1.00 1.31 C ATOM 1208 CD GLU A 94 -10.110 6.548 10.586 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.968 5.643 10.669 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -10.258 7.679 11.094 1.00 1.98 O ATOM 0 H GLU A 94 -6.788 2.894 10.348 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.284 5.677 10.352 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.165 4.315 9.225 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.966 4.343 10.783 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.085 7.016 10.083 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.012 6.331 8.764 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.334 4.319 13.153 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.503 4.561 14.579 1.00 0.61 C ATOM 1219 C ARG A 95 -6.172 4.970 15.198 1.00 0.70 C ATOM 1220 O ARG A 95 -6.084 5.981 15.899 1.00 0.77 O ATOM 1221 CB ARG A 95 -8.047 3.314 15.277 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.431 3.550 16.728 1.00 0.87 C ATOM 1223 CD ARG A 95 -8.241 2.297 17.567 1.00 1.58 C ATOM 1224 NE ARG A 95 -7.949 2.613 18.963 1.00 2.18 N ATOM 1225 CZ ARG A 95 -7.965 1.714 19.945 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -8.256 0.445 19.689 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -7.689 2.087 21.188 1.00 3.75 N ATOM 0 H ARG A 95 -7.430 3.343 12.874 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.222 5.370 14.711 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.920 2.954 14.732 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.296 2.525 15.232 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -7.826 4.359 17.138 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -9.471 3.871 16.782 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.142 1.685 17.514 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -7.427 1.702 17.152 1.00 1.58 H new ATOM 0 HE ARG A 95 -7.720 3.578 19.199 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -8.469 0.153 18.735 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -8.266 -0.239 20.446 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -7.465 3.061 21.390 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -7.701 1.399 21.941 1.00 3.75 H new ATOM 1241 N GLU A 96 -5.134 4.187 14.918 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.801 4.475 15.432 1.00 0.86 C ATOM 1243 C GLU A 96 -3.327 5.832 14.926 1.00 0.90 C ATOM 1244 O GLU A 96 -2.688 6.592 15.654 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.817 3.384 15.006 1.00 0.93 C ATOM 1246 CG GLU A 96 -2.645 2.281 16.038 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.400 1.450 15.801 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -0.292 1.937 16.113 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -1.531 0.313 15.302 1.00 2.50 O ATOM 0 H GLU A 96 -5.191 3.349 14.339 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.846 4.498 16.521 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.159 2.943 14.070 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.847 3.839 14.808 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -2.598 2.724 17.033 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -3.520 1.631 16.019 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.655 6.131 13.673 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.277 7.399 13.064 1.00 0.92 C ATOM 1258 C ALA A 97 -4.093 8.541 13.657 1.00 1.00 C ATOM 1259 O ALA A 97 -3.564 9.617 13.938 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.464 7.339 11.555 1.00 0.87 C ATOM 0 H ALA A 97 -4.183 5.510 13.059 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.224 7.583 13.276 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.177 8.294 11.115 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.839 6.547 11.142 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.510 7.133 11.326 1.00 0.87 H new ATOM 1266 N SER A 98 -5.384 8.293 13.852 1.00 0.92 N ATOM 1267 CA SER A 98 -6.276 9.295 14.421 1.00 1.01 C ATOM 1268 C SER A 98 -5.861 9.626 15.848 1.00 1.07 C ATOM 1269 O SER A 98 -5.823 10.793 16.241 1.00 1.18 O ATOM 1270 CB SER A 98 -7.722 8.796 14.398 1.00 0.99 C ATOM 1271 OG SER A 98 -8.333 9.057 13.146 1.00 1.50 O ATOM 0 H SER A 98 -5.835 7.407 13.624 1.00 0.92 H new ATOM 0 HA SER A 98 -6.207 10.200 13.817 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.743 7.725 14.600 1.00 0.99 H new ATOM 0 HB3 SER A 98 -8.290 9.282 15.191 1.00 0.99 H new ATOM 0 HG SER A 98 -8.122 8.332 12.522 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.541 8.592 16.619 1.00 1.04 N ATOM 1278 CA GLU A 99 -5.119 8.773 18.003 1.00 1.13 C ATOM 1279 C GLU A 99 -3.674 9.262 18.067 1.00 1.27 C ATOM 1280 O GLU A 99 -3.276 9.928 19.023 1.00 1.45 O ATOM 1281 CB GLU A 99 -5.265 7.466 18.785 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.448 6.319 18.215 1.00 1.76 C ATOM 1283 CD GLU A 99 -3.094 6.181 18.881 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -3.017 6.365 20.114 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -2.109 5.890 18.171 1.00 2.68 O ATOM 0 H GLU A 99 -5.566 7.621 16.309 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.762 9.527 18.457 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.964 7.636 19.819 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -6.316 7.178 18.802 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -5.003 5.388 18.333 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -4.309 6.474 17.145 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.894 8.930 17.041 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.494 9.340 16.980 1.00 1.37 C ATOM 1294 C GLN A 100 -1.372 10.848 16.775 1.00 1.48 C ATOM 1295 O GLN A 100 -0.330 11.439 17.059 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.773 8.603 15.849 1.00 1.33 C ATOM 1297 CG GLN A 100 -0.114 7.305 16.290 1.00 1.96 C ATOM 1298 CD GLN A 100 1.400 7.368 16.225 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.053 7.854 17.149 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.967 6.877 15.130 1.00 2.35 N ATOM 0 H GLN A 100 -3.207 8.379 16.242 1.00 1.22 H new ATOM 0 HA GLN A 100 -1.028 9.082 17.931 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -1.487 8.386 15.055 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.014 9.260 15.425 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -0.421 7.074 17.310 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.467 6.490 15.659 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.388 6.483 14.388 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.982 6.893 15.030 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.440 11.467 16.276 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.448 12.905 16.030 1.00 1.59 C ATOM 1309 C GLU A 101 -1.399 13.283 14.990 1.00 1.58 C ATOM 1310 O GLU A 101 -0.724 14.305 15.117 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.197 13.670 17.332 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.433 13.807 18.206 1.00 2.02 C ATOM 1313 CD GLU A 101 -4.354 14.919 17.743 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -4.542 15.063 16.517 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -4.887 15.646 18.608 1.00 2.68 O ATOM 0 H GLU A 101 -3.311 10.994 16.034 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.430 13.178 15.644 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.417 13.161 17.898 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -1.820 14.664 17.092 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -3.980 12.864 18.206 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -3.127 13.998 19.234 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.271 12.453 13.960 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.305 12.699 12.894 1.00 1.36 C ATOM 1324 C LYS A 102 -0.997 12.728 11.532 1.00 1.24 C ATOM 1325 O LYS A 102 -2.083 12.174 11.367 1.00 1.16 O ATOM 1326 CB LYS A 102 0.784 11.623 12.908 1.00 1.37 C ATOM 1327 CG LYS A 102 2.183 12.180 13.126 1.00 1.77 C ATOM 1328 CD LYS A 102 2.884 11.494 14.289 1.00 2.28 C ATOM 1329 CE LYS A 102 2.560 12.170 15.612 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.772 12.339 16.461 1.00 2.36 N ATOM 0 H LYS A 102 -1.824 11.604 13.840 1.00 1.36 H new ATOM 0 HA LYS A 102 0.155 13.672 13.067 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.562 10.902 13.695 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.760 11.081 11.963 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.772 12.051 12.218 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.123 13.251 13.317 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.583 10.447 14.331 1.00 2.28 H new ATOM 0 HD3 LYS A 102 3.962 11.509 14.126 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.112 13.145 15.421 1.00 2.19 H new ATOM 0 HE3 LYS A 102 1.819 11.578 16.150 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 3.509 12.803 17.354 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.186 11.407 16.665 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 4.469 12.925 15.958 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.371 13.378 10.536 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.931 13.476 9.184 1.00 1.21 C ATOM 1346 C PRO A 103 -1.293 12.112 8.606 1.00 1.01 C ATOM 1347 O PRO A 103 -0.423 11.269 8.386 1.00 0.97 O ATOM 1348 CB PRO A 103 0.199 14.115 8.373 1.00 1.28 C ATOM 1349 CG PRO A 103 1.010 14.862 9.375 1.00 1.36 C ATOM 1350 CD PRO A 103 0.928 14.067 10.648 1.00 1.42 C ATOM 0 HA PRO A 103 -1.859 14.048 9.170 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.797 13.359 7.864 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.193 14.782 7.605 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.044 14.963 9.044 1.00 1.36 H new ATOM 0 HG3 PRO A 103 0.621 15.870 9.519 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.752 13.359 10.734 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.967 14.710 11.527 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.583 11.901 8.364 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.060 10.639 7.812 1.00 0.93 C ATOM 1360 C LEU A 104 -2.414 10.355 6.457 1.00 0.85 C ATOM 1361 O LEU A 104 -2.303 9.202 6.040 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.585 10.663 7.672 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.323 9.568 8.445 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.823 9.675 8.221 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.817 8.192 8.037 1.00 1.51 C ATOM 0 H LEU A 104 -3.316 12.588 8.542 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.778 9.841 8.500 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.950 11.633 8.008 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.839 10.575 6.616 1.00 1.11 H new ATOM 0 HG LEU A 104 -5.125 9.704 9.508 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -7.331 8.888 8.778 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -7.174 10.648 8.565 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -7.041 9.566 7.159 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.353 7.426 8.597 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.984 8.045 6.970 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.751 8.118 8.251 1.00 1.51 H new ATOM 1371 N MET A 105 -1.989 11.415 5.774 1.00 0.98 N ATOM 1372 CA MET A 105 -1.354 11.279 4.467 1.00 0.99 C ATOM 1373 C MET A 105 -0.137 10.363 4.545 1.00 0.76 C ATOM 1374 O MET A 105 0.046 9.483 3.703 1.00 0.81 O ATOM 1375 CB MET A 105 -0.938 12.653 3.934 1.00 1.22 C ATOM 1376 CG MET A 105 -1.418 12.926 2.517 1.00 1.08 C ATOM 1377 SD MET A 105 -3.213 12.853 2.362 1.00 1.56 S ATOM 1378 CE MET A 105 -3.718 13.601 3.908 1.00 1.27 C ATOM 0 H MET A 105 -2.073 12.376 6.104 1.00 0.98 H new ATOM 0 HA MET A 105 -2.078 10.834 3.784 1.00 0.99 H new ATOM 0 HB2 MET A 105 -1.330 13.425 4.597 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.149 12.731 3.962 1.00 1.22 H new ATOM 0 HG2 MET A 105 -1.070 13.910 2.204 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.969 12.199 1.840 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.721 14.015 3.802 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.719 12.846 4.694 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.023 14.398 4.171 1.00 1.27 H new ATOM 1388 N ALA A 106 0.690 10.578 5.561 1.00 0.70 N ATOM 1389 CA ALA A 106 1.889 9.774 5.751 1.00 0.63 C ATOM 1390 C ALA A 106 1.536 8.346 6.151 1.00 0.54 C ATOM 1391 O ALA A 106 2.170 7.388 5.706 1.00 0.61 O ATOM 1392 CB ALA A 106 2.788 10.415 6.800 1.00 0.84 C ATOM 0 H ALA A 106 0.552 11.303 6.265 1.00 0.70 H new ATOM 0 HA ALA A 106 2.426 9.732 4.803 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.682 9.806 6.934 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.076 11.414 6.471 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.251 10.485 7.746 1.00 0.84 H new ATOM 1398 N HIS A 107 0.519 8.208 6.998 1.00 0.53 N ATOM 1399 CA HIS A 107 0.081 6.895 7.461 1.00 0.60 C ATOM 1400 C HIS A 107 -0.076 5.923 6.296 1.00 0.55 C ATOM 1401 O HIS A 107 0.451 4.814 6.332 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.235 7.011 8.229 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.284 6.151 9.453 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.785 6.351 10.696 1.00 1.79 N flip ATOM 1405 CD2 HIS A 107 -1.896 4.916 9.482 1.00 1.93 C flip ATOM 1406 CE1 HIS A 107 -1.101 5.243 11.444 1.00 2.26 C flip ATOM 1407 NE2 HIS A 107 -1.772 4.393 10.689 1.00 2.34 N flip ATOM 0 H HIS A 107 -0.017 8.989 7.377 1.00 0.53 H new ATOM 0 HA HIS A 107 0.848 6.504 8.129 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.389 8.051 8.518 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -2.058 6.738 7.569 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -0.271 7.171 11.017 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.399 4.449 8.648 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.842 5.092 12.482 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.800 6.347 5.264 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.014 5.504 4.094 1.00 0.46 C ATOM 1418 C TRP A 108 0.307 5.216 3.390 1.00 0.43 C ATOM 1419 O TRP A 108 0.575 4.081 2.998 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.993 6.167 3.124 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.426 5.838 3.414 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.033 4.623 3.272 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.432 6.735 3.899 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.355 4.710 3.638 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.623 5.996 4.027 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.441 8.091 4.238 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.810 6.568 4.479 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.620 8.657 4.687 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.789 7.896 4.804 1.00 2.00 C ATOM 0 H TRP A 108 -1.245 7.263 5.215 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.442 4.560 4.431 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.860 7.248 3.166 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.754 5.855 2.107 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.545 3.725 2.923 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.027 3.943 3.623 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.544 8.686 4.151 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.714 5.984 4.569 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.639 9.704 4.952 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.694 8.368 5.158 1.00 2.00 H new ATOM 1440 N ALA A 109 1.136 6.247 3.243 1.00 0.47 N ATOM 1441 CA ALA A 109 2.435 6.093 2.597 1.00 0.51 C ATOM 1442 C ALA A 109 3.258 5.024 3.306 1.00 0.49 C ATOM 1443 O ALA A 109 3.783 4.107 2.676 1.00 0.64 O ATOM 1444 CB ALA A 109 3.183 7.419 2.579 1.00 0.62 C ATOM 0 H ALA A 109 0.932 7.194 3.561 1.00 0.47 H new ATOM 0 HA ALA A 109 2.273 5.777 1.567 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.150 7.285 2.093 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.600 8.158 2.029 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.335 7.765 3.601 1.00 0.62 H new ATOM 1450 N HIS A 110 3.352 5.144 4.625 1.00 0.44 N ATOM 1451 CA HIS A 110 4.094 4.185 5.428 1.00 0.53 C ATOM 1452 C HIS A 110 3.369 2.845 5.470 1.00 0.60 C ATOM 1453 O HIS A 110 3.980 1.791 5.295 1.00 0.86 O ATOM 1454 CB HIS A 110 4.285 4.717 6.850 1.00 0.57 C ATOM 1455 CG HIS A 110 5.129 3.831 7.712 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.353 3.334 7.312 1.00 1.58 N ATOM 1457 CD2 HIS A 110 4.920 3.350 8.961 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.858 2.586 8.277 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.010 2.580 9.287 1.00 2.16 N ATOM 0 H HIS A 110 2.922 5.898 5.160 1.00 0.44 H new ATOM 0 HA HIS A 110 5.072 4.040 4.969 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.742 5.705 6.801 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.308 4.841 7.317 1.00 0.57 H new ATOM 0 HD2 HIS A 110 4.058 3.537 9.584 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.805 2.067 8.244 1.00 1.93 H new ATOM 0 HE2 HIS A 110 6.142 2.084 10.168 1.00 2.16 H new ATOM 1468 N MET A 111 2.061 2.897 5.706 1.00 0.50 N ATOM 1469 CA MET A 111 1.240 1.693 5.779 1.00 0.59 C ATOM 1470 C MET A 111 1.339 0.862 4.502 1.00 0.59 C ATOM 1471 O MET A 111 1.762 -0.292 4.537 1.00 0.78 O ATOM 1472 CB MET A 111 -0.220 2.070 6.040 1.00 0.63 C ATOM 1473 CG MET A 111 -0.540 2.269 7.512 1.00 1.24 C ATOM 1474 SD MET A 111 -0.411 0.741 8.457 1.00 2.04 S ATOM 1475 CE MET A 111 -1.353 -0.373 7.419 1.00 1.59 C ATOM 0 H MET A 111 1.545 3.765 5.851 1.00 0.50 H new ATOM 0 HA MET A 111 1.616 1.086 6.603 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.453 2.987 5.498 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.866 1.290 5.638 1.00 0.63 H new ATOM 0 HG2 MET A 111 0.140 3.011 7.931 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.549 2.670 7.611 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.640 -1.252 7.996 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.249 0.134 7.060 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.744 -0.680 6.569 1.00 1.59 H new ATOM 1485 N VAL A 112 0.934 1.452 3.379 1.00 0.51 N ATOM 1486 CA VAL A 112 0.968 0.756 2.094 1.00 0.58 C ATOM 1487 C VAL A 112 2.302 0.041 1.879 1.00 0.64 C ATOM 1488 O VAL A 112 2.336 -1.132 1.502 1.00 0.78 O ATOM 1489 CB VAL A 112 0.702 1.728 0.923 1.00 0.59 C ATOM 1490 CG1 VAL A 112 1.865 2.692 0.734 1.00 1.46 C ATOM 1491 CG2 VAL A 112 0.426 0.959 -0.359 1.00 1.42 C ATOM 0 H VAL A 112 0.580 2.407 3.332 1.00 0.51 H new ATOM 0 HA VAL A 112 0.175 0.009 2.117 1.00 0.58 H new ATOM 0 HB VAL A 112 -0.182 2.316 1.169 1.00 0.59 H new ATOM 0 HG11 VAL A 112 1.649 3.364 -0.097 1.00 1.46 H new ATOM 0 HG12 VAL A 112 2.006 3.275 1.644 1.00 1.46 H new ATOM 0 HG13 VAL A 112 2.773 2.129 0.519 1.00 1.46 H new ATOM 0 HG21 VAL A 112 0.241 1.661 -1.172 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.288 0.339 -0.604 1.00 1.42 H new ATOM 0 HG23 VAL A 112 -0.450 0.325 -0.221 1.00 1.42 H new ATOM 1495 N VAL A 113 3.396 0.752 2.133 1.00 0.61 N ATOM 1496 CA VAL A 113 4.728 0.183 1.978 1.00 0.72 C ATOM 1497 C VAL A 113 5.011 -0.841 3.075 1.00 0.82 C ATOM 1498 O VAL A 113 5.800 -1.767 2.883 1.00 1.03 O ATOM 1499 CB VAL A 113 5.813 1.278 2.006 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.192 0.675 1.783 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.516 2.343 0.961 1.00 0.63 C ATOM 0 H VAL A 113 3.385 1.722 2.447 1.00 0.61 H new ATOM 0 HA VAL A 113 4.757 -0.312 1.008 1.00 0.72 H new ATOM 0 HB VAL A 113 5.804 1.748 2.990 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.943 1.465 1.807 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.403 -0.050 2.569 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.219 0.178 0.814 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.290 3.109 0.992 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.497 1.886 -0.029 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.547 2.797 1.169 1.00 0.63 H new ATOM 1505 N HIS A 114 4.358 -0.670 4.222 1.00 0.75 N ATOM 1506 CA HIS A 114 4.537 -1.583 5.346 1.00 0.85 C ATOM 1507 C HIS A 114 3.892 -2.934 5.044 1.00 0.96 C ATOM 1508 O HIS A 114 4.513 -3.984 5.211 1.00 1.08 O ATOM 1509 CB HIS A 114 3.950 -0.969 6.630 1.00 0.89 C ATOM 1510 CG HIS A 114 2.839 -1.764 7.254 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.520 -1.647 6.870 1.00 1.39 N ATOM 1512 CD2 HIS A 114 2.862 -2.696 8.236 1.00 1.57 C ATOM 1513 CE1 HIS A 114 0.779 -2.473 7.589 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.570 -3.120 8.426 1.00 1.36 N ATOM 0 H HIS A 114 3.702 0.091 4.397 1.00 0.75 H new ATOM 0 HA HIS A 114 5.604 -1.744 5.500 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.751 -0.854 7.360 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.580 0.031 6.402 1.00 0.89 H new ATOM 0 HD1 HIS A 114 1.170 -1.021 6.145 1.00 1.39 H new ATOM 0 HD2 HIS A 114 3.735 -3.042 8.770 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.291 -2.597 7.506 1.00 1.30 H new ATOM 1523 N GLY A 115 2.642 -2.894 4.600 1.00 1.03 N ATOM 1524 CA GLY A 115 1.926 -4.114 4.282 1.00 1.18 C ATOM 1525 C GLY A 115 2.335 -4.694 2.942 1.00 1.20 C ATOM 1526 O GLY A 115 2.265 -5.905 2.737 1.00 1.36 O ATOM 0 H GLY A 115 2.110 -2.036 4.454 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.106 -4.852 5.064 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.855 -3.912 4.275 1.00 1.18 H new ATOM 1530 N SER A 116 2.764 -3.829 2.029 1.00 1.17 N ATOM 1531 CA SER A 116 3.185 -4.270 0.704 1.00 1.26 C ATOM 1532 C SER A 116 4.513 -5.018 0.774 1.00 1.36 C ATOM 1533 O SER A 116 4.628 -6.147 0.295 1.00 1.63 O ATOM 1534 CB SER A 116 3.315 -3.070 -0.239 1.00 1.31 C ATOM 1535 OG SER A 116 4.062 -3.409 -1.395 1.00 1.72 O ATOM 0 H SER A 116 2.829 -2.823 2.181 1.00 1.17 H new ATOM 0 HA SER A 116 2.425 -4.949 0.318 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.324 -2.724 -0.531 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.800 -2.245 0.282 1.00 1.31 H new ATOM 0 HG SER A 116 3.838 -4.321 -1.674 1.00 1.72 H new ATOM 1541 N LEU A 117 5.511 -4.377 1.369 1.00 1.28 N ATOM 1542 CA LEU A 117 6.839 -4.968 1.501 1.00 1.49 C ATOM 1543 C LEU A 117 6.789 -6.304 2.239 1.00 1.69 C ATOM 1544 O LEU A 117 7.203 -7.334 1.708 1.00 1.94 O ATOM 1545 CB LEU A 117 7.772 -3.999 2.237 1.00 1.49 C ATOM 1546 CG LEU A 117 9.151 -4.555 2.622 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.626 -5.592 1.615 1.00 2.07 C ATOM 1548 CD2 LEU A 117 10.160 -3.423 2.733 1.00 2.38 C ATOM 0 H LEU A 117 5.426 -3.443 1.770 1.00 1.28 H new ATOM 0 HA LEU A 117 7.223 -5.154 0.498 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.919 -3.120 1.610 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.271 -3.663 3.145 1.00 1.49 H new ATOM 0 HG LEU A 117 9.061 -5.046 3.591 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.605 -5.968 1.914 1.00 2.07 H new ATOM 0 HD12 LEU A 117 8.915 -6.418 1.580 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.699 -5.134 0.628 1.00 2.07 H new ATOM 0 HD21 LEU A 117 11.134 -3.829 3.006 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.237 -2.909 1.775 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.833 -2.718 3.497 1.00 2.38 H new ATOM 1554 N HIS A 118 6.296 -6.275 3.471 1.00 1.70 N ATOM 1555 CA HIS A 118 6.207 -7.476 4.296 1.00 2.04 C ATOM 1556 C HIS A 118 5.495 -8.618 3.572 1.00 2.25 C ATOM 1557 O HIS A 118 5.737 -9.790 3.863 1.00 2.60 O ATOM 1558 CB HIS A 118 5.478 -7.162 5.604 1.00 2.10 C ATOM 1559 CG HIS A 118 6.308 -6.388 6.581 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.741 -5.099 6.347 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.783 -6.724 7.805 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.446 -4.679 7.383 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.486 -5.646 8.280 1.00 3.28 N ATOM 0 H HIS A 118 5.950 -5.429 3.924 1.00 1.70 H new ATOM 0 HA HIS A 118 7.226 -7.800 4.509 1.00 2.04 H new ATOM 0 HB2 HIS A 118 4.574 -6.596 5.380 1.00 2.10 H new ATOM 0 HB3 HIS A 118 5.162 -8.096 6.068 1.00 2.10 H new ATOM 0 HD1 HIS A 118 6.547 -4.555 5.506 1.00 2.63 H new ATOM 0 HD2 HIS A 118 6.635 -7.666 8.312 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.911 -3.709 7.479 1.00 3.13 H new ATOM 1572 N LEU A 119 4.609 -8.279 2.641 1.00 2.15 N ATOM 1573 CA LEU A 119 3.862 -9.293 1.902 1.00 2.45 C ATOM 1574 C LEU A 119 4.467 -9.573 0.528 1.00 2.53 C ATOM 1575 O LEU A 119 4.189 -10.610 -0.075 1.00 2.98 O ATOM 1576 CB LEU A 119 2.401 -8.869 1.750 1.00 2.52 C ATOM 1577 CG LEU A 119 1.381 -10.001 1.905 1.00 2.47 C ATOM 1578 CD1 LEU A 119 0.343 -9.649 2.960 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.708 -10.303 0.573 1.00 2.27 C ATOM 0 H LEU A 119 4.391 -7.317 2.381 1.00 2.15 H new ATOM 0 HA LEU A 119 3.918 -10.216 2.479 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.183 -8.099 2.490 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.270 -8.414 0.768 1.00 2.52 H new ATOM 0 HG LEU A 119 1.912 -10.895 2.232 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.372 -10.466 3.054 1.00 3.30 H new ATOM 0 HD12 LEU A 119 0.838 -9.488 3.918 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.182 -8.740 2.665 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.013 -11.110 0.704 1.00 2.27 H new ATOM 0 HD22 LEU A 119 0.193 -9.411 0.215 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.461 -10.604 -0.155 1.00 2.27 H new ATOM 1585 N LEU A 120 5.286 -8.653 0.025 1.00 2.25 N ATOM 1586 CA LEU A 120 5.903 -8.831 -1.286 1.00 2.47 C ATOM 1587 C LEU A 120 7.406 -9.057 -1.166 1.00 2.57 C ATOM 1588 O LEU A 120 7.903 -10.150 -1.441 1.00 3.07 O ATOM 1589 CB LEU A 120 5.622 -7.612 -2.174 1.00 2.62 C ATOM 1590 CG LEU A 120 6.592 -7.411 -3.345 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.754 -8.700 -4.137 1.00 3.20 C ATOM 1592 CD2 LEU A 120 6.112 -6.281 -4.247 1.00 2.88 C ATOM 0 H LEU A 120 5.536 -7.785 0.500 1.00 2.25 H new ATOM 0 HA LEU A 120 5.465 -9.717 -1.745 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.611 -7.700 -2.573 1.00 2.62 H new ATOM 0 HB3 LEU A 120 5.642 -6.718 -1.551 1.00 2.62 H new ATOM 0 HG LEU A 120 7.566 -7.137 -2.940 1.00 2.70 H new ATOM 0 HD11 LEU A 120 7.446 -8.535 -4.963 1.00 3.20 H new ATOM 0 HD12 LEU A 120 7.146 -9.481 -3.485 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.786 -9.009 -4.531 1.00 3.20 H new ATOM 0 HD21 LEU A 120 6.812 -6.152 -5.073 1.00 2.88 H new ATOM 0 HD22 LEU A 120 5.126 -6.525 -4.642 1.00 2.88 H new ATOM 0 HD23 LEU A 120 6.054 -5.356 -3.673 1.00 2.88 H new ATOM 1598 N GLY A 121 8.126 -8.017 -0.767 1.00 2.56 N ATOM 1599 CA GLY A 121 9.566 -8.124 -0.636 1.00 3.27 C ATOM 1600 C GLY A 121 10.292 -7.458 -1.787 1.00 3.49 C ATOM 1601 O GLY A 121 10.904 -8.131 -2.615 1.00 4.12 O ATOM 0 H GLY A 121 7.740 -7.103 -0.532 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.879 -7.668 0.303 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.849 -9.176 -0.589 1.00 3.27 H new ATOM 1605 N TYR A 122 10.217 -6.130 -1.838 1.00 3.41 N ATOM 1606 CA TYR A 122 10.867 -5.353 -2.898 1.00 4.05 C ATOM 1607 C TYR A 122 12.279 -5.869 -3.184 1.00 4.04 C ATOM 1608 O TYR A 122 12.792 -5.724 -4.293 1.00 4.29 O ATOM 1609 CB TYR A 122 10.936 -3.867 -2.522 1.00 4.92 C ATOM 1610 CG TYR A 122 9.688 -3.321 -1.852 1.00 4.99 C ATOM 1611 CD1 TYR A 122 8.429 -3.846 -2.126 1.00 5.29 C ATOM 1612 CD2 TYR A 122 9.775 -2.275 -0.943 1.00 5.07 C ATOM 1613 CE1 TYR A 122 7.297 -3.342 -1.511 1.00 5.72 C ATOM 1614 CE2 TYR A 122 8.648 -1.767 -0.326 1.00 5.49 C ATOM 1615 CZ TYR A 122 7.412 -2.303 -0.613 1.00 5.83 C ATOM 1616 OH TYR A 122 6.289 -1.802 0.001 1.00 6.50 O ATOM 0 H TYR A 122 9.711 -5.565 -1.156 1.00 3.41 H new ATOM 0 HA TYR A 122 10.263 -5.470 -3.798 1.00 4.05 H new ATOM 0 HB2 TYR A 122 11.785 -3.714 -1.856 1.00 4.92 H new ATOM 0 HB3 TYR A 122 11.130 -3.287 -3.424 1.00 4.92 H new ATOM 0 HD1 TYR A 122 8.334 -4.660 -2.830 1.00 5.29 H new ATOM 0 HD2 TYR A 122 10.741 -1.851 -0.714 1.00 5.07 H new ATOM 0 HE1 TYR A 122 6.327 -3.761 -1.734 1.00 5.72 H new ATOM 0 HE2 TYR A 122 8.736 -0.953 0.378 1.00 5.49 H new ATOM 0 HH TYR A 122 6.411 -1.823 0.973 1.00 6.50 H new ATOM 1626 N ASP A 123 12.902 -6.465 -2.171 1.00 4.20 N ATOM 1627 CA ASP A 123 14.256 -6.998 -2.297 1.00 4.65 C ATOM 1628 C ASP A 123 14.412 -7.900 -3.522 1.00 4.02 C ATOM 1629 O ASP A 123 15.523 -8.085 -4.019 1.00 4.67 O ATOM 1630 CB ASP A 123 14.628 -7.778 -1.034 1.00 5.43 C ATOM 1631 CG ASP A 123 15.273 -6.899 0.019 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.861 -5.728 0.148 1.00 6.57 O ATOM 1633 OD2 ASP A 123 16.191 -7.382 0.714 1.00 6.82 O ATOM 0 H ASP A 123 12.488 -6.592 -1.248 1.00 4.20 H new ATOM 0 HA ASP A 123 14.928 -6.149 -2.425 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.732 -8.240 -0.619 1.00 5.43 H new ATOM 0 HB3 ASP A 123 15.311 -8.586 -1.297 1.00 5.43 H new ATOM 1638 N HIS A 124 13.307 -8.471 -4.005 1.00 2.97 N ATOM 1639 CA HIS A 124 13.357 -9.359 -5.168 1.00 2.45 C ATOM 1640 C HIS A 124 14.180 -8.743 -6.297 1.00 2.10 C ATOM 1641 O HIS A 124 14.311 -7.522 -6.378 1.00 2.45 O ATOM 1642 CB HIS A 124 11.946 -9.695 -5.661 1.00 2.23 C ATOM 1643 CG HIS A 124 11.206 -8.535 -6.250 1.00 2.36 C ATOM 1644 ND1 HIS A 124 10.885 -8.447 -7.589 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.709 -7.416 -5.674 1.00 2.98 C ATOM 1646 CE1 HIS A 124 10.224 -7.324 -7.810 1.00 2.83 C ATOM 1647 NE2 HIS A 124 10.104 -6.682 -6.663 1.00 3.06 N ATOM 0 H HIS A 124 12.375 -8.336 -3.613 1.00 2.97 H new ATOM 0 HA HIS A 124 13.844 -10.283 -4.856 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.014 -10.485 -6.409 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.368 -10.094 -4.827 1.00 2.23 H new ATOM 0 HD2 HIS A 124 10.776 -7.150 -4.629 1.00 2.98 H new ATOM 0 HE1 HIS A 124 9.847 -6.989 -8.765 1.00 2.83 H new ATOM 0 HE2 HIS A 124 9.637 -5.785 -6.533 1.00 3.06 H new ATOM 1656 N ILE A 125 14.748 -9.605 -7.148 1.00 1.91 N ATOM 1657 CA ILE A 125 15.587 -9.174 -8.273 1.00 2.11 C ATOM 1658 C ILE A 125 16.412 -7.937 -7.922 1.00 2.10 C ATOM 1659 O ILE A 125 15.933 -6.806 -8.005 1.00 1.90 O ATOM 1660 CB ILE A 125 14.760 -8.906 -9.549 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.646 -7.893 -9.285 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.178 -10.207 -10.082 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.440 -6.925 -10.427 1.00 3.27 C ATOM 0 H ILE A 125 14.640 -10.617 -7.077 1.00 1.91 H new ATOM 0 HA ILE A 125 16.267 -10.001 -8.476 1.00 2.11 H new ATOM 0 HB ILE A 125 15.426 -8.482 -10.300 1.00 2.32 H new ATOM 0 HG12 ILE A 125 12.715 -8.427 -9.097 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.880 -7.333 -8.380 1.00 2.52 H new ATOM 0 HG21 ILE A 125 13.597 -10.004 -10.982 1.00 2.86 H new ATOM 0 HG22 ILE A 125 14.987 -10.897 -10.321 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.532 -10.653 -9.326 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.636 -6.233 -10.177 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.359 -6.366 -10.600 1.00 3.27 H new ATOM 0 HD13 ILE A 125 13.176 -7.477 -11.329 1.00 3.27 H new ATOM 1667 N GLU A 126 17.654 -8.169 -7.513 1.00 2.54 N ATOM 1668 CA GLU A 126 18.553 -7.088 -7.122 1.00 2.75 C ATOM 1669 C GLU A 126 19.166 -6.373 -8.328 1.00 2.70 C ATOM 1670 O GLU A 126 20.113 -5.601 -8.175 1.00 2.83 O ATOM 1671 CB GLU A 126 19.668 -7.633 -6.228 1.00 3.67 C ATOM 1672 CG GLU A 126 20.553 -8.659 -6.918 1.00 4.39 C ATOM 1673 CD GLU A 126 21.160 -9.651 -5.946 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.163 -9.301 -5.289 1.00 5.87 O ATOM 1675 OE2 GLU A 126 20.634 -10.780 -5.842 1.00 6.01 O ATOM 0 H GLU A 126 18.063 -9.101 -7.443 1.00 2.54 H new ATOM 0 HA GLU A 126 17.957 -6.357 -6.575 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.286 -6.803 -5.886 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.223 -8.086 -5.342 1.00 3.67 H new ATOM 0 HG2 GLU A 126 19.967 -9.197 -7.663 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.351 -8.144 -7.452 1.00 4.39 H new ATOM 1682 N ASP A 127 18.646 -6.633 -9.526 1.00 2.79 N ATOM 1683 CA ASP A 127 19.181 -6.005 -10.728 1.00 3.14 C ATOM 1684 C ASP A 127 18.501 -4.670 -11.037 1.00 2.88 C ATOM 1685 O ASP A 127 19.118 -3.610 -10.926 1.00 3.08 O ATOM 1686 CB ASP A 127 19.034 -6.949 -11.924 1.00 3.66 C ATOM 1687 CG ASP A 127 20.303 -7.730 -12.203 1.00 4.67 C ATOM 1688 OD1 ASP A 127 20.683 -8.567 -11.359 1.00 5.29 O ATOM 1689 OD2 ASP A 127 20.918 -7.504 -13.267 1.00 5.15 O ATOM 0 H ASP A 127 17.864 -7.267 -9.688 1.00 2.79 H new ATOM 0 HA ASP A 127 20.236 -5.802 -10.543 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.216 -7.645 -11.736 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.764 -6.372 -12.808 1.00 3.66 H new ATOM 1694 N ASP A 128 17.236 -4.726 -11.451 1.00 2.70 N ATOM 1695 CA ASP A 128 16.492 -3.517 -11.804 1.00 2.87 C ATOM 1696 C ASP A 128 15.603 -3.011 -10.665 1.00 2.37 C ATOM 1697 O ASP A 128 15.973 -2.090 -9.938 1.00 2.51 O ATOM 1698 CB ASP A 128 15.646 -3.770 -13.054 1.00 3.34 C ATOM 1699 CG ASP A 128 16.491 -3.923 -14.303 1.00 3.82 C ATOM 1700 OD1 ASP A 128 17.099 -5.000 -14.481 1.00 4.15 O ATOM 1701 OD2 ASP A 128 16.546 -2.966 -15.105 1.00 4.30 O ATOM 0 H ASP A 128 16.706 -5.592 -11.550 1.00 2.70 H new ATOM 0 HA ASP A 128 17.228 -2.738 -12.003 1.00 2.87 H new ATOM 0 HB2 ASP A 128 15.050 -4.671 -12.910 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.948 -2.944 -13.190 1.00 3.34 H new ATOM 1706 N GLU A 129 14.413 -3.602 -10.548 1.00 2.02 N ATOM 1707 CA GLU A 129 13.430 -3.207 -9.534 1.00 1.94 C ATOM 1708 C GLU A 129 14.071 -2.893 -8.184 1.00 1.62 C ATOM 1709 O GLU A 129 13.581 -2.042 -7.445 1.00 1.65 O ATOM 1710 CB GLU A 129 12.386 -4.309 -9.356 1.00 2.14 C ATOM 1711 CG GLU A 129 11.180 -3.875 -8.539 1.00 3.04 C ATOM 1712 CD GLU A 129 11.338 -4.175 -7.062 1.00 4.10 C ATOM 1713 OE1 GLU A 129 12.471 -4.482 -6.634 1.00 4.72 O ATOM 1714 OE2 GLU A 129 10.328 -4.104 -6.330 1.00 4.68 O ATOM 0 H GLU A 129 14.103 -4.365 -11.150 1.00 2.02 H new ATOM 0 HA GLU A 129 12.956 -2.294 -9.894 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.049 -4.642 -10.338 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.853 -5.167 -8.872 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.021 -2.805 -8.674 1.00 3.04 H new ATOM 0 HG3 GLU A 129 10.290 -4.380 -8.915 1.00 3.04 H new ATOM 1721 N ALA A 130 15.153 -3.584 -7.860 1.00 1.57 N ATOM 1722 CA ALA A 130 15.836 -3.369 -6.589 1.00 1.56 C ATOM 1723 C ALA A 130 16.131 -1.889 -6.351 1.00 1.41 C ATOM 1724 O ALA A 130 15.463 -1.234 -5.552 1.00 1.33 O ATOM 1725 CB ALA A 130 17.116 -4.181 -6.537 1.00 1.92 C ATOM 0 H ALA A 130 15.577 -4.296 -8.455 1.00 1.57 H new ATOM 0 HA ALA A 130 15.171 -3.703 -5.793 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.616 -4.011 -5.583 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.879 -5.240 -6.639 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.774 -3.876 -7.351 1.00 1.92 H new ATOM 1731 N GLU A 131 17.138 -1.370 -7.048 1.00 1.46 N ATOM 1732 CA GLU A 131 17.528 0.031 -6.909 1.00 1.46 C ATOM 1733 C GLU A 131 16.327 0.964 -7.049 1.00 1.38 C ATOM 1734 O GLU A 131 16.161 1.899 -6.265 1.00 1.37 O ATOM 1735 CB GLU A 131 18.588 0.390 -7.952 1.00 1.66 C ATOM 1736 CG GLU A 131 20.014 0.158 -7.476 1.00 1.92 C ATOM 1737 CD GLU A 131 20.591 -1.150 -7.979 1.00 2.55 C ATOM 1738 OE1 GLU A 131 19.890 -2.181 -7.895 1.00 3.30 O ATOM 1739 OE2 GLU A 131 21.745 -1.144 -8.458 1.00 2.84 O ATOM 0 H GLU A 131 17.700 -1.899 -7.715 1.00 1.46 H new ATOM 0 HA GLU A 131 17.943 0.162 -5.909 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.414 -0.199 -8.852 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.472 1.438 -8.230 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.644 0.982 -7.812 1.00 1.92 H new ATOM 0 HG3 GLU A 131 20.035 0.165 -6.386 1.00 1.92 H new ATOM 1746 N GLU A 132 15.497 0.706 -8.053 1.00 1.44 N ATOM 1747 CA GLU A 132 14.314 1.527 -8.298 1.00 1.53 C ATOM 1748 C GLU A 132 13.368 1.504 -7.101 1.00 1.29 C ATOM 1749 O GLU A 132 13.109 2.538 -6.481 1.00 1.22 O ATOM 1750 CB GLU A 132 13.582 1.040 -9.550 1.00 1.86 C ATOM 1751 CG GLU A 132 12.584 2.046 -10.099 1.00 2.46 C ATOM 1752 CD GLU A 132 13.252 3.175 -10.858 1.00 2.96 C ATOM 1753 OE1 GLU A 132 14.273 2.918 -11.529 1.00 3.44 O ATOM 1754 OE2 GLU A 132 12.754 4.318 -10.782 1.00 3.37 O ATOM 0 H GLU A 132 15.620 -0.064 -8.711 1.00 1.44 H new ATOM 0 HA GLU A 132 14.645 2.554 -8.452 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.315 0.809 -10.323 1.00 1.86 H new ATOM 0 HB3 GLU A 132 13.060 0.112 -9.318 1.00 1.86 H new ATOM 0 HG2 GLU A 132 11.883 1.534 -10.759 1.00 2.46 H new ATOM 0 HG3 GLU A 132 12.002 2.461 -9.276 1.00 2.46 H new ATOM 1761 N MET A 133 12.852 0.321 -6.782 1.00 1.28 N ATOM 1762 CA MET A 133 11.931 0.166 -5.661 1.00 1.23 C ATOM 1763 C MET A 133 12.559 0.664 -4.364 1.00 0.98 C ATOM 1764 O MET A 133 11.945 1.429 -3.622 1.00 0.92 O ATOM 1765 CB MET A 133 11.508 -1.296 -5.511 1.00 1.53 C ATOM 1766 CG MET A 133 10.075 -1.469 -5.029 1.00 1.39 C ATOM 1767 SD MET A 133 9.716 -0.499 -3.550 1.00 2.20 S ATOM 1768 CE MET A 133 7.926 -0.452 -3.598 1.00 2.47 C ATOM 0 H MET A 133 13.056 -0.544 -7.283 1.00 1.28 H new ATOM 0 HA MET A 133 11.047 0.769 -5.869 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.623 -1.799 -6.471 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.181 -1.790 -4.810 1.00 1.53 H new ATOM 0 HG2 MET A 133 9.390 -1.177 -5.825 1.00 1.39 H new ATOM 0 HG3 MET A 133 9.891 -2.523 -4.821 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.583 0.562 -3.391 1.00 2.47 H new ATOM 0 HE2 MET A 133 7.580 -0.758 -4.586 1.00 2.47 H new ATOM 0 HE3 MET A 133 7.524 -1.131 -2.847 1.00 2.47 H new ATOM 1778 N GLU A 134 13.788 0.233 -4.096 1.00 1.00 N ATOM 1779 CA GLU A 134 14.489 0.655 -2.890 1.00 0.98 C ATOM 1780 C GLU A 134 14.605 2.173 -2.855 1.00 0.85 C ATOM 1781 O GLU A 134 14.385 2.804 -1.819 1.00 0.92 O ATOM 1782 CB GLU A 134 15.880 0.021 -2.827 1.00 1.17 C ATOM 1783 CG GLU A 134 15.899 -1.339 -2.147 1.00 1.00 C ATOM 1784 CD GLU A 134 15.716 -2.482 -3.124 1.00 1.57 C ATOM 1785 OE1 GLU A 134 14.600 -2.628 -3.666 1.00 2.40 O ATOM 1786 OE2 GLU A 134 16.689 -3.232 -3.350 1.00 2.11 O ATOM 0 H GLU A 134 14.315 -0.404 -4.694 1.00 1.00 H new ATOM 0 HA GLU A 134 13.917 0.323 -2.024 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.269 -0.083 -3.840 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.553 0.693 -2.295 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.845 -1.464 -1.620 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.109 -1.377 -1.397 1.00 1.00 H new ATOM 1793 N SER A 135 14.943 2.753 -4.003 1.00 0.80 N ATOM 1794 CA SER A 135 15.079 4.196 -4.119 1.00 0.84 C ATOM 1795 C SER A 135 13.748 4.884 -3.843 1.00 0.80 C ATOM 1796 O SER A 135 13.640 5.700 -2.929 1.00 0.82 O ATOM 1797 CB SER A 135 15.584 4.573 -5.514 1.00 0.97 C ATOM 1798 OG SER A 135 15.826 5.966 -5.610 1.00 1.29 O ATOM 0 H SER A 135 15.127 2.242 -4.866 1.00 0.80 H new ATOM 0 HA SER A 135 15.805 4.531 -3.378 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.501 4.026 -5.732 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.849 4.276 -6.263 1.00 0.97 H new ATOM 0 HG SER A 135 16.149 6.181 -6.510 1.00 1.29 H new ATOM 1804 N LEU A 136 12.731 4.548 -4.634 1.00 0.81 N ATOM 1805 CA LEU A 136 11.411 5.141 -4.457 1.00 0.87 C ATOM 1806 C LEU A 136 10.859 4.818 -3.074 1.00 0.73 C ATOM 1807 O LEU A 136 10.126 5.610 -2.487 1.00 0.85 O ATOM 1808 CB LEU A 136 10.442 4.660 -5.546 1.00 0.98 C ATOM 1809 CG LEU A 136 9.941 3.220 -5.401 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.788 3.147 -4.407 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.510 2.678 -6.754 1.00 1.73 C ATOM 0 H LEU A 136 12.796 3.874 -5.397 1.00 0.81 H new ATOM 0 HA LEU A 136 11.513 6.223 -4.546 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.579 5.326 -5.558 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.934 4.758 -6.514 1.00 0.98 H new ATOM 0 HG LEU A 136 10.757 2.607 -5.020 1.00 1.16 H new ATOM 0 HD11 LEU A 136 8.448 2.115 -4.320 1.00 1.17 H new ATOM 0 HD12 LEU A 136 9.124 3.502 -3.433 1.00 1.17 H new ATOM 0 HD13 LEU A 136 7.966 3.772 -4.757 1.00 1.17 H new ATOM 0 HD21 LEU A 136 9.156 1.654 -6.639 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.707 3.297 -7.155 1.00 1.73 H new ATOM 0 HD23 LEU A 136 10.358 2.694 -7.439 1.00 1.73 H new ATOM 1817 N GLU A 137 11.227 3.653 -2.551 1.00 0.57 N ATOM 1818 CA GLU A 137 10.775 3.240 -1.231 1.00 0.51 C ATOM 1819 C GLU A 137 11.373 4.144 -0.165 1.00 0.52 C ATOM 1820 O GLU A 137 10.653 4.744 0.632 1.00 0.53 O ATOM 1821 CB GLU A 137 11.164 1.785 -0.960 1.00 0.52 C ATOM 1822 CG GLU A 137 10.661 1.261 0.375 1.00 1.16 C ATOM 1823 CD GLU A 137 11.618 1.554 1.514 1.00 1.87 C ATOM 1824 OE1 GLU A 137 11.488 2.629 2.137 1.00 2.45 O ATOM 1825 OE2 GLU A 137 12.498 0.710 1.784 1.00 2.54 O ATOM 0 H GLU A 137 11.835 2.982 -3.020 1.00 0.57 H new ATOM 0 HA GLU A 137 9.689 3.322 -1.198 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.770 1.157 -1.759 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.250 1.696 -0.990 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.692 1.709 0.595 1.00 1.16 H new ATOM 0 HG3 GLU A 137 10.506 0.184 0.303 1.00 1.16 H new ATOM 1832 N THR A 138 12.695 4.243 -0.166 1.00 0.57 N ATOM 1833 CA THR A 138 13.395 5.080 0.794 1.00 0.67 C ATOM 1834 C THR A 138 13.083 6.559 0.559 1.00 0.69 C ATOM 1835 O THR A 138 13.184 7.374 1.475 1.00 0.77 O ATOM 1836 CB THR A 138 14.903 4.835 0.698 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.240 3.568 1.233 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.726 5.873 1.424 1.00 1.10 C ATOM 0 H THR A 138 13.303 3.753 -0.822 1.00 0.57 H new ATOM 0 HA THR A 138 13.053 4.816 1.795 1.00 0.67 H new ATOM 0 HB THR A 138 15.137 4.890 -0.365 1.00 0.82 H new ATOM 0 HG1 THR A 138 16.207 3.429 1.161 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.785 5.639 1.315 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.527 6.857 1.000 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.461 5.873 2.481 1.00 1.10 H new ATOM 1843 N GLN A 139 12.711 6.899 -0.671 1.00 0.70 N ATOM 1844 CA GLN A 139 12.395 8.280 -1.017 1.00 0.79 C ATOM 1845 C GLN A 139 11.045 8.702 -0.443 1.00 0.67 C ATOM 1846 O GLN A 139 10.932 9.750 0.191 1.00 0.67 O ATOM 1847 CB GLN A 139 12.397 8.460 -2.534 1.00 0.92 C ATOM 1848 CG GLN A 139 12.655 9.890 -2.981 1.00 1.04 C ATOM 1849 CD GLN A 139 12.976 9.985 -4.459 1.00 1.29 C ATOM 1850 OE1 GLN A 139 12.575 11.087 -5.082 1.00 2.28 O flip ATOM 1851 NE2 GLN A 139 13.578 9.080 -5.035 1.00 1.28 N flip ATOM 0 H GLN A 139 12.621 6.239 -1.443 1.00 0.70 H new ATOM 0 HA GLN A 139 13.163 8.917 -0.579 1.00 0.79 H new ATOM 0 HB2 GLN A 139 13.158 7.811 -2.967 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.436 8.133 -2.931 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.778 10.500 -2.763 1.00 1.04 H new ATOM 0 HG3 GLN A 139 13.483 10.304 -2.405 1.00 1.04 H new ATOM 0 HE21 GLN A 139 13.868 8.250 -4.517 1.00 1.28 H new ATOM 0 HE22 GLN A 139 13.787 9.159 -6.030 1.00 1.28 H new ATOM 1858 N ILE A 140 10.021 7.881 -0.666 1.00 0.60 N ATOM 1859 CA ILE A 140 8.686 8.185 -0.160 1.00 0.52 C ATOM 1860 C ILE A 140 8.594 7.862 1.328 1.00 0.47 C ATOM 1861 O ILE A 140 7.854 8.503 2.067 1.00 0.48 O ATOM 1862 CB ILE A 140 7.580 7.406 -0.914 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.881 7.330 -2.412 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.225 8.064 -0.696 1.00 0.52 C ATOM 1865 CD1 ILE A 140 7.392 6.055 -3.062 1.00 1.12 C ATOM 0 H ILE A 140 10.089 7.008 -1.189 1.00 0.60 H new ATOM 0 HA ILE A 140 8.524 9.250 -0.324 1.00 0.52 H new ATOM 0 HB ILE A 140 7.556 6.392 -0.514 1.00 0.49 H new ATOM 0 HG12 ILE A 140 7.420 8.183 -2.911 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.957 7.416 -2.563 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.458 7.505 -1.232 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.991 8.071 0.369 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.254 9.088 -1.068 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.639 6.070 -4.123 1.00 1.12 H new ATOM 0 HD12 ILE A 140 7.872 5.198 -2.589 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.311 5.977 -2.942 1.00 1.12 H new ATOM 1869 N MET A 141 9.351 6.859 1.757 1.00 0.47 N ATOM 1870 CA MET A 141 9.365 6.444 3.156 1.00 0.51 C ATOM 1871 C MET A 141 10.376 7.249 3.975 1.00 0.62 C ATOM 1872 O MET A 141 10.025 7.868 4.979 1.00 0.71 O ATOM 1873 CB MET A 141 9.674 4.951 3.262 1.00 0.51 C ATOM 1874 CG MET A 141 8.644 4.075 2.571 1.00 0.53 C ATOM 1875 SD MET A 141 7.054 4.083 3.415 1.00 1.02 S ATOM 1876 CE MET A 141 6.277 5.509 2.660 1.00 0.44 C ATOM 0 H MET A 141 9.967 6.315 1.153 1.00 0.47 H new ATOM 0 HA MET A 141 8.374 6.637 3.567 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.655 4.758 2.828 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.731 4.672 4.314 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.509 4.419 1.545 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.018 3.053 2.518 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.715 6.059 3.415 1.00 0.44 H new ATOM 0 HE2 MET A 141 7.043 6.157 2.234 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.600 5.180 1.872 1.00 0.44 H new ATOM 1886 N GLN A 142 11.638 7.218 3.552 1.00 0.66 N ATOM 1887 CA GLN A 142 12.702 7.929 4.258 1.00 0.79 C ATOM 1888 C GLN A 142 12.812 9.381 3.797 1.00 0.80 C ATOM 1889 O GLN A 142 13.187 10.260 4.574 1.00 0.85 O ATOM 1890 CB GLN A 142 14.041 7.215 4.056 1.00 0.90 C ATOM 1891 CG GLN A 142 14.899 7.167 5.308 1.00 1.34 C ATOM 1892 CD GLN A 142 15.692 5.879 5.423 1.00 1.47 C ATOM 1893 OE1 GLN A 142 15.129 4.810 5.657 1.00 1.64 O ATOM 1894 NE2 GLN A 142 17.005 5.977 5.257 1.00 1.85 N ATOM 0 H GLN A 142 11.949 6.709 2.725 1.00 0.66 H new ATOM 0 HA GLN A 142 12.449 7.932 5.318 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.853 6.197 3.715 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.596 7.718 3.264 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.586 8.013 5.306 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.261 7.276 6.185 1.00 1.34 H new ATOM 0 HE21 GLN A 142 17.428 6.885 5.065 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.591 5.145 5.322 1.00 1.85 H new ATOM 1901 N GLY A 143 12.490 9.628 2.531 1.00 0.79 N ATOM 1902 CA GLY A 143 12.566 10.977 1.996 1.00 0.84 C ATOM 1903 C GLY A 143 11.274 11.753 2.179 1.00 0.81 C ATOM 1904 O GLY A 143 10.996 12.693 1.434 1.00 1.05 O ATOM 0 H GLY A 143 12.178 8.920 1.866 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.379 11.513 2.486 1.00 0.84 H new ATOM 0 HA3 GLY A 143 12.809 10.929 0.935 1.00 0.84 H new ATOM 1908 N LEU A 144 10.481 11.354 3.167 1.00 0.75 N ATOM 1909 CA LEU A 144 9.209 12.009 3.445 1.00 0.72 C ATOM 1910 C LEU A 144 9.276 12.798 4.749 1.00 0.87 C ATOM 1911 O LEU A 144 9.038 14.005 4.772 1.00 1.01 O ATOM 1912 CB LEU A 144 8.098 10.954 3.526 1.00 0.62 C ATOM 1913 CG LEU A 144 6.888 11.135 2.590 1.00 0.66 C ATOM 1914 CD1 LEU A 144 5.686 11.619 3.376 1.00 0.58 C ATOM 1915 CD2 LEU A 144 7.191 12.087 1.440 1.00 0.81 C ATOM 0 H LEU A 144 10.698 10.577 3.791 1.00 0.75 H new ATOM 0 HA LEU A 144 8.992 12.708 2.637 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.541 9.980 3.321 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.731 10.928 4.552 1.00 0.62 H new ATOM 0 HG LEU A 144 6.663 10.162 2.153 1.00 0.66 H new ATOM 0 HD11 LEU A 144 4.837 11.743 2.703 1.00 0.58 H new ATOM 0 HD12 LEU A 144 5.436 10.888 4.145 1.00 0.58 H new ATOM 0 HD13 LEU A 144 5.919 12.574 3.846 1.00 0.58 H new ATOM 0 HD21 LEU A 144 6.310 12.184 0.806 1.00 0.81 H new ATOM 0 HD22 LEU A 144 7.461 13.065 1.839 1.00 0.81 H new ATOM 0 HD23 LEU A 144 8.020 11.694 0.851 1.00 0.81 H new ATOM 1921 N GLY A 145 9.601 12.102 5.832 1.00 0.91 N ATOM 1922 CA GLY A 145 9.695 12.745 7.129 1.00 1.11 C ATOM 1923 C GLY A 145 8.593 12.308 8.075 1.00 1.11 C ATOM 1924 O GLY A 145 7.885 13.140 8.642 1.00 1.24 O ATOM 0 H GLY A 145 9.801 11.102 5.835 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.663 12.517 7.575 1.00 1.11 H new ATOM 0 HA3 GLY A 145 9.650 13.826 6.999 1.00 1.11 H new ATOM 1928 N PHE A 146 8.448 10.997 8.245 1.00 1.15 N ATOM 1929 CA PHE A 146 7.423 10.449 9.128 1.00 1.25 C ATOM 1930 C PHE A 146 7.854 10.546 10.587 1.00 1.47 C ATOM 1931 O PHE A 146 7.099 11.028 11.428 1.00 99.99 O ATOM 1932 CB PHE A 146 7.132 8.991 8.765 1.00 1.63 C ATOM 1933 CG PHE A 146 6.732 8.797 7.330 1.00 1.09 C ATOM 1934 CD1 PHE A 146 7.692 8.663 6.341 1.00 1.15 C ATOM 1935 CD2 PHE A 146 5.395 8.751 6.971 1.00 1.74 C ATOM 1936 CE1 PHE A 146 7.325 8.486 5.021 1.00 1.15 C ATOM 1937 CE2 PHE A 146 5.024 8.574 5.651 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.990 8.441 4.676 1.00 0.93 C ATOM 0 H PHE A 146 9.027 10.295 7.784 1.00 1.15 H new ATOM 0 HA PHE A 146 6.514 11.036 8.997 1.00 1.25 H new ATOM 0 HB2 PHE A 146 8.018 8.390 8.971 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.336 8.617 9.409 1.00 1.63 H new ATOM 0 HD1 PHE A 146 8.739 8.697 6.604 1.00 1.15 H new ATOM 0 HD2 PHE A 146 4.634 8.855 7.730 1.00 1.74 H new ATOM 0 HE1 PHE A 146 8.083 8.383 4.259 1.00 1.15 H new ATOM 0 HE2 PHE A 146 3.978 8.540 5.384 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.702 8.302 3.644 1.00 0.93 H new