USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 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: B 45 GLN : amide:sc= 0.00401 K(o=0.66,f=-5.7!) USER MOD Set 1.2: B 49 GLN : amide:sc= 0.66 K(o=0.66,f=-6.5!) USER MOD Set 2.1: B 27 LYS NZ :NH3+ 180:sc= 1.09 (180deg=0.569) USER MOD Set 2.2: B 91 TYR OH : rot 30:sc= 0.461 USER MOD Set 3.1: B 26 SER OG : rot -136:sc= 0.527 USER MOD Set 3.2: B 28 GLN : amide:sc= -4.11! X(o=-3.6!,f=-3.4) USER MOD Set 4.1: A 26 SER OG : rot 115:sc= 1.09 USER MOD Set 4.2: B 24 GLN : amide:sc= 1.33 K(o=2.4,f=-3.6!) USER MOD Single : A 24 GLN : amide:sc= 0.13 K(o=0.13,f=-6.7!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0168 (180deg=-0.25) USER MOD Single : A 28 GLN : amide:sc= -5.09! C(o=-5.1!,f=-4!) USER MOD Single : A 31 SER OG : rot -85:sc= 1.29 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.033 (180deg=-0.247) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0.951 (180deg=0.942) USER MOD Single : A 40 THR OG1 : rot -106:sc= 1.01 USER MOD Single : A 42 ASN : amide:sc=-0.00756 X(o=-0.0076,f=-0.008) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.985 X(o=-0.99,f=-1.2) USER MOD Single : A 46 SER OG : rot -38:sc= 0.579 USER MOD Single : A 49 GLN : amide:sc= 0.396 K(o=0.4,f=-9.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : A 61 SER OG : rot 58:sc= 0.529 USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0564) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -15:sc= 0.395 USER MOD Single : A 73 HIS : no HE2:sc= -2.53! C(o=-2.5!,f=-5.3!) USER MOD Single : A 80 HIS : no HE2:sc= 0.977 K(o=0.98,f=-4.9!) USER MOD Single : A 83 ASN : amide:sc= -2.06! C(o=-2.1!,f=-3.2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.889 K(o=0.89,f=-7.1!) USER MOD Single : B 31 SER OG : rot -86:sc= 1.13 USER MOD Single : B 32 HIS : no HD1:sc= 0.0746 K(o=0.075,f=-4.3!) USER MOD Single : B 34 LYS NZ :NH3+ -155:sc= 0.143 (180deg=0.021) USER MOD Single : B 37 LYS NZ :NH3+ 155:sc= 1.05 (180deg=0.0679) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= 0.0375 K(o=0.038,f=-1.1) USER MOD Single : B 44 SER OG : rot 44:sc= 1.23 USER MOD Single : B 46 SER OG : rot 180:sc= 0.0884 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 180:sc= 0.0382 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : B 61 SER OG : rot 180:sc= -0.455 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 TYR OH : rot 180:sc= -0.778 USER MOD Single : B 72 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= -0.273! C(o=-0.27!,f=-5!) USER MOD Single : B 80 HIS : no HE2:sc= 0.22 K(o=0.22,f=-4.5!) USER MOD Single : B 83 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.21) USER MOD Single : B 92 ASN : amide:sc= 0.141 K(o=0.14,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -7.562 -5.694 -8.520 1.00 0.00 N ATOM 2 CA ALA A 22 -7.649 -4.594 -7.535 1.00 0.00 C ATOM 3 C ALA A 22 -6.253 -4.102 -7.171 1.00 0.00 C ATOM 4 O ALA A 22 -5.277 -4.837 -7.315 1.00 0.00 O ATOM 5 CB ALA A 22 -8.390 -5.057 -6.291 1.00 0.00 C ATOM 0 HA ALA A 22 -8.204 -3.768 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.446 -4.237 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.398 -5.371 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.858 -5.895 -5.842 1.00 0.00 H new ATOM 13 N GLU A 23 -6.155 -2.862 -6.703 1.00 0.00 N ATOM 14 CA GLU A 23 -4.869 -2.290 -6.316 1.00 0.00 C ATOM 15 C GLU A 23 -4.929 -1.784 -4.879 1.00 0.00 C ATOM 16 O GLU A 23 -6.014 -1.555 -4.345 1.00 0.00 O ATOM 17 CB GLU A 23 -4.476 -1.149 -7.261 1.00 0.00 C ATOM 18 CG GLU A 23 -4.470 -1.548 -8.728 1.00 0.00 C ATOM 19 CD GLU A 23 -3.806 -0.517 -9.614 1.00 0.00 C ATOM 20 OE1 GLU A 23 -4.410 0.552 -9.854 1.00 0.00 O ATOM 21 OE2 GLU A 23 -2.675 -0.769 -10.074 1.00 0.00 O ATOM 0 H GLU A 23 -6.950 -2.234 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.112 -3.071 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.168 -0.319 -7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.485 -0.787 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.954 -2.502 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.496 -1.701 -9.062 1.00 0.00 H new ATOM 28 N GLN A 24 -3.772 -1.615 -4.248 1.00 0.00 N ATOM 29 CA GLN A 24 -3.739 -1.172 -2.861 1.00 0.00 C ATOM 30 C GLN A 24 -3.331 0.288 -2.740 1.00 0.00 C ATOM 31 O GLN A 24 -2.376 0.739 -3.375 1.00 0.00 O ATOM 32 CB GLN A 24 -2.793 -2.027 -2.007 1.00 0.00 C ATOM 33 CG GLN A 24 -2.767 -1.572 -0.552 1.00 0.00 C ATOM 34 CD GLN A 24 -1.915 -2.430 0.360 1.00 0.00 C ATOM 35 OE1 GLN A 24 -2.227 -2.575 1.539 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.824 -2.971 -0.156 1.00 0.00 N ATOM 0 H GLN A 24 -2.857 -1.776 -4.669 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.756 -1.289 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.105 -3.070 -2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.786 -1.976 -2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.400 -0.546 -0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.788 -1.561 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.600 -2.827 -1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.207 -3.532 0.431 1.00 0.00 H new ATOM 45 N VAL A 25 -4.070 1.008 -1.912 1.00 0.00 N ATOM 46 CA VAL A 25 -3.725 2.366 -1.525 1.00 0.00 C ATOM 47 C VAL A 25 -3.725 2.455 -0.003 1.00 0.00 C ATOM 48 O VAL A 25 -4.233 1.554 0.669 1.00 0.00 O ATOM 49 CB VAL A 25 -4.712 3.403 -2.109 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.593 3.467 -3.624 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.142 3.077 -1.700 1.00 0.00 C ATOM 0 H VAL A 25 -4.931 0.665 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.738 2.597 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.454 4.381 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.296 4.203 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.578 3.755 -3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.819 2.489 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.819 3.819 -2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.410 2.088 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.221 3.090 -0.613 1.00 0.00 H new ATOM 61 N SER A 26 -3.150 3.506 0.549 1.00 0.00 N ATOM 62 CA SER A 26 -3.111 3.666 1.989 1.00 0.00 C ATOM 63 C SER A 26 -4.172 4.652 2.468 1.00 0.00 C ATOM 64 O SER A 26 -4.883 5.264 1.664 1.00 0.00 O ATOM 65 CB SER A 26 -1.719 4.114 2.438 1.00 0.00 C ATOM 66 OG SER A 26 -0.755 3.109 2.178 1.00 0.00 O ATOM 0 H SER A 26 -2.705 4.259 0.024 1.00 0.00 H new ATOM 0 HA SER A 26 -3.330 2.698 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.443 5.031 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.733 4.343 3.504 1.00 0.00 H new ATOM 0 HG SER A 26 -0.117 3.433 1.509 1.00 0.00 H new ATOM 72 N LYS A 27 -4.266 4.788 3.791 1.00 0.00 N ATOM 73 CA LYS A 27 -5.220 5.685 4.439 1.00 0.00 C ATOM 74 C LYS A 27 -5.186 7.078 3.823 1.00 0.00 C ATOM 75 O LYS A 27 -6.223 7.723 3.657 1.00 0.00 O ATOM 76 CB LYS A 27 -4.892 5.760 5.937 1.00 0.00 C ATOM 77 CG LYS A 27 -5.367 7.031 6.629 1.00 0.00 C ATOM 78 CD LYS A 27 -4.832 7.112 8.050 1.00 0.00 C ATOM 79 CE LYS A 27 -5.071 8.480 8.668 1.00 0.00 C ATOM 80 NZ LYS A 27 -4.298 9.555 7.985 1.00 0.00 N ATOM 0 H LYS A 27 -3.677 4.274 4.447 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.226 5.290 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.340 4.901 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.813 5.675 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.038 7.902 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.457 7.055 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.311 6.348 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.764 6.896 8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.134 8.716 8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.796 8.452 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.273 10.402 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.327 9.227 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.753 9.788 7.079 1.00 0.00 H new ATOM 94 N GLN A 28 -3.992 7.519 3.468 1.00 0.00 N ATOM 95 CA GLN A 28 -3.782 8.858 2.955 1.00 0.00 C ATOM 96 C GLN A 28 -4.500 9.052 1.623 1.00 0.00 C ATOM 97 O GLN A 28 -5.147 10.078 1.406 1.00 0.00 O ATOM 98 CB GLN A 28 -2.286 9.144 2.797 1.00 0.00 C ATOM 99 CG GLN A 28 -1.487 9.092 4.097 1.00 0.00 C ATOM 100 CD GLN A 28 -1.297 7.687 4.638 1.00 0.00 C ATOM 101 OE1 GLN A 28 -2.080 7.202 5.450 1.00 0.00 O ATOM 102 NE2 GLN A 28 -0.263 7.017 4.168 1.00 0.00 N ATOM 0 H GLN A 28 -3.142 6.958 3.528 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.200 9.563 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.864 8.423 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.164 10.131 2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.509 9.544 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.994 9.697 4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.365 7.455 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.091 6.061 4.478 1.00 0.00 H new ATOM 111 N GLU A 29 -4.400 8.062 0.743 1.00 0.00 N ATOM 112 CA GLU A 29 -5.044 8.140 -0.559 1.00 0.00 C ATOM 113 C GLU A 29 -6.551 7.972 -0.409 1.00 0.00 C ATOM 114 O GLU A 29 -7.334 8.686 -1.040 1.00 0.00 O ATOM 115 CB GLU A 29 -4.493 7.077 -1.521 1.00 0.00 C ATOM 116 CG GLU A 29 -2.976 7.093 -1.668 1.00 0.00 C ATOM 117 CD GLU A 29 -2.285 6.148 -0.701 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.272 6.435 0.513 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.770 5.103 -1.153 1.00 0.00 O ATOM 0 H GLU A 29 -3.881 7.200 0.908 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.829 9.122 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.803 6.092 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.943 7.223 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.711 6.819 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.610 8.106 -1.504 1.00 0.00 H new ATOM 126 N ILE A 30 -6.947 7.040 0.451 1.00 0.00 N ATOM 127 CA ILE A 30 -8.360 6.759 0.695 1.00 0.00 C ATOM 128 C ILE A 30 -9.097 8.003 1.189 1.00 0.00 C ATOM 129 O ILE A 30 -10.213 8.289 0.753 1.00 0.00 O ATOM 130 CB ILE A 30 -8.537 5.619 1.727 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.866 4.338 1.223 1.00 0.00 C ATOM 132 CG2 ILE A 30 -10.014 5.372 2.009 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.898 3.198 2.220 1.00 0.00 C ATOM 0 H ILE A 30 -6.306 6.462 0.995 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.789 6.447 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.058 5.920 2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.358 4.019 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.829 4.558 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.116 4.567 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.465 6.281 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.519 5.091 1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.404 2.326 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.380 3.497 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.933 2.950 2.456 1.00 0.00 H new ATOM 145 N SER A 31 -8.461 8.752 2.079 1.00 0.00 N ATOM 146 CA SER A 31 -9.084 9.931 2.663 1.00 0.00 C ATOM 147 C SER A 31 -8.979 11.144 1.738 1.00 0.00 C ATOM 148 O SER A 31 -9.765 12.081 1.848 1.00 0.00 O ATOM 149 CB SER A 31 -8.459 10.237 4.027 1.00 0.00 C ATOM 150 OG SER A 31 -7.043 10.208 3.959 1.00 0.00 O ATOM 0 H SER A 31 -7.515 8.564 2.412 1.00 0.00 H new ATOM 0 HA SER A 31 -10.144 9.716 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.789 11.217 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.806 9.509 4.761 1.00 0.00 H new ATOM 0 HG SER A 31 -6.729 9.287 4.073 1.00 0.00 H new ATOM 156 N HIS A 32 -8.020 11.122 0.819 1.00 0.00 N ATOM 157 CA HIS A 32 -7.840 12.239 -0.106 1.00 0.00 C ATOM 158 C HIS A 32 -8.769 12.101 -1.311 1.00 0.00 C ATOM 159 O HIS A 32 -9.377 13.074 -1.753 1.00 0.00 O ATOM 160 CB HIS A 32 -6.380 12.335 -0.566 1.00 0.00 C ATOM 161 CG HIS A 32 -6.102 13.502 -1.470 1.00 0.00 C ATOM 162 ND1 HIS A 32 -5.803 14.764 -1.003 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.081 13.591 -2.819 1.00 0.00 C ATOM 164 CE1 HIS A 32 -5.611 15.577 -2.025 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.774 14.889 -3.140 1.00 0.00 N ATOM 0 H HIS A 32 -7.361 10.353 0.694 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.096 13.157 0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.737 12.406 0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.111 11.414 -1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.271 12.788 -3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.363 16.626 -1.960 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.686 15.262 -4.085 1.00 0.00 H new ATOM 174 N PHE A 33 -8.876 10.891 -1.840 1.00 0.00 N ATOM 175 CA PHE A 33 -9.722 10.649 -3.002 1.00 0.00 C ATOM 176 C PHE A 33 -11.146 10.309 -2.577 1.00 0.00 C ATOM 177 O PHE A 33 -12.059 10.305 -3.403 1.00 0.00 O ATOM 178 CB PHE A 33 -9.142 9.529 -3.869 1.00 0.00 C ATOM 179 CG PHE A 33 -7.856 9.905 -4.552 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.873 10.606 -5.749 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.632 9.561 -4.000 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.696 10.957 -6.380 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.451 9.910 -4.627 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.483 10.608 -5.819 1.00 0.00 C ATOM 0 H PHE A 33 -8.392 10.066 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.751 11.564 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.971 8.650 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.876 9.247 -4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.819 10.881 -6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.601 9.014 -3.069 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.724 11.504 -7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.504 9.637 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.561 10.880 -6.311 1.00 0.00 H new ATOM 194 N LYS A 34 -11.318 10.041 -1.282 1.00 0.00 N ATOM 195 CA LYS A 34 -12.625 9.719 -0.707 1.00 0.00 C ATOM 196 C LYS A 34 -13.201 8.458 -1.343 1.00 0.00 C ATOM 197 O LYS A 34 -14.010 8.525 -2.272 1.00 0.00 O ATOM 198 CB LYS A 34 -13.603 10.889 -0.867 1.00 0.00 C ATOM 199 CG LYS A 34 -13.124 12.184 -0.228 1.00 0.00 C ATOM 200 CD LYS A 34 -13.132 12.107 1.289 1.00 0.00 C ATOM 201 CE LYS A 34 -12.581 13.381 1.910 1.00 0.00 C ATOM 202 NZ LYS A 34 -13.343 14.589 1.494 1.00 0.00 N ATOM 0 H LYS A 34 -10.557 10.041 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.482 9.537 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.777 11.062 -1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.561 10.611 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.115 12.408 -0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.762 13.006 -0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.150 11.939 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.537 11.254 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.608 13.294 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.535 13.498 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.055 15.399 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.146 14.796 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.361 14.417 1.618 1.00 0.00 H new ATOM 216 N LEU A 35 -12.759 7.311 -0.856 1.00 0.00 N ATOM 217 CA LEU A 35 -13.211 6.036 -1.388 1.00 0.00 C ATOM 218 C LEU A 35 -14.372 5.489 -0.568 1.00 0.00 C ATOM 219 O LEU A 35 -14.479 5.753 0.629 1.00 0.00 O ATOM 220 CB LEU A 35 -12.056 5.032 -1.411 1.00 0.00 C ATOM 221 CG LEU A 35 -10.869 5.434 -2.288 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.757 4.404 -2.186 1.00 0.00 C ATOM 223 CD2 LEU A 35 -11.307 5.601 -3.737 1.00 0.00 C ATOM 0 H LEU A 35 -12.087 7.236 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.559 6.194 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.702 4.885 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.436 4.071 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.487 6.390 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.921 4.707 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.423 4.331 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.128 3.434 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.449 5.887 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.715 4.659 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.071 6.376 -3.799 1.00 0.00 H new ATOM 235 N VAL A 36 -15.241 4.733 -1.224 1.00 0.00 N ATOM 236 CA VAL A 36 -16.409 4.163 -0.575 1.00 0.00 C ATOM 237 C VAL A 36 -16.050 2.839 0.090 1.00 0.00 C ATOM 238 O VAL A 36 -15.516 1.936 -0.556 1.00 0.00 O ATOM 239 CB VAL A 36 -17.555 3.932 -1.587 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.795 3.389 -0.893 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.878 5.219 -2.331 1.00 0.00 C ATOM 0 H VAL A 36 -15.156 4.500 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.748 4.873 0.180 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.222 3.188 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.585 3.236 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.557 2.440 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.132 4.102 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.687 5.037 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.185 5.984 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.994 5.559 -2.870 1.00 0.00 H new ATOM 251 N LYS A 37 -16.335 2.736 1.379 1.00 0.00 N ATOM 252 CA LYS A 37 -16.036 1.531 2.136 1.00 0.00 C ATOM 253 C LYS A 37 -17.079 0.463 1.829 1.00 0.00 C ATOM 254 O LYS A 37 -18.217 0.540 2.295 1.00 0.00 O ATOM 255 CB LYS A 37 -16.005 1.853 3.638 1.00 0.00 C ATOM 256 CG LYS A 37 -15.221 0.859 4.486 1.00 0.00 C ATOM 257 CD LYS A 37 -15.976 -0.441 4.709 1.00 0.00 C ATOM 258 CE LYS A 37 -15.154 -1.424 5.527 1.00 0.00 C ATOM 259 NZ LYS A 37 -14.791 -0.880 6.863 1.00 0.00 N ATOM 0 H LYS A 37 -16.775 3.477 1.925 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.056 1.151 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.574 2.845 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.029 1.897 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.269 0.644 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.991 1.312 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.916 -0.235 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.228 -0.887 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.718 -2.348 5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.245 -1.677 4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.217 -1.578 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.245 -0.003 6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.657 -0.678 7.403 1.00 0.00 H new ATOM 273 N VAL A 38 -16.687 -0.520 1.030 1.00 0.00 N ATOM 274 CA VAL A 38 -17.596 -1.577 0.613 1.00 0.00 C ATOM 275 C VAL A 38 -17.710 -2.645 1.696 1.00 0.00 C ATOM 276 O VAL A 38 -18.808 -2.979 2.149 1.00 0.00 O ATOM 277 CB VAL A 38 -17.127 -2.236 -0.704 1.00 0.00 C ATOM 278 CG1 VAL A 38 -18.108 -3.306 -1.159 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.936 -1.187 -1.789 1.00 0.00 C ATOM 0 H VAL A 38 -15.742 -0.607 0.657 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.571 -1.120 0.448 1.00 0.00 H new ATOM 0 HB VAL A 38 -16.167 -2.717 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.754 -3.753 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.187 -4.077 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.087 -2.856 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.606 -1.670 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.880 -0.673 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.185 -0.465 -1.469 1.00 0.00 H new ATOM 289 N GLY A 39 -16.566 -3.161 2.117 1.00 0.00 N ATOM 290 CA GLY A 39 -16.542 -4.211 3.111 1.00 0.00 C ATOM 291 C GLY A 39 -15.133 -4.515 3.565 1.00 0.00 C ATOM 292 O GLY A 39 -14.221 -3.720 3.335 1.00 0.00 O ATOM 0 H GLY A 39 -15.647 -2.868 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.145 -3.914 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.995 -5.113 2.699 1.00 0.00 H new ATOM 296 N THR A 40 -14.947 -5.659 4.198 1.00 0.00 N ATOM 297 CA THR A 40 -13.640 -6.053 4.697 1.00 0.00 C ATOM 298 C THR A 40 -13.351 -7.509 4.321 1.00 0.00 C ATOM 299 O THR A 40 -14.257 -8.343 4.316 1.00 0.00 O ATOM 300 CB THR A 40 -13.573 -5.882 6.233 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.072 -4.585 6.607 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.149 -6.042 6.745 1.00 0.00 C ATOM 0 H THR A 40 -15.688 -6.336 4.380 1.00 0.00 H new ATOM 0 HA THR A 40 -12.887 -5.410 4.241 1.00 0.00 H new ATOM 0 HB THR A 40 -14.191 -6.659 6.682 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.323 -4.007 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.135 -5.916 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.780 -7.036 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.510 -5.289 6.284 1.00 0.00 H new ATOM 310 N ILE A 41 -12.102 -7.803 3.978 1.00 0.00 N ATOM 311 CA ILE A 41 -11.701 -9.162 3.637 1.00 0.00 C ATOM 312 C ILE A 41 -10.559 -9.620 4.531 1.00 0.00 C ATOM 313 O ILE A 41 -9.816 -8.802 5.077 1.00 0.00 O ATOM 314 CB ILE A 41 -11.253 -9.296 2.160 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.138 -8.294 1.838 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.433 -9.111 1.218 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.580 -8.427 0.436 1.00 0.00 C ATOM 0 H ILE A 41 -11.349 -7.117 3.929 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.580 -9.788 3.788 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.859 -10.302 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.522 -7.283 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.327 -8.424 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.094 -9.209 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.187 -9.870 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.864 -8.121 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.796 -7.685 0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.164 -9.426 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.377 -8.266 -0.290 1.00 0.00 H new ATOM 329 N ASN A 42 -10.421 -10.924 4.687 1.00 0.00 N ATOM 330 CA ASN A 42 -9.315 -11.474 5.448 1.00 0.00 C ATOM 331 C ASN A 42 -8.828 -12.765 4.808 1.00 0.00 C ATOM 332 O ASN A 42 -9.622 -13.637 4.450 1.00 0.00 O ATOM 333 CB ASN A 42 -9.702 -11.703 6.919 1.00 0.00 C ATOM 334 CG ASN A 42 -10.760 -12.776 7.115 1.00 0.00 C ATOM 335 OD1 ASN A 42 -10.441 -13.952 7.296 1.00 0.00 O ATOM 336 ND2 ASN A 42 -12.024 -12.377 7.095 1.00 0.00 N ATOM 0 H ASN A 42 -11.058 -11.619 4.299 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.501 -10.749 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.810 -11.979 7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.066 -10.766 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.775 -13.054 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.246 -11.393 6.942 1.00 0.00 H new ATOM 343 N VAL A 43 -7.525 -12.856 4.620 1.00 0.00 N ATOM 344 CA VAL A 43 -6.913 -14.053 4.081 1.00 0.00 C ATOM 345 C VAL A 43 -6.286 -14.861 5.206 1.00 0.00 C ATOM 346 O VAL A 43 -5.209 -14.524 5.701 1.00 0.00 O ATOM 347 CB VAL A 43 -5.835 -13.726 3.021 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.214 -15.000 2.469 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.421 -12.893 1.891 1.00 0.00 C ATOM 0 H VAL A 43 -6.866 -12.108 4.835 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.698 -14.632 3.593 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.053 -13.144 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.459 -14.744 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.749 -15.559 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.988 -15.611 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.644 -12.676 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.228 -13.447 1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.812 -11.958 2.293 1.00 0.00 H new ATOM 359 N SER A 44 -6.981 -15.900 5.632 1.00 0.00 N ATOM 360 CA SER A 44 -6.469 -16.789 6.655 1.00 0.00 C ATOM 361 C SER A 44 -5.913 -18.044 5.995 1.00 0.00 C ATOM 362 O SER A 44 -6.661 -18.844 5.434 1.00 0.00 O ATOM 363 CB SER A 44 -7.577 -17.144 7.655 1.00 0.00 C ATOM 364 OG SER A 44 -7.068 -17.885 8.754 1.00 0.00 O ATOM 0 H SER A 44 -7.906 -16.148 5.282 1.00 0.00 H new ATOM 0 HA SER A 44 -5.669 -16.292 7.204 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.048 -16.230 8.018 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.351 -17.723 7.152 1.00 0.00 H new ATOM 0 HG SER A 44 -7.798 -18.094 9.374 1.00 0.00 H new ATOM 370 N GLN A 45 -4.600 -18.192 6.030 1.00 0.00 N ATOM 371 CA GLN A 45 -3.947 -19.324 5.392 1.00 0.00 C ATOM 372 C GLN A 45 -3.306 -20.235 6.423 1.00 0.00 C ATOM 373 O GLN A 45 -2.917 -19.787 7.499 1.00 0.00 O ATOM 374 CB GLN A 45 -2.903 -18.847 4.386 1.00 0.00 C ATOM 375 CG GLN A 45 -3.508 -18.155 3.179 1.00 0.00 C ATOM 376 CD GLN A 45 -4.477 -19.043 2.420 1.00 0.00 C ATOM 377 OE1 GLN A 45 -4.344 -20.266 2.413 1.00 0.00 O ATOM 378 NE2 GLN A 45 -5.458 -18.433 1.778 1.00 0.00 N ATOM 0 H GLN A 45 -3.964 -17.543 6.493 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.709 -19.893 4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.216 -18.162 4.883 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.315 -19.701 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.026 -17.253 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.709 -17.839 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.533 -17.416 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.140 -18.979 1.252 1.00 0.00 H new ATOM 387 N SER A 46 -3.177 -21.504 6.067 1.00 0.00 N ATOM 388 CA SER A 46 -2.696 -22.522 6.990 1.00 0.00 C ATOM 389 C SER A 46 -1.177 -22.679 6.901 1.00 0.00 C ATOM 390 O SER A 46 -0.617 -23.679 7.357 1.00 0.00 O ATOM 391 CB SER A 46 -3.390 -23.855 6.681 1.00 0.00 C ATOM 392 OG SER A 46 -3.100 -24.835 7.661 1.00 0.00 O ATOM 0 H SER A 46 -3.401 -21.856 5.136 1.00 0.00 H new ATOM 0 HA SER A 46 -2.935 -22.212 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.468 -23.701 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.071 -24.213 5.702 1.00 0.00 H new ATOM 0 HG SER A 46 -2.167 -24.745 7.948 1.00 0.00 H new ATOM 398 N GLY A 47 -0.509 -21.693 6.325 1.00 0.00 N ATOM 399 CA GLY A 47 0.932 -21.754 6.222 1.00 0.00 C ATOM 400 C GLY A 47 1.491 -20.738 5.256 1.00 0.00 C ATOM 401 O GLY A 47 1.032 -19.595 5.207 1.00 0.00 O ATOM 0 H GLY A 47 -0.936 -20.856 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.370 -21.592 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.227 -22.754 5.903 1.00 0.00 H new ATOM 405 N GLY A 48 2.461 -21.167 4.463 1.00 0.00 N ATOM 406 CA GLY A 48 3.154 -20.263 3.577 1.00 0.00 C ATOM 407 C GLY A 48 2.525 -20.169 2.203 1.00 0.00 C ATOM 408 O GLY A 48 3.233 -20.156 1.200 1.00 0.00 O ATOM 0 H GLY A 48 2.781 -22.135 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.176 -19.271 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.189 -20.589 3.473 1.00 0.00 H new ATOM 412 N GLN A 49 1.195 -20.129 2.150 1.00 0.00 N ATOM 413 CA GLN A 49 0.504 -19.821 0.904 1.00 0.00 C ATOM 414 C GLN A 49 0.887 -18.414 0.475 1.00 0.00 C ATOM 415 O GLN A 49 1.033 -18.121 -0.709 1.00 0.00 O ATOM 416 CB GLN A 49 -1.020 -19.941 1.051 1.00 0.00 C ATOM 417 CG GLN A 49 -1.538 -21.375 1.064 1.00 0.00 C ATOM 418 CD GLN A 49 -1.490 -22.034 2.431 1.00 0.00 C ATOM 419 OE1 GLN A 49 -0.667 -21.699 3.276 1.00 0.00 O ATOM 420 NE2 GLN A 49 -2.382 -22.987 2.654 1.00 0.00 N ATOM 0 H GLN A 49 0.582 -20.304 2.946 1.00 0.00 H new ATOM 0 HA GLN A 49 0.806 -20.543 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.324 -19.449 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.496 -19.403 0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.567 -21.383 0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.951 -21.969 0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.052 -23.239 1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.400 -23.469 3.553 1.00 0.00 H new ATOM 429 N ILE A 50 1.053 -17.549 1.466 1.00 0.00 N ATOM 430 CA ILE A 50 1.635 -16.239 1.250 1.00 0.00 C ATOM 431 C ILE A 50 3.059 -16.246 1.799 1.00 0.00 C ATOM 432 O ILE A 50 3.293 -15.973 2.977 1.00 0.00 O ATOM 433 CB ILE A 50 0.814 -15.094 1.908 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.520 -14.872 1.180 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.610 -13.797 1.925 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.551 -15.955 1.412 1.00 0.00 C ATOM 0 H ILE A 50 0.789 -17.737 2.433 1.00 0.00 H new ATOM 0 HA ILE A 50 1.631 -16.041 0.178 1.00 0.00 H new ATOM 0 HB ILE A 50 0.603 -15.396 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.938 -13.917 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.327 -14.795 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.015 -13.011 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.529 -13.941 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.857 -13.509 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.460 -15.716 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.158 -16.911 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.779 -16.019 2.476 1.00 0.00 H new ATOM 448 N SER A 51 3.995 -16.640 0.954 1.00 0.00 N ATOM 449 CA SER A 51 5.393 -16.695 1.336 1.00 0.00 C ATOM 450 C SER A 51 6.127 -15.437 0.889 1.00 0.00 C ATOM 451 O SER A 51 7.137 -15.049 1.476 1.00 0.00 O ATOM 452 CB SER A 51 6.033 -17.947 0.739 1.00 0.00 C ATOM 453 OG SER A 51 5.439 -18.276 -0.507 1.00 0.00 O ATOM 0 H SER A 51 3.810 -16.928 -0.007 1.00 0.00 H new ATOM 0 HA SER A 51 5.465 -16.745 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.102 -17.784 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.922 -18.782 1.431 1.00 0.00 H new ATOM 0 HG SER A 51 5.866 -19.080 -0.871 1.00 0.00 H new ATOM 459 N SER A 52 5.611 -14.806 -0.151 1.00 0.00 N ATOM 460 CA SER A 52 6.156 -13.552 -0.631 1.00 0.00 C ATOM 461 C SER A 52 5.049 -12.500 -0.669 1.00 0.00 C ATOM 462 O SER A 52 3.872 -12.842 -0.798 1.00 0.00 O ATOM 463 CB SER A 52 6.764 -13.749 -2.025 1.00 0.00 C ATOM 464 OG SER A 52 7.648 -14.863 -2.045 1.00 0.00 O ATOM 0 H SER A 52 4.809 -15.146 -0.682 1.00 0.00 H new ATOM 0 HA SER A 52 6.943 -13.211 0.042 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.968 -13.899 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.302 -12.848 -2.321 1.00 0.00 H new ATOM 0 HG SER A 52 8.021 -14.968 -2.945 1.00 0.00 H new ATOM 470 N PRO A 53 5.399 -11.208 -0.545 1.00 0.00 N ATOM 471 CA PRO A 53 4.418 -10.113 -0.584 1.00 0.00 C ATOM 472 C PRO A 53 3.587 -10.121 -1.868 1.00 0.00 C ATOM 473 O PRO A 53 2.450 -9.645 -1.889 1.00 0.00 O ATOM 474 CB PRO A 53 5.275 -8.841 -0.502 1.00 0.00 C ATOM 475 CG PRO A 53 6.675 -9.279 -0.778 1.00 0.00 C ATOM 476 CD PRO A 53 6.766 -10.710 -0.334 1.00 0.00 C ATOM 0 HA PRO A 53 3.692 -10.196 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.946 -8.100 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.196 -8.378 0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.909 -9.186 -1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.390 -8.658 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.495 -11.269 -0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.068 -10.790 0.710 1.00 0.00 H new ATOM 484 N SER A 54 4.157 -10.678 -2.930 1.00 0.00 N ATOM 485 CA SER A 54 3.458 -10.814 -4.200 1.00 0.00 C ATOM 486 C SER A 54 2.263 -11.759 -4.061 1.00 0.00 C ATOM 487 O SER A 54 1.186 -11.501 -4.601 1.00 0.00 O ATOM 488 CB SER A 54 4.426 -11.332 -5.261 1.00 0.00 C ATOM 489 OG SER A 54 5.647 -10.608 -5.223 1.00 0.00 O ATOM 0 H SER A 54 5.109 -11.045 -2.935 1.00 0.00 H new ATOM 0 HA SER A 54 3.081 -9.837 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.621 -12.392 -5.096 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.974 -11.241 -6.249 1.00 0.00 H new ATOM 0 HG SER A 54 6.255 -10.955 -5.909 1.00 0.00 H new ATOM 495 N ASP A 55 2.455 -12.838 -3.304 1.00 0.00 N ATOM 496 CA ASP A 55 1.398 -13.824 -3.083 1.00 0.00 C ATOM 497 C ASP A 55 0.312 -13.219 -2.211 1.00 0.00 C ATOM 498 O ASP A 55 -0.874 -13.515 -2.366 1.00 0.00 O ATOM 499 CB ASP A 55 1.952 -15.082 -2.402 1.00 0.00 C ATOM 500 CG ASP A 55 3.178 -15.632 -3.092 1.00 0.00 C ATOM 501 OD1 ASP A 55 3.080 -16.038 -4.269 1.00 0.00 O ATOM 502 OD2 ASP A 55 4.257 -15.640 -2.465 1.00 0.00 O ATOM 0 H ASP A 55 3.334 -13.052 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 55 0.986 -14.106 -4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.198 -14.850 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.178 -15.849 -2.382 1.00 0.00 H new ATOM 507 N LEU A 56 0.738 -12.362 -1.292 1.00 0.00 N ATOM 508 CA LEU A 56 -0.176 -11.672 -0.397 1.00 0.00 C ATOM 509 C LEU A 56 -1.161 -10.823 -1.187 1.00 0.00 C ATOM 510 O LEU A 56 -2.375 -10.948 -1.022 1.00 0.00 O ATOM 511 CB LEU A 56 0.608 -10.794 0.581 1.00 0.00 C ATOM 512 CG LEU A 56 -0.236 -10.065 1.626 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.046 -11.058 2.444 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.651 -9.229 2.532 1.00 0.00 C ATOM 0 H LEU A 56 1.720 -12.128 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.737 -12.418 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.338 -11.417 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.168 -10.054 0.010 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.928 -9.400 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.641 -10.521 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.708 -11.619 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.371 -11.747 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.036 -8.716 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.365 -9.877 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.190 -8.493 1.935 1.00 0.00 H new ATOM 526 N ARG A 57 -0.634 -9.976 -2.064 1.00 0.00 N ATOM 527 CA ARG A 57 -1.473 -9.091 -2.857 1.00 0.00 C ATOM 528 C ARG A 57 -2.337 -9.882 -3.830 1.00 0.00 C ATOM 529 O ARG A 57 -3.435 -9.449 -4.177 1.00 0.00 O ATOM 530 CB ARG A 57 -0.636 -8.065 -3.619 1.00 0.00 C ATOM 531 CG ARG A 57 0.119 -7.098 -2.723 1.00 0.00 C ATOM 532 CD ARG A 57 0.187 -5.710 -3.343 1.00 0.00 C ATOM 533 NE ARG A 57 0.753 -5.729 -4.691 1.00 0.00 N ATOM 534 CZ ARG A 57 0.055 -5.491 -5.803 1.00 0.00 C ATOM 535 NH1 ARG A 57 -1.253 -5.255 -5.744 1.00 0.00 N ATOM 536 NH2 ARG A 57 0.672 -5.504 -6.973 1.00 0.00 N ATOM 0 H ARG A 57 0.366 -9.885 -2.242 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.124 -8.558 -2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.078 -8.592 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.290 -7.497 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.371 -7.041 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.128 -7.471 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.815 -5.281 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.789 -5.060 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 57 1.747 -5.938 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.731 -5.255 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.778 -5.074 -6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.673 -5.695 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.147 -5.323 -7.829 1.00 0.00 H new ATOM 550 N GLU A 58 -1.840 -11.040 -4.254 1.00 0.00 N ATOM 551 CA GLU A 58 -2.580 -11.911 -5.161 1.00 0.00 C ATOM 552 C GLU A 58 -3.927 -12.294 -4.556 1.00 0.00 C ATOM 553 O GLU A 58 -4.979 -12.032 -5.141 1.00 0.00 O ATOM 554 CB GLU A 58 -1.769 -13.172 -5.462 1.00 0.00 C ATOM 555 CG GLU A 58 -2.448 -14.112 -6.443 1.00 0.00 C ATOM 556 CD GLU A 58 -1.750 -15.450 -6.542 1.00 0.00 C ATOM 557 OE1 GLU A 58 -0.746 -15.551 -7.280 1.00 0.00 O ATOM 558 OE2 GLU A 58 -2.201 -16.404 -5.882 1.00 0.00 O ATOM 0 H GLU A 58 -0.924 -11.398 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.755 -11.369 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.798 -12.882 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.583 -13.705 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.482 -14.267 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.475 -13.646 -7.428 1.00 0.00 H new ATOM 565 N LYS A 59 -3.885 -12.896 -3.370 1.00 0.00 N ATOM 566 CA LYS A 59 -5.099 -13.328 -2.685 1.00 0.00 C ATOM 567 C LYS A 59 -6.006 -12.147 -2.369 1.00 0.00 C ATOM 568 O LYS A 59 -7.223 -12.230 -2.519 1.00 0.00 O ATOM 569 CB LYS A 59 -4.752 -14.074 -1.393 1.00 0.00 C ATOM 570 CG LYS A 59 -4.027 -15.401 -1.597 1.00 0.00 C ATOM 571 CD LYS A 59 -4.908 -16.441 -2.282 1.00 0.00 C ATOM 572 CE LYS A 59 -4.751 -16.414 -3.796 1.00 0.00 C ATOM 573 NZ LYS A 59 -5.660 -17.381 -4.466 1.00 0.00 N ATOM 0 H LYS A 59 -3.022 -13.096 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.632 -14.002 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.131 -13.428 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.672 -14.260 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.131 -15.235 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.698 -15.785 -0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.654 -17.433 -1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.951 -16.260 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.956 -15.409 -4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.719 -16.645 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.522 -17.331 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.448 -18.344 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.647 -17.145 -4.237 1.00 0.00 H new ATOM 587 N LEU A 60 -5.406 -11.044 -1.947 1.00 0.00 N ATOM 588 CA LEU A 60 -6.162 -9.849 -1.593 1.00 0.00 C ATOM 589 C LEU A 60 -6.900 -9.285 -2.801 1.00 0.00 C ATOM 590 O LEU A 60 -8.080 -8.955 -2.715 1.00 0.00 O ATOM 591 CB LEU A 60 -5.232 -8.794 -1.004 1.00 0.00 C ATOM 592 CG LEU A 60 -4.558 -9.192 0.306 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.506 -8.171 0.685 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.589 -9.330 1.417 1.00 0.00 C ATOM 0 H LEU A 60 -4.396 -10.950 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.904 -10.128 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.460 -8.561 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.802 -7.879 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.073 -10.158 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.033 -8.467 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.753 -8.116 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.974 -7.194 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.090 -9.614 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.101 -8.378 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.315 -10.096 1.146 1.00 0.00 H new ATOM 606 N SER A 61 -6.203 -9.184 -3.926 1.00 0.00 N ATOM 607 CA SER A 61 -6.806 -8.677 -5.151 1.00 0.00 C ATOM 608 C SER A 61 -7.914 -9.618 -5.617 1.00 0.00 C ATOM 609 O SER A 61 -8.983 -9.176 -6.040 1.00 0.00 O ATOM 610 CB SER A 61 -5.739 -8.517 -6.241 1.00 0.00 C ATOM 611 OG SER A 61 -6.266 -7.891 -7.399 1.00 0.00 O ATOM 0 H SER A 61 -5.221 -9.446 -4.015 1.00 0.00 H new ATOM 0 HA SER A 61 -7.243 -7.698 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.908 -7.927 -5.854 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.339 -9.496 -6.506 1.00 0.00 H new ATOM 0 HG SER A 61 -6.636 -7.016 -7.158 1.00 0.00 H new ATOM 617 N GLU A 62 -7.653 -10.915 -5.505 1.00 0.00 N ATOM 618 CA GLU A 62 -8.617 -11.938 -5.889 1.00 0.00 C ATOM 619 C GLU A 62 -9.919 -11.787 -5.099 1.00 0.00 C ATOM 620 O GLU A 62 -11.013 -11.819 -5.670 1.00 0.00 O ATOM 621 CB GLU A 62 -8.006 -13.325 -5.661 1.00 0.00 C ATOM 622 CG GLU A 62 -8.922 -14.481 -6.026 1.00 0.00 C ATOM 623 CD GLU A 62 -8.247 -15.826 -5.851 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.078 -16.269 -4.695 1.00 0.00 O ATOM 625 OE2 GLU A 62 -7.869 -16.442 -6.867 1.00 0.00 O ATOM 0 H GLU A 62 -6.772 -11.285 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.855 -11.819 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.089 -13.405 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.725 -13.417 -4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.817 -14.443 -5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.247 -14.372 -7.061 1.00 0.00 H new ATOM 632 N LEU A 63 -9.796 -11.598 -3.790 1.00 0.00 N ATOM 633 CA LEU A 63 -10.961 -11.486 -2.925 1.00 0.00 C ATOM 634 C LEU A 63 -11.630 -10.123 -3.072 1.00 0.00 C ATOM 635 O LEU A 63 -12.847 -10.004 -2.932 1.00 0.00 O ATOM 636 CB LEU A 63 -10.570 -11.726 -1.464 1.00 0.00 C ATOM 637 CG LEU A 63 -9.895 -13.071 -1.178 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.650 -13.236 0.312 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.733 -14.224 -1.714 1.00 0.00 C ATOM 0 H LEU A 63 -8.901 -11.519 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.676 -12.250 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.898 -10.927 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.466 -11.650 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.933 -13.085 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.170 -14.197 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.003 -12.433 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.601 -13.197 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.233 -15.168 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.712 -14.215 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.854 -14.115 -2.792 1.00 0.00 H new ATOM 651 N ALA A 64 -10.835 -9.099 -3.358 1.00 0.00 N ATOM 652 CA ALA A 64 -11.359 -7.749 -3.537 1.00 0.00 C ATOM 653 C ALA A 64 -12.226 -7.666 -4.787 1.00 0.00 C ATOM 654 O ALA A 64 -13.333 -7.126 -4.752 1.00 0.00 O ATOM 655 CB ALA A 64 -10.224 -6.740 -3.606 1.00 0.00 C ATOM 0 H ALA A 64 -9.824 -9.177 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.981 -7.509 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.635 -5.739 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.649 -6.776 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.574 -6.981 -4.447 1.00 0.00 H new ATOM 661 N ASP A 65 -11.722 -8.215 -5.890 1.00 0.00 N ATOM 662 CA ASP A 65 -12.473 -8.248 -7.143 1.00 0.00 C ATOM 663 C ASP A 65 -13.684 -9.165 -7.025 1.00 0.00 C ATOM 664 O ASP A 65 -14.679 -8.987 -7.729 1.00 0.00 O ATOM 665 CB ASP A 65 -11.585 -8.699 -8.309 1.00 0.00 C ATOM 666 CG ASP A 65 -10.775 -7.561 -8.908 1.00 0.00 C ATOM 667 OD1 ASP A 65 -11.322 -6.822 -9.752 1.00 0.00 O ATOM 668 OD2 ASP A 65 -9.587 -7.411 -8.550 1.00 0.00 O ATOM 0 H ASP A 65 -10.797 -8.643 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.819 -7.234 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.906 -9.478 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.209 -9.142 -9.085 1.00 0.00 H new ATOM 673 N ALA A 66 -13.595 -10.150 -6.137 1.00 0.00 N ATOM 674 CA ALA A 66 -14.719 -11.038 -5.868 1.00 0.00 C ATOM 675 C ALA A 66 -15.827 -10.293 -5.127 1.00 0.00 C ATOM 676 O ALA A 66 -16.991 -10.337 -5.527 1.00 0.00 O ATOM 677 CB ALA A 66 -14.264 -12.250 -5.069 1.00 0.00 C ATOM 0 H ALA A 66 -12.757 -10.353 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.117 -11.385 -6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.117 -12.901 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.510 -12.797 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.839 -11.922 -4.121 1.00 0.00 H new ATOM 683 N LYS A 67 -15.453 -9.606 -4.050 1.00 0.00 N ATOM 684 CA LYS A 67 -16.399 -8.805 -3.280 1.00 0.00 C ATOM 685 C LYS A 67 -16.991 -7.687 -4.133 1.00 0.00 C ATOM 686 O LYS A 67 -18.210 -7.509 -4.184 1.00 0.00 O ATOM 687 CB LYS A 67 -15.711 -8.209 -2.048 1.00 0.00 C ATOM 688 CG LYS A 67 -15.404 -9.229 -0.963 1.00 0.00 C ATOM 689 CD LYS A 67 -16.679 -9.781 -0.348 1.00 0.00 C ATOM 690 CE LYS A 67 -16.389 -10.748 0.788 1.00 0.00 C ATOM 691 NZ LYS A 67 -15.676 -11.968 0.325 1.00 0.00 N ATOM 0 H LYS A 67 -14.499 -9.589 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.209 -9.459 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.782 -7.731 -2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.347 -7.428 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.818 -10.046 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.794 -8.766 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.289 -8.957 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.262 -10.288 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.788 -10.245 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.326 -11.037 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.591 -12.641 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.211 -12.409 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.727 -11.708 -0.013 1.00 0.00 H new ATOM 705 N GLY A 68 -16.124 -6.943 -4.805 1.00 0.00 N ATOM 706 CA GLY A 68 -16.574 -5.844 -5.634 1.00 0.00 C ATOM 707 C GLY A 68 -15.927 -4.533 -5.244 1.00 0.00 C ATOM 708 O GLY A 68 -16.613 -3.529 -5.029 1.00 0.00 O ATOM 0 H GLY A 68 -15.114 -7.082 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.349 -6.062 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.657 -5.751 -5.555 1.00 0.00 H new ATOM 712 N GLY A 69 -14.608 -4.546 -5.136 1.00 0.00 N ATOM 713 CA GLY A 69 -13.872 -3.349 -4.798 1.00 0.00 C ATOM 714 C GLY A 69 -12.578 -3.258 -5.575 1.00 0.00 C ATOM 715 O GLY A 69 -11.849 -4.243 -5.688 1.00 0.00 O ATOM 0 H GLY A 69 -14.030 -5.374 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.485 -2.472 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.658 -3.342 -3.729 1.00 0.00 H new ATOM 719 N LYS A 70 -12.290 -2.083 -6.108 1.00 0.00 N ATOM 720 CA LYS A 70 -11.122 -1.899 -6.959 1.00 0.00 C ATOM 721 C LYS A 70 -9.888 -1.535 -6.140 1.00 0.00 C ATOM 722 O LYS A 70 -8.757 -1.701 -6.600 1.00 0.00 O ATOM 723 CB LYS A 70 -11.387 -0.809 -7.997 1.00 0.00 C ATOM 724 CG LYS A 70 -12.567 -1.101 -8.909 1.00 0.00 C ATOM 725 CD LYS A 70 -12.765 0.012 -9.924 1.00 0.00 C ATOM 726 CE LYS A 70 -13.922 -0.282 -10.863 1.00 0.00 C ATOM 727 NZ LYS A 70 -14.061 0.764 -11.910 1.00 0.00 N ATOM 0 H LYS A 70 -12.848 -1.241 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.932 -2.845 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.564 0.135 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.493 -0.677 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.404 -2.045 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.471 -1.218 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.949 0.951 -9.403 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.851 0.143 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.769 -1.252 -11.336 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.847 -0.349 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.861 0.529 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.232 1.686 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.187 0.810 -12.472 1.00 0.00 H new ATOM 741 N TYR A 71 -10.103 -1.044 -4.928 1.00 0.00 N ATOM 742 CA TYR A 71 -9.006 -0.566 -4.101 1.00 0.00 C ATOM 743 C TYR A 71 -9.083 -1.189 -2.714 1.00 0.00 C ATOM 744 O TYR A 71 -10.133 -1.181 -2.082 1.00 0.00 O ATOM 745 CB TYR A 71 -9.053 0.965 -4.001 1.00 0.00 C ATOM 746 CG TYR A 71 -9.231 1.651 -5.340 1.00 0.00 C ATOM 747 CD1 TYR A 71 -8.167 1.787 -6.224 1.00 0.00 C ATOM 748 CD2 TYR A 71 -10.473 2.142 -5.729 1.00 0.00 C ATOM 749 CE1 TYR A 71 -8.335 2.397 -7.455 1.00 0.00 C ATOM 750 CE2 TYR A 71 -10.650 2.747 -6.959 1.00 0.00 C ATOM 751 CZ TYR A 71 -9.578 2.873 -7.818 1.00 0.00 C ATOM 752 OH TYR A 71 -9.752 3.469 -9.049 1.00 0.00 O ATOM 0 H TYR A 71 -11.024 -0.967 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.063 -0.859 -4.561 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.872 1.254 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -8.132 1.320 -3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.194 1.411 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.314 2.049 -5.058 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.497 2.500 -8.128 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.622 3.119 -7.246 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.686 3.748 -9.148 1.00 0.00 H new ATOM 762 N TYR A 72 -7.980 -1.743 -2.246 1.00 0.00 N ATOM 763 CA TYR A 72 -7.948 -2.359 -0.927 1.00 0.00 C ATOM 764 C TYR A 72 -6.778 -1.819 -0.117 1.00 0.00 C ATOM 765 O TYR A 72 -5.901 -1.144 -0.655 1.00 0.00 O ATOM 766 CB TYR A 72 -7.867 -3.890 -1.037 1.00 0.00 C ATOM 767 CG TYR A 72 -6.623 -4.411 -1.730 1.00 0.00 C ATOM 768 CD1 TYR A 72 -6.587 -4.572 -3.109 1.00 0.00 C ATOM 769 CD2 TYR A 72 -5.488 -4.751 -1.003 1.00 0.00 C ATOM 770 CE1 TYR A 72 -5.457 -5.052 -3.743 1.00 0.00 C ATOM 771 CE2 TYR A 72 -4.354 -5.231 -1.630 1.00 0.00 C ATOM 772 CZ TYR A 72 -4.344 -5.378 -3.000 1.00 0.00 C ATOM 773 OH TYR A 72 -3.216 -5.859 -3.629 1.00 0.00 O ATOM 0 H TYR A 72 -7.097 -1.781 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.874 -2.106 -0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.913 -4.316 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.744 -4.249 -1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.457 -4.318 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.493 -4.638 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.447 -5.171 -4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.481 -5.489 -1.050 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.442 -6.133 -4.542 1.00 0.00 H new ATOM 783 N HIS A 73 -6.777 -2.104 1.177 1.00 0.00 N ATOM 784 CA HIS A 73 -5.689 -1.685 2.050 1.00 0.00 C ATOM 785 C HIS A 73 -5.490 -2.688 3.177 1.00 0.00 C ATOM 786 O HIS A 73 -6.424 -2.980 3.924 1.00 0.00 O ATOM 787 CB HIS A 73 -5.964 -0.293 2.632 1.00 0.00 C ATOM 788 CG HIS A 73 -4.916 0.168 3.602 1.00 0.00 C ATOM 789 ND1 HIS A 73 -3.673 0.616 3.211 1.00 0.00 N ATOM 790 CD2 HIS A 73 -4.925 0.227 4.954 1.00 0.00 C ATOM 791 CE1 HIS A 73 -2.962 0.925 4.280 1.00 0.00 C ATOM 792 NE2 HIS A 73 -3.700 0.700 5.348 1.00 0.00 N ATOM 0 H HIS A 73 -7.518 -2.624 1.647 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.778 -1.640 1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.034 0.426 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.932 -0.302 3.133 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.352 0.696 2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.744 -0.047 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.949 1.298 4.279 1.00 0.00 H new ATOM 801 N ILE A 74 -4.274 -3.202 3.295 1.00 0.00 N ATOM 802 CA ILE A 74 -3.929 -4.119 4.369 1.00 0.00 C ATOM 803 C ILE A 74 -3.799 -3.356 5.678 1.00 0.00 C ATOM 804 O ILE A 74 -2.921 -2.504 5.826 1.00 0.00 O ATOM 805 CB ILE A 74 -2.601 -4.851 4.084 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.638 -5.501 2.701 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.331 -5.899 5.157 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.313 -6.092 2.274 1.00 0.00 C ATOM 0 H ILE A 74 -3.506 -2.997 2.655 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.726 -4.859 4.440 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.792 -4.121 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.394 -6.286 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.948 -4.757 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.391 -6.406 4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.267 -5.414 6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.142 -6.627 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.415 -6.536 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.557 -5.307 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.011 -6.860 2.986 1.00 0.00 H new ATOM 820 N ILE A 75 -4.682 -3.646 6.618 1.00 0.00 N ATOM 821 CA ILE A 75 -4.665 -2.963 7.900 1.00 0.00 C ATOM 822 C ILE A 75 -4.005 -3.824 8.968 1.00 0.00 C ATOM 823 O ILE A 75 -3.511 -3.311 9.972 1.00 0.00 O ATOM 824 CB ILE A 75 -6.085 -2.566 8.361 1.00 0.00 C ATOM 825 CG1 ILE A 75 -6.992 -3.797 8.450 1.00 0.00 C ATOM 826 CG2 ILE A 75 -6.673 -1.531 7.413 1.00 0.00 C ATOM 827 CD1 ILE A 75 -8.370 -3.503 9.005 1.00 0.00 C ATOM 0 H ILE A 75 -5.417 -4.347 6.519 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.083 -2.052 7.763 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.017 -2.127 9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.096 -4.232 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.510 -4.547 9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.674 -1.258 7.747 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.039 -0.644 7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.727 -1.948 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.953 -4.423 9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.277 -3.097 10.012 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.873 -2.777 8.366 1.00 0.00 H new ATOM 839 N ALA A 76 -3.985 -5.131 8.743 1.00 0.00 N ATOM 840 CA ALA A 76 -3.399 -6.052 9.701 1.00 0.00 C ATOM 841 C ALA A 76 -2.908 -7.323 9.022 1.00 0.00 C ATOM 842 O ALA A 76 -3.689 -8.226 8.734 1.00 0.00 O ATOM 843 CB ALA A 76 -4.405 -6.394 10.791 1.00 0.00 C ATOM 0 H ALA A 76 -4.367 -5.574 7.907 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.539 -5.559 10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.951 -7.085 11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.702 -5.483 11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.283 -6.859 10.343 1.00 0.00 H new ATOM 849 N ALA A 77 -1.616 -7.379 8.746 1.00 0.00 N ATOM 850 CA ALA A 77 -0.999 -8.591 8.232 1.00 0.00 C ATOM 851 C ALA A 77 -0.277 -9.300 9.365 1.00 0.00 C ATOM 852 O ALA A 77 0.911 -9.083 9.596 1.00 0.00 O ATOM 853 CB ALA A 77 -0.042 -8.275 7.090 1.00 0.00 C ATOM 0 H ALA A 77 -0.972 -6.597 8.869 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.774 -9.246 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.406 -9.199 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.589 -7.791 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.743 -7.608 7.447 1.00 0.00 H new ATOM 859 N ARG A 78 -1.009 -10.127 10.090 1.00 0.00 N ATOM 860 CA ARG A 78 -0.487 -10.735 11.301 1.00 0.00 C ATOM 861 C ARG A 78 -0.174 -12.206 11.092 1.00 0.00 C ATOM 862 O ARG A 78 -0.816 -12.891 10.294 1.00 0.00 O ATOM 863 CB ARG A 78 -1.479 -10.571 12.456 1.00 0.00 C ATOM 864 CG ARG A 78 -2.857 -11.146 12.170 1.00 0.00 C ATOM 865 CD ARG A 78 -3.780 -11.014 13.369 1.00 0.00 C ATOM 866 NE ARG A 78 -3.948 -9.622 13.788 1.00 0.00 N ATOM 867 CZ ARG A 78 -4.976 -9.184 14.515 1.00 0.00 C ATOM 868 NH1 ARG A 78 -5.935 -10.026 14.888 1.00 0.00 N ATOM 869 NH2 ARG A 78 -5.045 -7.906 14.868 1.00 0.00 N ATOM 0 H ARG A 78 -1.967 -10.393 9.861 1.00 0.00 H new ATOM 0 HA ARG A 78 0.441 -10.222 11.553 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.071 -11.055 13.344 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.579 -9.511 12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.296 -10.632 11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.763 -12.197 11.897 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.754 -11.438 13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.379 -11.596 14.199 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.237 -8.947 13.507 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.885 -11.008 14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.721 -9.690 15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.311 -7.258 14.583 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.832 -7.572 15.424 1.00 0.00 H new ATOM 883 N GLU A 79 0.825 -12.681 11.810 1.00 0.00 N ATOM 884 CA GLU A 79 1.190 -14.082 11.770 1.00 0.00 C ATOM 885 C GLU A 79 0.600 -14.795 12.976 1.00 0.00 C ATOM 886 O GLU A 79 0.829 -14.396 14.120 1.00 0.00 O ATOM 887 CB GLU A 79 2.709 -14.233 11.745 1.00 0.00 C ATOM 888 CG GLU A 79 3.177 -15.668 11.588 1.00 0.00 C ATOM 889 CD GLU A 79 4.677 -15.762 11.436 1.00 0.00 C ATOM 890 OE1 GLU A 79 5.167 -15.664 10.293 1.00 0.00 O ATOM 891 OE2 GLU A 79 5.377 -15.915 12.457 1.00 0.00 O ATOM 0 H GLU A 79 1.401 -12.113 12.431 1.00 0.00 H new ATOM 0 HA GLU A 79 0.790 -14.533 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.111 -13.637 10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.121 -13.825 12.668 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.864 -16.248 12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.696 -16.113 10.717 1.00 0.00 H new ATOM 898 N HIS A 80 -0.160 -15.841 12.713 1.00 0.00 N ATOM 899 CA HIS A 80 -0.858 -16.574 13.755 1.00 0.00 C ATOM 900 C HIS A 80 -0.157 -17.910 13.988 1.00 0.00 C ATOM 901 O HIS A 80 -0.770 -18.970 13.885 1.00 0.00 O ATOM 902 CB HIS A 80 -2.315 -16.802 13.324 1.00 0.00 C ATOM 903 CG HIS A 80 -3.265 -17.102 14.446 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.268 -16.239 14.819 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.386 -18.182 15.255 1.00 0.00 C ATOM 906 CE1 HIS A 80 -4.963 -16.769 15.803 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.452 -17.952 16.090 1.00 0.00 N ATOM 0 H HIS A 80 -0.312 -16.207 11.773 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.849 -16.004 14.684 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.666 -15.915 12.797 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.343 -17.627 12.612 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -4.446 -15.327 14.398 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.760 -19.062 15.245 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.810 -16.312 16.294 1.00 0.00 H new ATOM 916 N GLY A 81 1.137 -17.850 14.270 1.00 0.00 N ATOM 917 CA GLY A 81 1.905 -19.065 14.431 1.00 0.00 C ATOM 918 C GLY A 81 2.178 -19.720 13.093 1.00 0.00 C ATOM 919 O GLY A 81 2.867 -19.148 12.251 1.00 0.00 O ATOM 0 H GLY A 81 1.665 -16.986 14.389 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.849 -18.839 14.928 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.364 -19.758 15.075 1.00 0.00 H new ATOM 923 N PRO A 82 1.637 -20.928 12.866 1.00 0.00 N ATOM 924 CA PRO A 82 1.747 -21.606 11.575 1.00 0.00 C ATOM 925 C PRO A 82 0.753 -21.051 10.558 1.00 0.00 C ATOM 926 O PRO A 82 0.880 -21.287 9.358 1.00 0.00 O ATOM 927 CB PRO A 82 1.413 -23.056 11.917 1.00 0.00 C ATOM 928 CG PRO A 82 0.491 -22.967 13.085 1.00 0.00 C ATOM 929 CD PRO A 82 0.896 -21.736 13.854 1.00 0.00 C ATOM 0 HA PRO A 82 2.728 -21.479 11.118 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.939 -23.562 11.076 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.311 -23.622 12.164 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.546 -22.896 12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.568 -23.857 13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.027 -21.201 14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.519 -21.988 14.712 1.00 0.00 H new ATOM 937 N ASN A 83 -0.234 -20.314 11.050 1.00 0.00 N ATOM 938 CA ASN A 83 -1.241 -19.712 10.191 1.00 0.00 C ATOM 939 C ASN A 83 -0.904 -18.252 9.920 1.00 0.00 C ATOM 940 O ASN A 83 -0.165 -17.624 10.677 1.00 0.00 O ATOM 941 CB ASN A 83 -2.639 -19.814 10.820 1.00 0.00 C ATOM 942 CG ASN A 83 -3.225 -21.214 10.740 1.00 0.00 C ATOM 943 OD1 ASN A 83 -3.857 -21.576 9.747 1.00 0.00 O ATOM 944 ND2 ASN A 83 -3.052 -22.000 11.792 1.00 0.00 N ATOM 0 H ASN A 83 -0.358 -20.119 12.044 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.245 -20.260 9.249 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.585 -19.508 11.865 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.309 -19.116 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.448 -22.940 11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.522 -21.666 12.597 1.00 0.00 H new ATOM 951 N PHE A 84 -1.442 -17.720 8.838 1.00 0.00 N ATOM 952 CA PHE A 84 -1.232 -16.325 8.489 1.00 0.00 C ATOM 953 C PHE A 84 -2.577 -15.641 8.295 1.00 0.00 C ATOM 954 O PHE A 84 -3.469 -16.195 7.649 1.00 0.00 O ATOM 955 CB PHE A 84 -0.381 -16.212 7.220 1.00 0.00 C ATOM 956 CG PHE A 84 0.011 -14.800 6.880 1.00 0.00 C ATOM 957 CD1 PHE A 84 1.029 -14.165 7.574 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.637 -14.110 5.868 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.391 -12.868 7.265 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.279 -12.813 5.557 1.00 0.00 C ATOM 961 CZ PHE A 84 0.736 -12.190 6.255 1.00 0.00 C ATOM 0 H PHE A 84 -2.030 -18.235 8.183 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.696 -15.831 9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.521 -16.811 7.344 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.934 -16.638 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.545 -14.690 8.365 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.431 -14.592 5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.186 -12.384 7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.793 -12.286 4.767 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.017 -11.176 6.012 1.00 0.00 H new ATOM 971 N GLU A 85 -2.727 -14.451 8.863 1.00 0.00 N ATOM 972 CA GLU A 85 -3.986 -13.727 8.782 1.00 0.00 C ATOM 973 C GLU A 85 -3.769 -12.346 8.181 1.00 0.00 C ATOM 974 O GLU A 85 -3.195 -11.457 8.816 1.00 0.00 O ATOM 975 CB GLU A 85 -4.617 -13.596 10.173 1.00 0.00 C ATOM 976 CG GLU A 85 -4.755 -14.920 10.902 1.00 0.00 C ATOM 977 CD GLU A 85 -5.425 -14.779 12.253 1.00 0.00 C ATOM 978 OE1 GLU A 85 -4.806 -14.212 13.180 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.568 -15.250 12.401 1.00 0.00 O ATOM 0 H GLU A 85 -1.994 -13.969 9.383 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.662 -14.289 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.011 -12.920 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.602 -13.140 10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.331 -15.610 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.767 -15.361 11.036 1.00 0.00 H new ATOM 986 N ALA A 86 -4.223 -12.170 6.950 1.00 0.00 N ATOM 987 CA ALA A 86 -4.100 -10.895 6.268 1.00 0.00 C ATOM 988 C ALA A 86 -5.443 -10.183 6.220 1.00 0.00 C ATOM 989 O ALA A 86 -6.323 -10.550 5.443 1.00 0.00 O ATOM 990 CB ALA A 86 -3.558 -11.094 4.862 1.00 0.00 C ATOM 0 H ALA A 86 -4.681 -12.898 6.402 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.399 -10.274 6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.472 -10.128 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.576 -11.564 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.237 -11.733 4.297 1.00 0.00 H new ATOM 996 N VAL A 87 -5.602 -9.184 7.069 1.00 0.00 N ATOM 997 CA VAL A 87 -6.835 -8.420 7.129 1.00 0.00 C ATOM 998 C VAL A 87 -6.708 -7.140 6.312 1.00 0.00 C ATOM 999 O VAL A 87 -5.830 -6.307 6.566 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.213 -8.066 8.584 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -8.563 -7.364 8.637 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.224 -9.316 9.453 1.00 0.00 C ATOM 0 H VAL A 87 -4.887 -8.881 7.731 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.625 -9.043 6.710 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.459 -7.382 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.808 -7.124 9.672 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.518 -6.445 8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.330 -8.019 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.492 -9.047 10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -7.953 -10.025 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.234 -9.772 9.446 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.580 -6.992 5.329 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.577 -5.827 4.463 1.00 0.00 C ATOM 1014 C ALA A 88 -8.998 -5.347 4.227 1.00 0.00 C ATOM 1015 O ALA A 88 -9.928 -6.147 4.182 1.00 0.00 O ATOM 1016 CB ALA A 88 -6.898 -6.154 3.140 1.00 0.00 C ATOM 0 H ALA A 88 -8.307 -7.673 5.110 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.017 -5.029 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.903 -5.271 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.869 -6.462 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.435 -6.963 2.646 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.177 -4.048 4.086 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.504 -3.508 3.858 1.00 0.00 C ATOM 1024 C GLU A 89 -10.691 -3.164 2.389 1.00 0.00 C ATOM 1025 O GLU A 89 -9.741 -2.775 1.707 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.757 -2.289 4.741 1.00 0.00 C ATOM 1027 CG GLU A 89 -10.601 -2.589 6.222 1.00 0.00 C ATOM 1028 CD GLU A 89 -11.579 -1.819 7.080 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -11.274 -0.670 7.461 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -12.666 -2.362 7.373 1.00 0.00 O ATOM 0 H GLU A 89 -8.431 -3.354 4.125 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.235 -4.270 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.065 -1.494 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.764 -1.915 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.741 -3.657 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.584 -2.348 6.532 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.916 -3.323 1.913 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.224 -3.155 0.503 1.00 0.00 C ATOM 1039 C VAL A 90 -12.940 -1.833 0.254 1.00 0.00 C ATOM 1040 O VAL A 90 -13.986 -1.552 0.847 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.102 -4.313 -0.015 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.382 -4.162 -1.502 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.445 -5.653 0.271 1.00 0.00 C ATOM 0 H VAL A 90 -12.720 -3.571 2.490 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.277 -3.156 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.054 -4.276 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.003 -4.991 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.904 -3.222 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.441 -4.165 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.080 -6.457 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.476 -5.696 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.307 -5.769 1.346 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.367 -1.031 -0.627 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.934 0.252 -0.995 1.00 0.00 C ATOM 1055 C TYR A 91 -13.169 0.308 -2.499 1.00 0.00 C ATOM 1056 O TYR A 91 -12.530 -0.413 -3.269 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.999 1.394 -0.581 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.832 1.548 0.915 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -10.934 0.758 1.624 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -12.570 2.492 1.617 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -10.781 0.903 2.988 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -12.421 2.643 2.980 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.526 1.846 3.662 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.377 1.995 5.021 1.00 0.00 O ATOM 0 H TYR A 91 -11.495 -1.253 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.885 0.368 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.020 1.227 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.382 2.329 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -10.347 0.019 1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.272 3.118 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.081 0.280 3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.003 3.382 3.511 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.975 2.703 5.340 1.00 0.00 H new ATOM 1074 N ASN A 92 -14.096 1.146 -2.917 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.341 1.351 -4.335 1.00 0.00 C ATOM 1076 C ASN A 92 -14.571 2.834 -4.599 1.00 0.00 C ATOM 1077 O ASN A 92 -14.697 3.622 -3.662 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.547 0.523 -4.797 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.468 0.134 -6.267 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -14.882 0.842 -7.085 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -16.048 -1.005 -6.609 1.00 0.00 N ATOM 0 H ASN A 92 -14.692 1.696 -2.299 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.471 1.020 -4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.616 -0.380 -4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.460 1.093 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.018 -1.322 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.525 -1.566 -5.904 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.611 3.209 -5.864 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.803 4.601 -6.244 1.00 0.00 C ATOM 1090 C ASP A 93 -16.284 4.962 -6.202 1.00 0.00 C ATOM 1091 O ASP A 93 -17.145 4.096 -6.373 1.00 0.00 O ATOM 1092 CB ASP A 93 -14.232 4.845 -7.645 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.498 6.247 -8.151 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -13.913 7.205 -7.605 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -15.290 6.400 -9.105 1.00 0.00 O ATOM 0 H ASP A 93 -14.513 2.568 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.274 5.237 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.157 4.667 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.665 4.125 -8.339 1.00 0.00 H new ATOM 1100 N ALA A 94 -16.578 6.237 -5.969 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.954 6.715 -5.916 1.00 0.00 C ATOM 1102 C ALA A 94 -18.545 6.846 -7.320 1.00 0.00 C ATOM 1103 O ALA A 94 -19.103 7.886 -7.681 1.00 0.00 O ATOM 1104 CB ALA A 94 -18.017 8.048 -5.182 1.00 0.00 C ATOM 0 H ALA A 94 -15.877 6.961 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.550 5.984 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -19.049 8.396 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -17.643 7.922 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -17.404 8.781 -5.706 1.00 0.00 H new ATOM 1290 N ALA B 22 8.202 -1.567 -8.516 1.00 0.00 N ATOM 1291 CA ALA B 22 7.960 -1.039 -7.156 1.00 0.00 C ATOM 1292 C ALA B 22 6.484 -1.142 -6.796 1.00 0.00 C ATOM 1293 O ALA B 22 5.612 -0.832 -7.608 1.00 0.00 O ATOM 1294 CB ALA B 22 8.429 0.404 -7.052 1.00 0.00 C ATOM 0 HA ALA B 22 8.531 -1.641 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.243 0.775 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.496 0.456 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA B 22 7.884 1.016 -7.771 1.00 0.00 H new ATOM 1302 N GLU B 23 6.209 -1.587 -5.576 1.00 0.00 N ATOM 1303 CA GLU B 23 4.841 -1.743 -5.100 1.00 0.00 C ATOM 1304 C GLU B 23 4.684 -1.113 -3.723 1.00 0.00 C ATOM 1305 O GLU B 23 5.672 -0.915 -3.012 1.00 0.00 O ATOM 1306 CB GLU B 23 4.471 -3.225 -5.028 1.00 0.00 C ATOM 1307 CG GLU B 23 4.510 -3.934 -6.369 1.00 0.00 C ATOM 1308 CD GLU B 23 4.326 -5.428 -6.232 1.00 0.00 C ATOM 1309 OE1 GLU B 23 3.175 -5.879 -6.068 1.00 0.00 O ATOM 1310 OE2 GLU B 23 5.332 -6.161 -6.284 1.00 0.00 O ATOM 0 H GLU B 23 6.921 -1.848 -4.894 1.00 0.00 H new ATOM 0 HA GLU B 23 4.175 -1.240 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU B 23 5.154 -3.727 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU B 23 3.470 -3.320 -4.607 1.00 0.00 H new ATOM 0 HG2 GLU B 23 3.729 -3.531 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU B 23 5.463 -3.731 -6.858 1.00 0.00 H new ATOM 1317 N GLN B 24 3.453 -0.793 -3.346 1.00 0.00 N ATOM 1318 CA GLN B 24 3.195 -0.262 -2.017 1.00 0.00 C ATOM 1319 C GLN B 24 2.672 -1.350 -1.092 1.00 0.00 C ATOM 1320 O GLN B 24 1.732 -2.074 -1.430 1.00 0.00 O ATOM 1321 CB GLN B 24 2.206 0.910 -2.041 1.00 0.00 C ATOM 1322 CG GLN B 24 1.923 1.453 -0.644 1.00 0.00 C ATOM 1323 CD GLN B 24 1.069 2.706 -0.613 1.00 0.00 C ATOM 1324 OE1 GLN B 24 1.225 3.538 0.282 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.155 2.848 -1.561 1.00 0.00 N ATOM 0 H GLN B 24 2.626 -0.891 -3.936 1.00 0.00 H new ATOM 0 HA GLN B 24 4.148 0.110 -1.640 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.607 1.709 -2.665 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.272 0.586 -2.499 1.00 0.00 H new ATOM 0 HG2 GLN B 24 1.427 0.677 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN B 24 2.872 1.664 -0.152 1.00 0.00 H new ATOM 0 HE21 GLN B 24 0.057 2.137 -2.285 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.451 3.669 -1.567 1.00 0.00 H new ATOM 1334 N VAL B 25 3.306 -1.458 0.062 1.00 0.00 N ATOM 1335 CA VAL B 25 2.868 -2.348 1.126 1.00 0.00 C ATOM 1336 C VAL B 25 2.859 -1.573 2.440 1.00 0.00 C ATOM 1337 O VAL B 25 3.394 -0.462 2.503 1.00 0.00 O ATOM 1338 CB VAL B 25 3.774 -3.595 1.249 1.00 0.00 C ATOM 1339 CG1 VAL B 25 3.514 -4.565 0.107 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.242 -3.193 1.277 1.00 0.00 C ATOM 0 H VAL B 25 4.146 -0.927 0.290 1.00 0.00 H new ATOM 0 HA VAL B 25 1.866 -2.704 0.888 1.00 0.00 H new ATOM 0 HB VAL B 25 3.534 -4.095 2.187 1.00 0.00 H new ATOM 0 HG11 VAL B 25 4.162 -5.435 0.214 1.00 0.00 H new ATOM 0 HG12 VAL B 25 2.472 -4.884 0.131 1.00 0.00 H new ATOM 0 HG13 VAL B 25 3.721 -4.072 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL B 25 5.862 -4.085 1.364 1.00 0.00 H new ATOM 0 HG22 VAL B 25 5.492 -2.665 0.357 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.424 -2.540 2.131 1.00 0.00 H new ATOM 1350 N SER B 26 2.262 -2.129 3.480 1.00 0.00 N ATOM 1351 CA SER B 26 2.128 -1.403 4.724 1.00 0.00 C ATOM 1352 C SER B 26 3.151 -1.890 5.746 1.00 0.00 C ATOM 1353 O SER B 26 3.869 -2.869 5.523 1.00 0.00 O ATOM 1354 CB SER B 26 0.701 -1.528 5.263 1.00 0.00 C ATOM 1355 OG SER B 26 0.479 -0.640 6.351 1.00 0.00 O ATOM 0 H SER B 26 1.868 -3.070 3.486 1.00 0.00 H new ATOM 0 HA SER B 26 2.326 -0.348 4.535 1.00 0.00 H new ATOM 0 HB2 SER B 26 -0.011 -1.314 4.466 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.520 -2.553 5.585 1.00 0.00 H new ATOM 0 HG SER B 26 0.003 -1.111 7.066 1.00 0.00 H new ATOM 1361 N LYS B 27 3.197 -1.214 6.884 1.00 0.00 N ATOM 1362 CA LYS B 27 4.234 -1.444 7.880 1.00 0.00 C ATOM 1363 C LYS B 27 4.040 -2.792 8.584 1.00 0.00 C ATOM 1364 O LYS B 27 4.871 -3.205 9.393 1.00 0.00 O ATOM 1365 CB LYS B 27 4.239 -0.289 8.888 1.00 0.00 C ATOM 1366 CG LYS B 27 5.524 -0.168 9.698 1.00 0.00 C ATOM 1367 CD LYS B 27 5.526 1.095 10.547 1.00 0.00 C ATOM 1368 CE LYS B 27 5.553 2.354 9.687 1.00 0.00 C ATOM 1369 NZ LYS B 27 6.884 2.580 9.058 1.00 0.00 N ATOM 0 H LYS B 27 2.521 -0.495 7.143 1.00 0.00 H new ATOM 0 HA LYS B 27 5.201 -1.481 7.379 1.00 0.00 H new ATOM 0 HB2 LYS B 27 4.072 0.646 8.353 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.402 -0.418 9.574 1.00 0.00 H new ATOM 0 HG2 LYS B 27 5.635 -1.041 10.341 1.00 0.00 H new ATOM 0 HG3 LYS B 27 6.381 -0.157 9.025 1.00 0.00 H new ATOM 0 HD2 LYS B 27 4.640 1.108 11.182 1.00 0.00 H new ATOM 0 HD3 LYS B 27 6.393 1.087 11.208 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.794 2.276 8.908 1.00 0.00 H new ATOM 0 HE3 LYS B 27 5.292 3.216 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 6.854 3.446 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 7.606 2.681 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 7.123 1.770 8.451 1.00 0.00 H new ATOM 1383 N GLN B 28 2.950 -3.484 8.258 1.00 0.00 N ATOM 1384 CA GLN B 28 2.701 -4.808 8.813 1.00 0.00 C ATOM 1385 C GLN B 28 3.478 -5.851 8.021 1.00 0.00 C ATOM 1386 O GLN B 28 4.030 -6.797 8.582 1.00 0.00 O ATOM 1387 CB GLN B 28 1.209 -5.157 8.797 1.00 0.00 C ATOM 1388 CG GLN B 28 0.312 -4.097 9.417 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.279 -3.156 8.385 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -0.528 -1.984 8.664 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -0.501 -3.658 7.181 1.00 0.00 N ATOM 0 H GLN B 28 2.231 -3.151 7.616 1.00 0.00 H new ATOM 0 HA GLN B 28 3.034 -4.803 9.851 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.897 -5.322 7.766 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.062 -6.097 9.329 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.496 -4.584 9.964 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.886 -3.520 10.143 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -0.282 -4.635 6.987 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -0.892 -3.068 6.446 1.00 0.00 H new ATOM 1400 N GLU B 29 3.525 -5.670 6.707 1.00 0.00 N ATOM 1401 CA GLU B 29 4.266 -6.576 5.849 1.00 0.00 C ATOM 1402 C GLU B 29 5.761 -6.378 6.062 1.00 0.00 C ATOM 1403 O GLU B 29 6.534 -7.337 6.076 1.00 0.00 O ATOM 1404 CB GLU B 29 3.909 -6.358 4.374 1.00 0.00 C ATOM 1405 CG GLU B 29 2.418 -6.453 4.077 1.00 0.00 C ATOM 1406 CD GLU B 29 1.716 -5.109 4.135 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.536 -4.566 5.244 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.349 -4.586 3.067 1.00 0.00 O ATOM 0 H GLU B 29 3.060 -4.906 6.217 1.00 0.00 H new ATOM 0 HA GLU B 29 3.994 -7.598 6.112 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.269 -5.377 4.065 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.437 -7.096 3.770 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.277 -6.888 3.088 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.953 -7.131 4.793 1.00 0.00 H new ATOM 1415 N ILE B 30 6.151 -5.122 6.252 1.00 0.00 N ATOM 1416 CA ILE B 30 7.547 -4.773 6.497 1.00 0.00 C ATOM 1417 C ILE B 30 8.083 -5.462 7.750 1.00 0.00 C ATOM 1418 O ILE B 30 9.200 -5.976 7.750 1.00 0.00 O ATOM 1419 CB ILE B 30 7.739 -3.238 6.616 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.878 -2.603 5.230 1.00 0.00 C ATOM 1421 CG2 ILE B 30 8.952 -2.889 7.471 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.635 -2.677 4.378 1.00 0.00 C ATOM 0 H ILE B 30 5.516 -4.324 6.241 1.00 0.00 H new ATOM 0 HA ILE B 30 8.115 -5.126 5.636 1.00 0.00 H new ATOM 0 HB ILE B 30 6.852 -2.836 7.106 1.00 0.00 H new ATOM 0 HG12 ILE B 30 8.158 -1.557 5.351 1.00 0.00 H new ATOM 0 HG13 ILE B 30 8.695 -3.093 4.701 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.055 -1.806 7.532 1.00 0.00 H new ATOM 0 HG22 ILE B 30 8.821 -3.298 8.473 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.849 -3.314 7.020 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.825 -2.203 3.415 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.363 -3.721 4.221 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.818 -2.161 4.881 1.00 0.00 H new ATOM 1434 N SER B 31 7.283 -5.488 8.806 1.00 0.00 N ATOM 1435 CA SER B 31 7.715 -6.076 10.063 1.00 0.00 C ATOM 1436 C SER B 31 7.729 -7.603 9.983 1.00 0.00 C ATOM 1437 O SER B 31 8.603 -8.255 10.561 1.00 0.00 O ATOM 1438 CB SER B 31 6.816 -5.591 11.201 1.00 0.00 C ATOM 1439 OG SER B 31 5.460 -5.550 10.792 1.00 0.00 O ATOM 0 H SER B 31 6.336 -5.110 8.817 1.00 0.00 H new ATOM 0 HA SER B 31 8.736 -5.753 10.265 1.00 0.00 H new ATOM 0 HB2 SER B 31 6.921 -6.253 12.060 1.00 0.00 H new ATOM 0 HB3 SER B 31 7.133 -4.599 11.523 1.00 0.00 H new ATOM 0 HG SER B 31 5.273 -4.689 10.363 1.00 0.00 H new ATOM 1445 N HIS B 32 6.774 -8.165 9.245 1.00 0.00 N ATOM 1446 CA HIS B 32 6.691 -9.612 9.084 1.00 0.00 C ATOM 1447 C HIS B 32 7.845 -10.136 8.234 1.00 0.00 C ATOM 1448 O HIS B 32 8.566 -11.042 8.646 1.00 0.00 O ATOM 1449 CB HIS B 32 5.358 -10.019 8.444 1.00 0.00 C ATOM 1450 CG HIS B 32 5.168 -11.506 8.364 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.565 -12.264 7.284 1.00 0.00 N ATOM 1452 CD2 HIS B 32 4.639 -12.377 9.253 1.00 0.00 C ATOM 1453 CE1 HIS B 32 5.287 -13.533 7.514 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.726 -13.633 8.703 1.00 0.00 N ATOM 0 H HIS B 32 6.051 -7.642 8.752 1.00 0.00 H new ATOM 0 HA HIS B 32 6.756 -10.053 10.078 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.540 -9.585 9.019 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.301 -9.598 7.440 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.224 -12.130 10.219 1.00 0.00 H new ATOM 0 HE1 HIS B 32 5.486 -14.353 6.840 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.410 -14.498 9.141 1.00 0.00 H new ATOM 1463 N PHE B 33 8.016 -9.560 7.047 1.00 0.00 N ATOM 1464 CA PHE B 33 9.034 -10.030 6.111 1.00 0.00 C ATOM 1465 C PHE B 33 10.402 -9.448 6.451 1.00 0.00 C ATOM 1466 O PHE B 33 11.409 -9.829 5.856 1.00 0.00 O ATOM 1467 CB PHE B 33 8.651 -9.672 4.672 1.00 0.00 C ATOM 1468 CG PHE B 33 7.420 -10.385 4.181 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.496 -11.693 3.731 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.189 -9.750 4.172 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.368 -12.353 3.280 1.00 0.00 C ATOM 1472 CE2 PHE B 33 5.057 -10.405 3.722 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.147 -11.709 3.276 1.00 0.00 C ATOM 0 H PHE B 33 7.465 -8.770 6.711 1.00 0.00 H new ATOM 0 HA PHE B 33 9.092 -11.115 6.199 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.489 -8.596 4.605 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.486 -9.910 4.013 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.448 -12.203 3.733 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.112 -8.731 4.521 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.442 -13.372 2.931 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.104 -9.897 3.719 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.265 -12.223 2.925 1.00 0.00 H new ATOM 1483 N LYS B 34 10.415 -8.525 7.409 1.00 0.00 N ATOM 1484 CA LYS B 34 11.641 -7.896 7.892 1.00 0.00 C ATOM 1485 C LYS B 34 12.339 -7.131 6.770 1.00 0.00 C ATOM 1486 O LYS B 34 13.395 -7.540 6.280 1.00 0.00 O ATOM 1487 CB LYS B 34 12.591 -8.937 8.494 1.00 0.00 C ATOM 1488 CG LYS B 34 13.414 -8.411 9.660 1.00 0.00 C ATOM 1489 CD LYS B 34 12.535 -8.138 10.872 1.00 0.00 C ATOM 1490 CE LYS B 34 11.824 -9.403 11.331 1.00 0.00 C ATOM 1491 NZ LYS B 34 10.928 -9.158 12.489 1.00 0.00 N ATOM 0 H LYS B 34 9.571 -8.191 7.874 1.00 0.00 H new ATOM 0 HA LYS B 34 11.365 -7.188 8.674 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.010 -9.796 8.829 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.266 -9.293 7.716 1.00 0.00 H new ATOM 0 HG2 LYS B 34 14.185 -9.136 9.922 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.926 -7.495 9.364 1.00 0.00 H new ATOM 0 HD2 LYS B 34 13.144 -7.744 11.686 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.799 -7.373 10.626 1.00 0.00 H new ATOM 0 HE2 LYS B 34 11.242 -9.810 10.504 1.00 0.00 H new ATOM 0 HE3 LYS B 34 12.565 -10.156 11.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 10.803 -10.041 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 11.349 -8.435 13.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 10.003 -8.826 12.148 1.00 0.00 H new ATOM 1505 N LEU B 35 11.729 -6.032 6.353 1.00 0.00 N ATOM 1506 CA LEU B 35 12.286 -5.210 5.292 1.00 0.00 C ATOM 1507 C LEU B 35 13.094 -4.058 5.876 1.00 0.00 C ATOM 1508 O LEU B 35 12.846 -3.620 7.001 1.00 0.00 O ATOM 1509 CB LEU B 35 11.173 -4.671 4.386 1.00 0.00 C ATOM 1510 CG LEU B 35 10.380 -5.741 3.628 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.303 -5.098 2.770 1.00 0.00 C ATOM 1512 CD2 LEU B 35 11.309 -6.587 2.769 1.00 0.00 C ATOM 0 H LEU B 35 10.847 -5.689 6.734 1.00 0.00 H new ATOM 0 HA LEU B 35 12.950 -5.832 4.692 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.480 -4.089 4.994 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.614 -3.986 3.662 1.00 0.00 H new ATOM 0 HG LEU B 35 9.898 -6.392 4.358 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.750 -5.873 2.239 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.619 -4.535 3.406 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.766 -4.424 2.049 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.728 -7.341 2.238 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.820 -5.949 2.048 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.046 -7.078 3.405 1.00 0.00 H new ATOM 1524 N VAL B 36 14.059 -3.579 5.109 1.00 0.00 N ATOM 1525 CA VAL B 36 14.941 -2.516 5.557 1.00 0.00 C ATOM 1526 C VAL B 36 14.402 -1.153 5.139 1.00 0.00 C ATOM 1527 O VAL B 36 14.109 -0.922 3.963 1.00 0.00 O ATOM 1528 CB VAL B 36 16.367 -2.695 4.987 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.299 -1.603 5.492 1.00 0.00 C ATOM 1530 CG2 VAL B 36 16.915 -4.070 5.339 1.00 0.00 C ATOM 0 H VAL B 36 14.252 -3.914 4.165 1.00 0.00 H new ATOM 0 HA VAL B 36 14.985 -2.569 6.645 1.00 0.00 H new ATOM 0 HB VAL B 36 16.308 -2.613 3.902 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.295 -1.753 5.076 1.00 0.00 H new ATOM 0 HG12 VAL B 36 16.920 -0.629 5.183 1.00 0.00 H new ATOM 0 HG13 VAL B 36 17.351 -1.643 6.580 1.00 0.00 H new ATOM 0 HG21 VAL B 36 17.919 -4.177 4.929 1.00 0.00 H new ATOM 0 HG22 VAL B 36 16.951 -4.181 6.423 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.267 -4.839 4.917 1.00 0.00 H new ATOM 1540 N LYS B 37 14.267 -0.257 6.107 1.00 0.00 N ATOM 1541 CA LYS B 37 13.830 1.103 5.839 1.00 0.00 C ATOM 1542 C LYS B 37 15.036 1.920 5.386 1.00 0.00 C ATOM 1543 O LYS B 37 15.764 2.483 6.206 1.00 0.00 O ATOM 1544 CB LYS B 37 13.185 1.708 7.096 1.00 0.00 C ATOM 1545 CG LYS B 37 12.228 2.871 6.836 1.00 0.00 C ATOM 1546 CD LYS B 37 12.957 4.160 6.492 1.00 0.00 C ATOM 1547 CE LYS B 37 12.002 5.343 6.432 1.00 0.00 C ATOM 1548 NZ LYS B 37 11.245 5.515 7.704 1.00 0.00 N ATOM 0 H LYS B 37 14.456 -0.451 7.090 1.00 0.00 H new ATOM 0 HA LYS B 37 13.078 1.110 5.050 1.00 0.00 H new ATOM 0 HB2 LYS B 37 12.643 0.922 7.622 1.00 0.00 H new ATOM 0 HB3 LYS B 37 13.976 2.051 7.763 1.00 0.00 H new ATOM 0 HG2 LYS B 37 11.556 2.608 6.019 1.00 0.00 H new ATOM 0 HG3 LYS B 37 11.609 3.032 7.719 1.00 0.00 H new ATOM 0 HD2 LYS B 37 13.729 4.352 7.237 1.00 0.00 H new ATOM 0 HD3 LYS B 37 13.461 4.049 5.532 1.00 0.00 H new ATOM 0 HE2 LYS B 37 12.564 6.252 6.219 1.00 0.00 H new ATOM 0 HE3 LYS B 37 11.301 5.202 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 10.948 6.507 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 10.405 4.902 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 11.853 5.256 8.507 1.00 0.00 H new ATOM 1562 N VAL B 38 15.252 1.945 4.077 1.00 0.00 N ATOM 1563 CA VAL B 38 16.431 2.569 3.490 1.00 0.00 C ATOM 1564 C VAL B 38 16.416 4.079 3.698 1.00 0.00 C ATOM 1565 O VAL B 38 17.401 4.672 4.141 1.00 0.00 O ATOM 1566 CB VAL B 38 16.528 2.269 1.978 1.00 0.00 C ATOM 1567 CG1 VAL B 38 17.803 2.854 1.387 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.457 0.771 1.722 1.00 0.00 C ATOM 0 H VAL B 38 14.616 1.534 3.393 1.00 0.00 H new ATOM 0 HA VAL B 38 17.299 2.146 3.995 1.00 0.00 H new ATOM 0 HB VAL B 38 15.679 2.743 1.485 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.847 2.629 0.321 1.00 0.00 H new ATOM 0 HG12 VAL B 38 17.808 3.935 1.530 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.669 2.418 1.886 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.527 0.581 0.651 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.282 0.275 2.233 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.511 0.382 2.098 1.00 0.00 H new ATOM 1578 N GLY B 39 15.291 4.695 3.374 1.00 0.00 N ATOM 1579 CA GLY B 39 15.173 6.130 3.502 1.00 0.00 C ATOM 1580 C GLY B 39 13.755 6.600 3.287 1.00 0.00 C ATOM 1581 O GLY B 39 12.839 5.785 3.163 1.00 0.00 O ATOM 0 H GLY B 39 14.456 4.225 3.024 1.00 0.00 H new ATOM 0 HA2 GLY B 39 15.510 6.435 4.493 1.00 0.00 H new ATOM 0 HA3 GLY B 39 15.829 6.614 2.779 1.00 0.00 H new ATOM 1585 N THR B 40 13.570 7.907 3.243 1.00 0.00 N ATOM 1586 CA THR B 40 12.250 8.485 3.064 1.00 0.00 C ATOM 1587 C THR B 40 12.222 9.364 1.816 1.00 0.00 C ATOM 1588 O THR B 40 13.120 10.179 1.604 1.00 0.00 O ATOM 1589 CB THR B 40 11.862 9.327 4.292 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.373 8.706 5.480 1.00 0.00 O ATOM 1591 CG2 THR B 40 10.351 9.467 4.403 1.00 0.00 C ATOM 0 H THR B 40 14.321 8.591 3.329 1.00 0.00 H new ATOM 0 HA THR B 40 11.534 7.672 2.947 1.00 0.00 H new ATOM 0 HB THR B 40 12.293 10.322 4.177 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.127 9.243 6.262 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.105 10.067 5.279 1.00 0.00 H new ATOM 0 HG22 THR B 40 9.964 9.955 3.509 1.00 0.00 H new ATOM 0 HG23 THR B 40 9.900 8.479 4.501 1.00 0.00 H new ATOM 1599 N ILE B 41 11.204 9.185 0.988 1.00 0.00 N ATOM 1600 CA ILE B 41 11.051 9.985 -0.218 1.00 0.00 C ATOM 1601 C ILE B 41 9.829 10.883 -0.107 1.00 0.00 C ATOM 1602 O ILE B 41 8.737 10.427 0.233 1.00 0.00 O ATOM 1603 CB ILE B 41 10.939 9.112 -1.490 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.872 8.023 -1.314 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.289 8.495 -1.830 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.637 7.188 -2.556 1.00 0.00 C ATOM 0 H ILE B 41 10.470 8.491 1.130 1.00 0.00 H new ATOM 0 HA ILE B 41 11.949 10.595 -0.311 1.00 0.00 H new ATOM 0 HB ILE B 41 10.633 9.751 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.169 7.366 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE B 41 8.933 8.492 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.194 7.884 -2.727 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.017 9.287 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.624 7.872 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.870 6.441 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.308 7.833 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.564 6.689 -2.839 1.00 0.00 H new ATOM 1618 N ASN B 42 10.019 12.164 -0.369 1.00 0.00 N ATOM 1619 CA ASN B 42 8.930 13.122 -0.303 1.00 0.00 C ATOM 1620 C ASN B 42 8.723 13.813 -1.643 1.00 0.00 C ATOM 1621 O ASN B 42 9.625 14.459 -2.175 1.00 0.00 O ATOM 1622 CB ASN B 42 9.162 14.162 0.805 1.00 0.00 C ATOM 1623 CG ASN B 42 10.600 14.655 0.902 1.00 0.00 C ATOM 1624 OD1 ASN B 42 11.361 14.621 -0.065 1.00 0.00 O ATOM 1625 ND2 ASN B 42 10.970 15.145 2.073 1.00 0.00 N ATOM 0 H ASN B 42 10.920 12.565 -0.630 1.00 0.00 H new ATOM 0 HA ASN B 42 8.025 12.565 -0.060 1.00 0.00 H new ATOM 0 HB2 ASN B 42 8.507 15.016 0.630 1.00 0.00 H new ATOM 0 HB3 ASN B 42 8.872 13.729 1.762 1.00 0.00 H new ATOM 0 HD21 ASN B 42 11.914 15.511 2.197 1.00 0.00 H new ATOM 0 HD22 ASN B 42 10.312 15.157 2.852 1.00 0.00 H new ATOM 1632 N VAL B 43 7.532 13.668 -2.186 1.00 0.00 N ATOM 1633 CA VAL B 43 7.170 14.323 -3.423 1.00 0.00 C ATOM 1634 C VAL B 43 6.324 15.546 -3.116 1.00 0.00 C ATOM 1635 O VAL B 43 5.137 15.430 -2.817 1.00 0.00 O ATOM 1636 CB VAL B 43 6.382 13.387 -4.368 1.00 0.00 C ATOM 1637 CG1 VAL B 43 6.090 14.077 -5.694 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.132 12.084 -4.598 1.00 0.00 C ATOM 0 H VAL B 43 6.791 13.095 -1.783 1.00 0.00 H new ATOM 0 HA VAL B 43 8.093 14.609 -3.928 1.00 0.00 H new ATOM 0 HB VAL B 43 5.433 13.151 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.535 13.399 -6.342 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.497 14.974 -5.515 1.00 0.00 H new ATOM 0 HG13 VAL B 43 7.028 14.352 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.555 11.445 -5.266 1.00 0.00 H new ATOM 0 HG22 VAL B 43 8.102 12.297 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.278 11.575 -3.645 1.00 0.00 H new ATOM 1648 N SER B 44 6.950 16.707 -3.150 1.00 0.00 N ATOM 1649 CA SER B 44 6.245 17.953 -2.938 1.00 0.00 C ATOM 1650 C SER B 44 5.886 18.540 -4.293 1.00 0.00 C ATOM 1651 O SER B 44 6.749 19.043 -5.016 1.00 0.00 O ATOM 1652 CB SER B 44 7.107 18.927 -2.128 1.00 0.00 C ATOM 1653 OG SER B 44 6.366 20.068 -1.729 1.00 0.00 O ATOM 0 H SER B 44 7.950 16.811 -3.323 1.00 0.00 H new ATOM 0 HA SER B 44 5.334 17.773 -2.367 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.500 18.420 -1.246 1.00 0.00 H new ATOM 0 HB3 SER B 44 7.964 19.239 -2.725 1.00 0.00 H new ATOM 0 HG SER B 44 5.486 19.788 -1.401 1.00 0.00 H new ATOM 1659 N GLN B 45 4.620 18.448 -4.644 1.00 0.00 N ATOM 1660 CA GLN B 45 4.176 18.829 -5.969 1.00 0.00 C ATOM 1661 C GLN B 45 3.554 20.213 -5.983 1.00 0.00 C ATOM 1662 O GLN B 45 2.842 20.602 -5.059 1.00 0.00 O ATOM 1663 CB GLN B 45 3.184 17.803 -6.513 1.00 0.00 C ATOM 1664 CG GLN B 45 3.834 16.770 -7.414 1.00 0.00 C ATOM 1665 CD GLN B 45 4.452 17.402 -8.639 1.00 0.00 C ATOM 1666 OE1 GLN B 45 3.977 18.429 -9.123 1.00 0.00 O ATOM 1667 NE2 GLN B 45 5.515 16.801 -9.146 1.00 0.00 N ATOM 0 H GLN B 45 3.879 18.112 -4.029 1.00 0.00 H new ATOM 0 HA GLN B 45 5.056 18.856 -6.611 1.00 0.00 H new ATOM 0 HB2 GLN B 45 2.700 17.296 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN B 45 2.402 18.321 -7.068 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.601 16.233 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN B 45 3.089 16.035 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN B 45 5.876 15.951 -8.713 1.00 0.00 H new ATOM 0 HE22 GLN B 45 5.975 17.187 -9.971 1.00 0.00 H new ATOM 1676 N SER B 46 3.833 20.943 -7.051 1.00 0.00 N ATOM 1677 CA SER B 46 3.279 22.267 -7.257 1.00 0.00 C ATOM 1678 C SER B 46 1.905 22.177 -7.914 1.00 0.00 C ATOM 1679 O SER B 46 1.272 23.192 -8.209 1.00 0.00 O ATOM 1680 CB SER B 46 4.241 23.082 -8.120 1.00 0.00 C ATOM 1681 OG SER B 46 4.895 22.245 -9.064 1.00 0.00 O ATOM 0 H SER B 46 4.452 20.631 -7.800 1.00 0.00 H new ATOM 0 HA SER B 46 3.154 22.762 -6.294 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.695 23.869 -8.640 1.00 0.00 H new ATOM 0 HB3 SER B 46 4.980 23.573 -7.487 1.00 0.00 H new ATOM 0 HG SER B 46 5.506 22.783 -9.610 1.00 0.00 H new ATOM 1687 N GLY B 47 1.456 20.950 -8.145 1.00 0.00 N ATOM 1688 CA GLY B 47 0.161 20.731 -8.751 1.00 0.00 C ATOM 1689 C GLY B 47 0.257 20.600 -10.255 1.00 0.00 C ATOM 1690 O GLY B 47 1.258 20.992 -10.855 1.00 0.00 O ATOM 0 H GLY B 47 1.971 20.099 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -0.286 19.828 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.502 21.559 -8.500 1.00 0.00 H new ATOM 1694 N GLY B 48 -0.773 20.035 -10.861 1.00 0.00 N ATOM 1695 CA GLY B 48 -0.803 19.896 -12.305 1.00 0.00 C ATOM 1696 C GLY B 48 -0.105 18.639 -12.787 1.00 0.00 C ATOM 1697 O GLY B 48 -0.681 17.859 -13.545 1.00 0.00 O ATOM 0 H GLY B 48 -1.594 19.668 -10.379 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -1.839 19.884 -12.643 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -0.330 20.766 -12.760 1.00 0.00 H new ATOM 1701 N GLN B 49 1.133 18.444 -12.341 1.00 0.00 N ATOM 1702 CA GLN B 49 1.934 17.298 -12.764 1.00 0.00 C ATOM 1703 C GLN B 49 1.279 15.994 -12.324 1.00 0.00 C ATOM 1704 O GLN B 49 1.117 15.068 -13.119 1.00 0.00 O ATOM 1705 CB GLN B 49 3.345 17.384 -12.184 1.00 0.00 C ATOM 1706 CG GLN B 49 4.065 18.684 -12.502 1.00 0.00 C ATOM 1707 CD GLN B 49 5.463 18.726 -11.916 1.00 0.00 C ATOM 1708 OE1 GLN B 49 6.135 17.697 -11.798 1.00 0.00 O ATOM 1709 NE2 GLN B 49 5.902 19.908 -11.522 1.00 0.00 N ATOM 0 H GLN B 49 1.605 19.066 -11.685 1.00 0.00 H new ATOM 0 HA GLN B 49 1.996 17.315 -13.852 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.290 17.266 -11.102 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.935 16.551 -12.566 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.123 18.810 -13.583 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.486 19.522 -12.114 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.315 20.734 -11.637 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.828 19.994 -11.102 1.00 0.00 H new ATOM 1718 N ILE B 50 0.911 15.928 -11.053 1.00 0.00 N ATOM 1719 CA ILE B 50 0.215 14.767 -10.530 1.00 0.00 C ATOM 1720 C ILE B 50 -1.266 15.067 -10.399 1.00 0.00 C ATOM 1721 O ILE B 50 -1.663 16.001 -9.704 1.00 0.00 O ATOM 1722 CB ILE B 50 0.774 14.313 -9.164 1.00 0.00 C ATOM 1723 CG1 ILE B 50 2.228 13.862 -9.313 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.082 13.192 -8.581 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.808 13.257 -8.054 1.00 0.00 C ATOM 0 H ILE B 50 1.083 16.664 -10.368 1.00 0.00 H new ATOM 0 HA ILE B 50 0.371 13.952 -11.237 1.00 0.00 H new ATOM 0 HB ILE B 50 0.742 15.157 -8.475 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.292 13.132 -10.120 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.836 14.717 -9.608 1.00 0.00 H new ATOM 0 HG21 ILE B 50 0.327 12.885 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.103 13.548 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.082 12.342 -9.263 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.841 12.961 -8.235 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.777 13.992 -7.250 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.224 12.382 -7.769 1.00 0.00 H new ATOM 1737 N SER B 51 -2.070 14.279 -11.086 1.00 0.00 N ATOM 1738 CA SER B 51 -3.511 14.431 -11.039 1.00 0.00 C ATOM 1739 C SER B 51 -4.166 13.063 -10.908 1.00 0.00 C ATOM 1740 O SER B 51 -5.143 12.891 -10.179 1.00 0.00 O ATOM 1741 CB SER B 51 -4.004 15.147 -12.302 1.00 0.00 C ATOM 1742 OG SER B 51 -5.392 15.438 -12.230 1.00 0.00 O ATOM 0 H SER B 51 -1.746 13.522 -11.688 1.00 0.00 H new ATOM 0 HA SER B 51 -3.783 15.034 -10.173 1.00 0.00 H new ATOM 0 HB2 SER B 51 -3.444 16.072 -12.438 1.00 0.00 H new ATOM 0 HB3 SER B 51 -3.807 14.524 -13.174 1.00 0.00 H new ATOM 0 HG SER B 51 -5.673 15.895 -13.050 1.00 0.00 H new ATOM 1748 N SER B 52 -3.610 12.089 -11.607 1.00 0.00 N ATOM 1749 CA SER B 52 -4.135 10.743 -11.587 1.00 0.00 C ATOM 1750 C SER B 52 -3.319 9.884 -10.624 1.00 0.00 C ATOM 1751 O SER B 52 -2.156 10.194 -10.345 1.00 0.00 O ATOM 1752 CB SER B 52 -4.079 10.155 -13.000 1.00 0.00 C ATOM 1753 OG SER B 52 -4.599 11.070 -13.954 1.00 0.00 O ATOM 0 H SER B 52 -2.788 12.211 -12.199 1.00 0.00 H new ATOM 0 HA SER B 52 -5.171 10.760 -11.248 1.00 0.00 H new ATOM 0 HB2 SER B 52 -3.048 9.907 -13.254 1.00 0.00 H new ATOM 0 HB3 SER B 52 -4.648 9.226 -13.034 1.00 0.00 H new ATOM 0 HG SER B 52 -4.551 10.673 -14.848 1.00 0.00 H new ATOM 1759 N PRO B 53 -3.910 8.799 -10.093 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.188 7.846 -9.242 1.00 0.00 C ATOM 1761 C PRO B 53 -1.949 7.304 -9.947 1.00 0.00 C ATOM 1762 O PRO B 53 -0.955 6.954 -9.309 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.206 6.727 -9.007 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.534 7.372 -9.207 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.328 8.426 -10.260 1.00 0.00 C ATOM 0 HA PRO B 53 -2.830 8.300 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.057 5.904 -9.706 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.114 6.313 -8.003 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -6.278 6.642 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -5.897 7.813 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -5.528 8.040 -11.260 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -5.989 9.280 -10.110 1.00 0.00 H new ATOM 1773 N SER B 54 -2.028 7.256 -11.273 1.00 0.00 N ATOM 1774 CA SER B 54 -0.922 6.831 -12.111 1.00 0.00 C ATOM 1775 C SER B 54 0.306 7.710 -11.874 1.00 0.00 C ATOM 1776 O SER B 54 1.402 7.204 -11.640 1.00 0.00 O ATOM 1777 CB SER B 54 -1.348 6.906 -13.576 1.00 0.00 C ATOM 1778 OG SER B 54 -2.678 6.434 -13.734 1.00 0.00 O ATOM 0 H SER B 54 -2.866 7.513 -11.795 1.00 0.00 H new ATOM 0 HA SER B 54 -0.656 5.805 -11.857 1.00 0.00 H new ATOM 0 HB2 SER B 54 -1.277 7.935 -13.929 1.00 0.00 H new ATOM 0 HB3 SER B 54 -0.670 6.312 -14.188 1.00 0.00 H new ATOM 0 HG SER B 54 -2.935 6.491 -14.678 1.00 0.00 H new ATOM 1784 N ASP B 55 0.103 9.029 -11.897 1.00 0.00 N ATOM 1785 CA ASP B 55 1.203 9.982 -11.736 1.00 0.00 C ATOM 1786 C ASP B 55 1.810 9.855 -10.349 1.00 0.00 C ATOM 1787 O ASP B 55 3.031 9.838 -10.186 1.00 0.00 O ATOM 1788 CB ASP B 55 0.724 11.427 -11.926 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.126 11.630 -13.162 1.00 0.00 C ATOM 1790 OD1 ASP B 55 0.379 11.427 -14.285 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -1.307 12.010 -13.009 1.00 0.00 O ATOM 0 H ASP B 55 -0.812 9.461 -12.025 1.00 0.00 H new ATOM 0 HA ASP B 55 1.947 9.749 -12.497 1.00 0.00 H new ATOM 0 HB2 ASP B 55 0.152 11.729 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP B 55 1.592 12.084 -11.981 1.00 0.00 H new ATOM 1796 N LEU B 56 0.935 9.763 -9.353 1.00 0.00 N ATOM 1797 CA LEU B 56 1.352 9.680 -7.960 1.00 0.00 C ATOM 1798 C LEU B 56 2.249 8.470 -7.727 1.00 0.00 C ATOM 1799 O LEU B 56 3.368 8.602 -7.231 1.00 0.00 O ATOM 1800 CB LEU B 56 0.125 9.606 -7.046 1.00 0.00 C ATOM 1801 CG LEU B 56 0.429 9.498 -5.550 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.213 10.711 -5.073 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.859 9.346 -4.756 1.00 0.00 C ATOM 0 H LEU B 56 -0.076 9.744 -9.488 1.00 0.00 H new ATOM 0 HA LEU B 56 1.923 10.578 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.486 10.493 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.476 8.746 -7.341 1.00 0.00 H new ATOM 0 HG LEU B 56 1.041 8.611 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.419 10.615 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.154 10.774 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.629 11.614 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.625 9.270 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.496 10.214 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.380 8.444 -5.078 1.00 0.00 H new ATOM 1815 N ARG B 57 1.765 7.296 -8.109 1.00 0.00 N ATOM 1816 CA ARG B 57 2.505 6.063 -7.877 1.00 0.00 C ATOM 1817 C ARG B 57 3.757 6.013 -8.740 1.00 0.00 C ATOM 1818 O ARG B 57 4.767 5.441 -8.339 1.00 0.00 O ATOM 1819 CB ARG B 57 1.634 4.840 -8.160 1.00 0.00 C ATOM 1820 CG ARG B 57 0.338 4.812 -7.368 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.411 3.508 -7.577 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.523 3.158 -8.992 1.00 0.00 N ATOM 1823 CZ ARG B 57 -1.570 2.536 -9.528 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -2.629 2.241 -8.783 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -1.562 2.217 -10.815 1.00 0.00 N ATOM 0 H ARG B 57 0.868 7.171 -8.578 1.00 0.00 H new ATOM 0 HA ARG B 57 2.799 6.048 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.399 4.812 -9.224 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.205 3.939 -7.936 1.00 0.00 H new ATOM 0 HG2 ARG B 57 0.555 4.943 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -0.293 5.648 -7.670 1.00 0.00 H new ATOM 0 HD2 ARG B 57 0.102 2.707 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -1.408 3.590 -7.144 1.00 0.00 H new ATOM 0 HE ARG B 57 0.251 3.407 -9.608 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -2.643 2.491 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -3.429 1.764 -9.200 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -0.754 2.448 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -2.364 1.740 -11.227 1.00 0.00 H new ATOM 1839 N GLU B 58 3.688 6.625 -9.916 1.00 0.00 N ATOM 1840 CA GLU B 58 4.816 6.641 -10.835 1.00 0.00 C ATOM 1841 C GLU B 58 5.985 7.416 -10.239 1.00 0.00 C ATOM 1842 O GLU B 58 7.131 6.989 -10.340 1.00 0.00 O ATOM 1843 CB GLU B 58 4.398 7.237 -12.180 1.00 0.00 C ATOM 1844 CG GLU B 58 5.452 7.106 -13.264 1.00 0.00 C ATOM 1845 CD GLU B 58 4.863 7.226 -14.651 1.00 0.00 C ATOM 1846 OE1 GLU B 58 4.290 6.228 -15.141 1.00 0.00 O ATOM 1847 OE2 GLU B 58 4.968 8.312 -15.261 1.00 0.00 O ATOM 0 H GLU B 58 2.861 7.117 -10.255 1.00 0.00 H new ATOM 0 HA GLU B 58 5.142 5.614 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.483 6.747 -12.515 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.162 8.292 -12.041 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.211 7.876 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.954 6.143 -13.166 1.00 0.00 H new ATOM 1854 N LYS B 59 5.688 8.542 -9.598 1.00 0.00 N ATOM 1855 CA LYS B 59 6.719 9.325 -8.924 1.00 0.00 C ATOM 1856 C LYS B 59 7.294 8.561 -7.741 1.00 0.00 C ATOM 1857 O LYS B 59 8.502 8.580 -7.507 1.00 0.00 O ATOM 1858 CB LYS B 59 6.169 10.678 -8.471 1.00 0.00 C ATOM 1859 CG LYS B 59 6.276 11.747 -9.541 1.00 0.00 C ATOM 1860 CD LYS B 59 7.733 12.033 -9.870 1.00 0.00 C ATOM 1861 CE LYS B 59 7.868 12.883 -11.119 1.00 0.00 C ATOM 1862 NZ LYS B 59 9.288 13.079 -11.508 1.00 0.00 N ATOM 0 H LYS B 59 4.748 8.931 -9.531 1.00 0.00 H new ATOM 0 HA LYS B 59 7.522 9.505 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.124 10.562 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.709 11.005 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.752 11.423 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS B 59 5.789 12.660 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS B 59 8.203 12.544 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS B 59 8.266 11.093 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS B 59 7.329 12.409 -11.940 1.00 0.00 H new ATOM 0 HE3 LYS B 59 7.401 13.853 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 9.335 13.665 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 9.797 13.554 -10.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 9.727 12.155 -11.695 1.00 0.00 H new ATOM 1876 N LEU B 60 6.423 7.883 -7.006 1.00 0.00 N ATOM 1877 CA LEU B 60 6.851 7.063 -5.881 1.00 0.00 C ATOM 1878 C LEU B 60 7.751 5.932 -6.365 1.00 0.00 C ATOM 1879 O LEU B 60 8.813 5.685 -5.797 1.00 0.00 O ATOM 1880 CB LEU B 60 5.634 6.493 -5.151 1.00 0.00 C ATOM 1881 CG LEU B 60 4.670 7.536 -4.586 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.420 6.863 -4.046 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.346 8.356 -3.498 1.00 0.00 C ATOM 0 H LEU B 60 5.416 7.885 -7.169 1.00 0.00 H new ATOM 0 HA LEU B 60 7.416 7.687 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.086 5.849 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.983 5.862 -4.333 1.00 0.00 H new ATOM 0 HG LEU B 60 4.380 8.210 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.743 7.619 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.923 6.319 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.695 6.167 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.644 9.093 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.665 7.697 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.214 8.867 -3.914 1.00 0.00 H new ATOM 1895 N SER B 61 7.321 5.265 -7.429 1.00 0.00 N ATOM 1896 CA SER B 61 8.085 4.180 -8.025 1.00 0.00 C ATOM 1897 C SER B 61 9.417 4.703 -8.561 1.00 0.00 C ATOM 1898 O SER B 61 10.461 4.082 -8.370 1.00 0.00 O ATOM 1899 CB SER B 61 7.270 3.529 -9.148 1.00 0.00 C ATOM 1900 OG SER B 61 7.920 2.384 -9.674 1.00 0.00 O ATOM 0 H SER B 61 6.438 5.461 -7.900 1.00 0.00 H new ATOM 0 HA SER B 61 8.295 3.430 -7.263 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.288 3.247 -8.768 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.107 4.253 -9.946 1.00 0.00 H new ATOM 0 HG SER B 61 7.371 1.994 -10.386 1.00 0.00 H new ATOM 1906 N GLU B 62 9.366 5.859 -9.214 1.00 0.00 N ATOM 1907 CA GLU B 62 10.550 6.486 -9.789 1.00 0.00 C ATOM 1908 C GLU B 62 11.596 6.777 -8.714 1.00 0.00 C ATOM 1909 O GLU B 62 12.764 6.409 -8.856 1.00 0.00 O ATOM 1910 CB GLU B 62 10.151 7.781 -10.505 1.00 0.00 C ATOM 1911 CG GLU B 62 11.305 8.513 -11.169 1.00 0.00 C ATOM 1912 CD GLU B 62 10.846 9.755 -11.905 1.00 0.00 C ATOM 1913 OE1 GLU B 62 10.664 10.806 -11.256 1.00 0.00 O ATOM 1914 OE2 GLU B 62 10.667 9.687 -13.134 1.00 0.00 O ATOM 0 H GLU B 62 8.505 6.386 -9.359 1.00 0.00 H new ATOM 0 HA GLU B 62 10.992 5.796 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU B 62 9.402 7.547 -11.261 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.679 8.449 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU B 62 12.040 8.791 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.805 7.842 -11.868 1.00 0.00 H new ATOM 1921 N LEU B 63 11.171 7.421 -7.634 1.00 0.00 N ATOM 1922 CA LEU B 63 12.089 7.782 -6.561 1.00 0.00 C ATOM 1923 C LEU B 63 12.566 6.544 -5.808 1.00 0.00 C ATOM 1924 O LEU B 63 13.735 6.452 -5.433 1.00 0.00 O ATOM 1925 CB LEU B 63 11.435 8.771 -5.592 1.00 0.00 C ATOM 1926 CG LEU B 63 10.980 10.094 -6.214 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.466 11.036 -5.139 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.112 10.746 -6.994 1.00 0.00 C ATOM 0 H LEU B 63 10.203 7.703 -7.478 1.00 0.00 H new ATOM 0 HA LEU B 63 12.955 8.263 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.572 8.288 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.141 8.989 -4.790 1.00 0.00 H new ATOM 0 HG LEU B 63 10.168 9.881 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.147 11.972 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.621 10.576 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.261 11.237 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU B 63 11.763 11.684 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU B 63 12.949 10.944 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.436 10.078 -7.792 1.00 0.00 H new ATOM 1940 N ALA B 64 11.664 5.590 -5.596 1.00 0.00 N ATOM 1941 CA ALA B 64 12.014 4.348 -4.916 1.00 0.00 C ATOM 1942 C ALA B 64 13.042 3.563 -5.722 1.00 0.00 C ATOM 1943 O ALA B 64 14.015 3.049 -5.169 1.00 0.00 O ATOM 1944 CB ALA B 64 10.774 3.501 -4.669 1.00 0.00 C ATOM 0 H ALA B 64 10.688 5.653 -5.885 1.00 0.00 H new ATOM 0 HA ALA B 64 12.454 4.603 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.058 2.579 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.072 4.057 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.303 3.260 -5.622 1.00 0.00 H new ATOM 1950 N ASP B 65 12.826 3.491 -7.032 1.00 0.00 N ATOM 1951 CA ASP B 65 13.746 2.801 -7.932 1.00 0.00 C ATOM 1952 C ASP B 65 15.123 3.451 -7.902 1.00 0.00 C ATOM 1953 O ASP B 65 16.142 2.761 -7.850 1.00 0.00 O ATOM 1954 CB ASP B 65 13.201 2.805 -9.362 1.00 0.00 C ATOM 1955 CG ASP B 65 14.166 2.189 -10.357 1.00 0.00 C ATOM 1956 OD1 ASP B 65 14.231 0.945 -10.439 1.00 0.00 O ATOM 1957 OD2 ASP B 65 14.855 2.946 -11.072 1.00 0.00 O ATOM 0 H ASP B 65 12.017 3.904 -7.496 1.00 0.00 H new ATOM 0 HA ASP B 65 13.840 1.770 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.259 2.258 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP B 65 12.983 3.830 -9.661 1.00 0.00 H new ATOM 1962 N ALA B 66 15.143 4.780 -7.918 1.00 0.00 N ATOM 1963 CA ALA B 66 16.391 5.531 -7.876 1.00 0.00 C ATOM 1964 C ALA B 66 17.124 5.307 -6.555 1.00 0.00 C ATOM 1965 O ALA B 66 18.355 5.286 -6.512 1.00 0.00 O ATOM 1966 CB ALA B 66 16.121 7.012 -8.096 1.00 0.00 C ATOM 0 H ALA B 66 14.305 5.360 -7.960 1.00 0.00 H new ATOM 0 HA ALA B 66 17.034 5.170 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA B 66 17.061 7.562 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.651 7.156 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.457 7.381 -7.314 1.00 0.00 H new ATOM 1972 N LYS B 67 16.362 5.149 -5.479 1.00 0.00 N ATOM 1973 CA LYS B 67 16.932 4.862 -4.166 1.00 0.00 C ATOM 1974 C LYS B 67 17.399 3.412 -4.079 1.00 0.00 C ATOM 1975 O LYS B 67 18.355 3.100 -3.365 1.00 0.00 O ATOM 1976 CB LYS B 67 15.906 5.156 -3.070 1.00 0.00 C ATOM 1977 CG LYS B 67 15.699 6.640 -2.819 1.00 0.00 C ATOM 1978 CD LYS B 67 16.811 7.219 -1.960 1.00 0.00 C ATOM 1979 CE LYS B 67 16.753 8.737 -1.916 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.431 9.353 -3.085 1.00 0.00 N ATOM 0 H LYS B 67 15.344 5.215 -5.489 1.00 0.00 H new ATOM 0 HA LYS B 67 17.799 5.507 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS B 67 14.952 4.705 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.228 4.680 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.660 7.169 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.739 6.797 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS B 67 16.733 6.822 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.777 6.903 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.712 9.060 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS B 67 17.221 9.091 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 17.369 10.389 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 18.431 9.066 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 16.969 9.036 -3.961 1.00 0.00 H new ATOM 1994 N GLY B 68 16.723 2.533 -4.802 1.00 0.00 N ATOM 1995 CA GLY B 68 17.119 1.139 -4.834 1.00 0.00 C ATOM 1996 C GLY B 68 16.148 0.232 -4.105 1.00 0.00 C ATOM 1997 O GLY B 68 16.500 -0.888 -3.738 1.00 0.00 O ATOM 0 H GLY B 68 15.906 2.759 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.203 0.814 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.108 1.037 -4.387 1.00 0.00 H new ATOM 2001 N GLY B 69 14.926 0.704 -3.908 1.00 0.00 N ATOM 2002 CA GLY B 69 13.936 -0.078 -3.195 1.00 0.00 C ATOM 2003 C GLY B 69 12.867 -0.631 -4.115 1.00 0.00 C ATOM 2004 O GLY B 69 12.509 -0.001 -5.109 1.00 0.00 O ATOM 0 H GLY B 69 14.601 1.616 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.430 -0.902 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.468 0.542 -2.430 1.00 0.00 H new ATOM 2008 N LYS B 70 12.360 -1.812 -3.787 1.00 0.00 N ATOM 2009 CA LYS B 70 11.317 -2.446 -4.587 1.00 0.00 C ATOM 2010 C LYS B 70 9.941 -2.173 -3.996 1.00 0.00 C ATOM 2011 O LYS B 70 8.920 -2.338 -4.663 1.00 0.00 O ATOM 2012 CB LYS B 70 11.544 -3.957 -4.673 1.00 0.00 C ATOM 2013 CG LYS B 70 12.814 -4.354 -5.404 1.00 0.00 C ATOM 2014 CD LYS B 70 12.933 -5.865 -5.507 1.00 0.00 C ATOM 2015 CE LYS B 70 14.156 -6.276 -6.306 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.245 -7.753 -6.459 1.00 0.00 N ATOM 0 H LYS B 70 12.653 -2.352 -2.973 1.00 0.00 H new ATOM 0 HA LYS B 70 11.364 -2.021 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.576 -4.366 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS B 70 10.691 -4.413 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.815 -3.917 -6.402 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.681 -3.952 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS B 70 12.990 -6.295 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.037 -6.270 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.120 -5.810 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.054 -5.907 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.093 -7.994 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.305 -8.196 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.400 -8.102 -6.954 1.00 0.00 H new ATOM 2030 N TYR B 71 9.916 -1.765 -2.740 1.00 0.00 N ATOM 2031 CA TYR B 71 8.663 -1.522 -2.048 1.00 0.00 C ATOM 2032 C TYR B 71 8.690 -0.168 -1.364 1.00 0.00 C ATOM 2033 O TYR B 71 9.730 0.273 -0.879 1.00 0.00 O ATOM 2034 CB TYR B 71 8.395 -2.628 -1.022 1.00 0.00 C ATOM 2035 CG TYR B 71 8.240 -4.000 -1.638 1.00 0.00 C ATOM 2036 CD1 TYR B 71 7.000 -4.448 -2.076 1.00 0.00 C ATOM 2037 CD2 TYR B 71 9.334 -4.845 -1.790 1.00 0.00 C ATOM 2038 CE1 TYR B 71 6.855 -5.698 -2.648 1.00 0.00 C ATOM 2039 CE2 TYR B 71 9.197 -6.095 -2.360 1.00 0.00 C ATOM 2040 CZ TYR B 71 7.956 -6.516 -2.787 1.00 0.00 C ATOM 2041 OH TYR B 71 7.817 -7.760 -3.360 1.00 0.00 O ATOM 0 H TYR B 71 10.750 -1.595 -2.178 1.00 0.00 H new ATOM 0 HA TYR B 71 7.858 -1.526 -2.783 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.214 -2.652 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR B 71 7.490 -2.384 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR B 71 6.136 -3.810 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR B 71 10.308 -4.518 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR B 71 5.885 -6.032 -2.984 1.00 0.00 H new ATOM 0 HE2 TYR B 71 10.057 -6.739 -2.471 1.00 0.00 H new ATOM 0 HH TYR B 71 8.688 -8.208 -3.384 1.00 0.00 H new ATOM 2051 N TYR B 72 7.551 0.494 -1.342 1.00 0.00 N ATOM 2052 CA TYR B 72 7.438 1.775 -0.676 1.00 0.00 C ATOM 2053 C TYR B 72 6.162 1.827 0.149 1.00 0.00 C ATOM 2054 O TYR B 72 5.212 1.089 -0.108 1.00 0.00 O ATOM 2055 CB TYR B 72 7.485 2.932 -1.685 1.00 0.00 C ATOM 2056 CG TYR B 72 6.466 2.839 -2.802 1.00 0.00 C ATOM 2057 CD1 TYR B 72 5.197 3.387 -2.661 1.00 0.00 C ATOM 2058 CD2 TYR B 72 6.779 2.211 -4.001 1.00 0.00 C ATOM 2059 CE1 TYR B 72 4.270 3.311 -3.682 1.00 0.00 C ATOM 2060 CE2 TYR B 72 5.856 2.130 -5.026 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.605 2.681 -4.862 1.00 0.00 C ATOM 2062 OH TYR B 72 3.684 2.603 -5.880 1.00 0.00 O ATOM 0 H TYR B 72 6.690 0.165 -1.778 1.00 0.00 H new ATOM 0 HA TYR B 72 8.290 1.888 -0.006 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.333 3.869 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.482 2.974 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR B 72 4.931 3.880 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR B 72 7.760 1.779 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR B 72 3.288 3.743 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR B 72 6.115 1.637 -5.951 1.00 0.00 H new ATOM 0 HH TYR B 72 4.078 2.129 -6.642 1.00 0.00 H new ATOM 2072 N HIS B 73 6.158 2.688 1.148 1.00 0.00 N ATOM 2073 CA HIS B 73 5.016 2.829 2.038 1.00 0.00 C ATOM 2074 C HIS B 73 4.742 4.298 2.319 1.00 0.00 C ATOM 2075 O HIS B 73 5.540 4.961 2.976 1.00 0.00 O ATOM 2076 CB HIS B 73 5.279 2.084 3.352 1.00 0.00 C ATOM 2077 CG HIS B 73 4.258 2.342 4.419 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.553 2.996 5.598 1.00 0.00 N ATOM 2079 CD2 HIS B 73 2.940 2.034 4.483 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.464 3.078 6.337 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.470 2.503 5.685 1.00 0.00 N ATOM 0 H HIS B 73 6.939 3.307 1.367 1.00 0.00 H new ATOM 0 HA HIS B 73 4.141 2.397 1.553 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.314 1.014 3.149 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.261 2.369 3.728 1.00 0.00 H new ATOM 0 HD1 HIS B 73 5.470 3.359 5.857 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.366 1.516 3.729 1.00 0.00 H new ATOM 0 HE1 HIS B 73 3.396 3.538 7.312 1.00 0.00 H new ATOM 2090 N ILE B 74 3.627 4.806 1.818 1.00 0.00 N ATOM 2091 CA ILE B 74 3.246 6.184 2.082 1.00 0.00 C ATOM 2092 C ILE B 74 2.865 6.344 3.550 1.00 0.00 C ATOM 2093 O ILE B 74 2.119 5.530 4.097 1.00 0.00 O ATOM 2094 CB ILE B 74 2.067 6.635 1.191 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.426 6.484 -0.289 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.684 8.078 1.497 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.295 6.851 -1.228 1.00 0.00 C ATOM 0 H ILE B 74 2.974 4.288 1.230 1.00 0.00 H new ATOM 0 HA ILE B 74 4.104 6.814 1.848 1.00 0.00 H new ATOM 0 HB ILE B 74 1.211 5.997 1.409 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.289 7.112 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.724 5.453 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.852 8.377 0.859 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.388 8.162 2.543 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.538 8.729 1.308 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.622 6.720 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.437 6.207 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE B 74 1.011 7.891 -1.067 1.00 0.00 H new ATOM 2109 N ILE B 75 3.402 7.372 4.189 1.00 0.00 N ATOM 2110 CA ILE B 75 3.060 7.666 5.574 1.00 0.00 C ATOM 2111 C ILE B 75 2.242 8.946 5.666 1.00 0.00 C ATOM 2112 O ILE B 75 1.412 9.102 6.563 1.00 0.00 O ATOM 2113 CB ILE B 75 4.312 7.795 6.470 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.326 8.768 5.859 1.00 0.00 C ATOM 2115 CG2 ILE B 75 4.939 6.429 6.694 1.00 0.00 C ATOM 2116 CD1 ILE B 75 6.554 8.988 6.717 1.00 0.00 C ATOM 0 H ILE B 75 4.075 8.016 3.773 1.00 0.00 H new ATOM 0 HA ILE B 75 2.469 6.825 5.935 1.00 0.00 H new ATOM 0 HB ILE B 75 4.006 8.198 7.435 1.00 0.00 H new ATOM 0 HG12 ILE B 75 5.637 8.390 4.885 1.00 0.00 H new ATOM 0 HG13 ILE B 75 4.837 9.727 5.687 1.00 0.00 H new ATOM 0 HG21 ILE B 75 5.820 6.533 7.327 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.218 5.773 7.181 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.229 6.000 5.735 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.225 9.688 6.219 1.00 0.00 H new ATOM 0 HD12 ILE B 75 6.255 9.396 7.682 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.067 8.038 6.868 1.00 0.00 H new ATOM 2128 N ALA B 76 2.468 9.853 4.726 1.00 0.00 N ATOM 2129 CA ALA B 76 1.774 11.128 4.723 1.00 0.00 C ATOM 2130 C ALA B 76 1.601 11.654 3.306 1.00 0.00 C ATOM 2131 O ALA B 76 2.567 12.045 2.658 1.00 0.00 O ATOM 2132 CB ALA B 76 2.525 12.142 5.574 1.00 0.00 C ATOM 0 H ALA B 76 3.126 9.727 3.957 1.00 0.00 H new ATOM 0 HA ALA B 76 0.783 10.974 5.151 1.00 0.00 H new ATOM 0 HB1 ALA B 76 1.992 13.093 5.562 1.00 0.00 H new ATOM 0 HB2 ALA B 76 2.593 11.777 6.599 1.00 0.00 H new ATOM 0 HB3 ALA B 76 3.528 12.283 5.172 1.00 0.00 H new ATOM 2138 N ALA B 77 0.372 11.634 2.826 1.00 0.00 N ATOM 2139 CA ALA B 77 0.033 12.242 1.551 1.00 0.00 C ATOM 2140 C ALA B 77 -1.060 13.268 1.780 1.00 0.00 C ATOM 2141 O ALA B 77 -2.249 12.947 1.766 1.00 0.00 O ATOM 2142 CB ALA B 77 -0.397 11.195 0.531 1.00 0.00 C ATOM 0 H ALA B 77 -0.416 11.199 3.305 1.00 0.00 H new ATOM 0 HA ALA B 77 0.915 12.734 1.139 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.643 11.685 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.417 10.488 0.371 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -1.272 10.663 0.903 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.647 14.497 2.028 1.00 0.00 N ATOM 2149 CA ARG B 78 -1.565 15.529 2.474 1.00 0.00 C ATOM 2150 C ARG B 78 -1.586 16.719 1.532 1.00 0.00 C ATOM 2151 O ARG B 78 -0.710 16.881 0.680 1.00 0.00 O ATOM 2152 CB ARG B 78 -1.201 16.000 3.884 1.00 0.00 C ATOM 2153 CG ARG B 78 0.275 16.324 4.060 1.00 0.00 C ATOM 2154 CD ARG B 78 0.483 17.527 4.965 1.00 0.00 C ATOM 2155 NE ARG B 78 -0.262 17.426 6.218 1.00 0.00 N ATOM 2156 CZ ARG B 78 -0.235 18.352 7.174 1.00 0.00 C ATOM 2157 NH1 ARG B 78 0.568 19.406 7.063 1.00 0.00 N ATOM 2158 NH2 ARG B 78 -0.994 18.209 8.251 1.00 0.00 N ATOM 0 H ARG B 78 0.320 14.806 1.928 1.00 0.00 H new ATOM 0 HA ARG B 78 -2.561 15.086 2.482 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -1.789 16.886 4.125 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -1.482 15.227 4.599 1.00 0.00 H new ATOM 0 HG2 ARG B 78 0.790 15.460 4.480 1.00 0.00 H new ATOM 0 HG3 ARG B 78 0.723 16.520 3.086 1.00 0.00 H new ATOM 0 HD2 ARG B 78 1.545 17.631 5.186 1.00 0.00 H new ATOM 0 HD3 ARG B 78 0.178 18.431 4.437 1.00 0.00 H new ATOM 0 HE ARG B 78 -0.837 16.597 6.369 1.00 0.00 H new ATOM 0 HH11 ARG B 78 1.166 19.507 6.243 1.00 0.00 H new ATOM 0 HH12 ARG B 78 0.586 20.113 7.798 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -1.596 17.391 8.345 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -0.976 18.917 8.985 1.00 0.00 H new ATOM 2172 N GLU B 79 -2.591 17.553 1.720 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.776 18.743 0.919 1.00 0.00 C ATOM 2174 C GLU B 79 -2.123 19.935 1.618 1.00 0.00 C ATOM 2175 O GLU B 79 -2.589 20.384 2.665 1.00 0.00 O ATOM 2176 CB GLU B 79 -4.273 18.974 0.732 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.638 19.810 -0.476 1.00 0.00 C ATOM 2178 CD GLU B 79 -6.139 19.926 -0.635 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.779 18.928 -1.028 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -6.690 21.000 -0.326 1.00 0.00 O ATOM 0 H GLU B 79 -3.304 17.421 2.437 1.00 0.00 H new ATOM 0 HA GLU B 79 -2.308 18.624 -0.058 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.769 18.007 0.651 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.666 19.460 1.625 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.203 20.805 -0.377 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -4.209 19.363 -1.373 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.032 20.427 1.047 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.275 21.524 1.646 1.00 0.00 C ATOM 2189 C HIS B 80 -0.610 22.826 0.927 1.00 0.00 C ATOM 2190 O HIS B 80 0.254 23.449 0.309 1.00 0.00 O ATOM 2191 CB HIS B 80 1.232 21.229 1.555 1.00 0.00 C ATOM 2192 CG HIS B 80 2.119 22.130 2.376 1.00 0.00 C ATOM 2193 ND1 HIS B 80 3.429 21.816 2.677 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.893 23.341 2.943 1.00 0.00 C ATOM 2195 CE1 HIS B 80 3.963 22.790 3.387 1.00 0.00 C ATOM 2196 NE2 HIS B 80 3.054 23.730 3.563 1.00 0.00 N ATOM 0 H HIS B 80 -0.648 20.084 0.166 1.00 0.00 H new ATOM 0 HA HIS B 80 -0.545 21.623 2.697 1.00 0.00 H new ATOM 0 HB2 HIS B 80 1.402 20.198 1.866 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.537 21.301 0.511 1.00 0.00 H new ATOM 0 HD1 HIS B 80 3.910 20.962 2.394 1.00 0.00 H new ATOM 0 HD2 HIS B 80 0.968 23.898 2.912 1.00 0.00 H new ATOM 0 HE1 HIS B 80 4.976 22.814 3.762 1.00 0.00 H new ATOM 2205 N GLY B 81 -1.875 23.209 0.979 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.303 24.417 0.312 1.00 0.00 C ATOM 2207 C GLY B 81 -2.362 24.222 -1.186 1.00 0.00 C ATOM 2208 O GLY B 81 -3.102 23.367 -1.669 1.00 0.00 O ATOM 0 H GLY B 81 -2.612 22.705 1.471 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.285 24.712 0.682 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -1.616 25.229 0.549 1.00 0.00 H new ATOM 2212 N PRO B 82 -1.575 24.995 -1.947 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.453 24.827 -3.391 1.00 0.00 C ATOM 2214 C PRO B 82 -0.462 23.720 -3.750 1.00 0.00 C ATOM 2215 O PRO B 82 -0.224 23.437 -4.922 1.00 0.00 O ATOM 2216 CB PRO B 82 -0.930 26.190 -3.877 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.791 27.047 -2.654 1.00 0.00 C ATOM 2218 CD PRO B 82 -0.760 26.116 -1.477 1.00 0.00 C ATOM 0 HA PRO B 82 -2.398 24.538 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO B 82 0.028 26.080 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -1.620 26.640 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.121 27.643 -2.700 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.624 27.745 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO B 82 0.255 25.806 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -1.179 26.577 -0.582 1.00 0.00 H new ATOM 2226 N ASN B 83 0.122 23.105 -2.728 1.00 0.00 N ATOM 2227 CA ASN B 83 1.091 22.038 -2.929 1.00 0.00 C ATOM 2228 C ASN B 83 0.533 20.705 -2.455 1.00 0.00 C ATOM 2229 O ASN B 83 -0.403 20.656 -1.654 1.00 0.00 O ATOM 2230 CB ASN B 83 2.402 22.339 -2.189 1.00 0.00 C ATOM 2231 CG ASN B 83 3.169 23.517 -2.766 1.00 0.00 C ATOM 2232 OD1 ASN B 83 3.852 24.238 -2.039 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.078 23.718 -4.073 1.00 0.00 N ATOM 0 H ASN B 83 -0.060 23.329 -1.750 1.00 0.00 H new ATOM 0 HA ASN B 83 1.296 21.977 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.180 22.539 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.037 21.454 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN B 83 3.584 24.490 -4.507 1.00 0.00 H new ATOM 0 HD22 ASN B 83 2.502 23.100 -4.645 1.00 0.00 H new ATOM 2240 N PHE B 84 1.107 19.629 -2.961 1.00 0.00 N ATOM 2241 CA PHE B 84 0.723 18.288 -2.560 1.00 0.00 C ATOM 2242 C PHE B 84 1.939 17.549 -2.018 1.00 0.00 C ATOM 2243 O PHE B 84 2.968 17.468 -2.687 1.00 0.00 O ATOM 2244 CB PHE B 84 0.121 17.531 -3.748 1.00 0.00 C ATOM 2245 CG PHE B 84 -0.284 16.120 -3.427 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.434 15.864 -2.696 1.00 0.00 C ATOM 2247 CD2 PHE B 84 0.484 15.051 -3.857 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.810 14.567 -2.402 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.114 13.754 -3.566 1.00 0.00 C ATOM 2250 CZ PHE B 84 -1.035 13.511 -2.837 1.00 0.00 C ATOM 0 H PHE B 84 1.850 19.659 -3.659 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.032 18.351 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.751 18.076 -4.110 1.00 0.00 H new ATOM 0 HB3 PHE B 84 0.846 17.515 -4.561 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -2.043 16.687 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.383 15.235 -4.427 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.709 14.380 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE B 84 0.722 12.929 -3.908 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.326 12.496 -2.608 1.00 0.00 H new ATOM 2260 N GLU B 85 1.816 17.015 -0.811 1.00 0.00 N ATOM 2261 CA GLU B 85 2.936 16.371 -0.139 1.00 0.00 C ATOM 2262 C GLU B 85 2.744 14.864 -0.108 1.00 0.00 C ATOM 2263 O GLU B 85 1.890 14.362 0.623 1.00 0.00 O ATOM 2264 CB GLU B 85 3.053 16.880 1.298 1.00 0.00 C ATOM 2265 CG GLU B 85 2.941 18.386 1.433 1.00 0.00 C ATOM 2266 CD GLU B 85 4.183 19.128 0.987 1.00 0.00 C ATOM 2267 OE1 GLU B 85 4.405 19.257 -0.229 1.00 0.00 O ATOM 2268 OE2 GLU B 85 4.922 19.622 1.864 1.00 0.00 O ATOM 0 H GLU B 85 0.948 17.015 -0.275 1.00 0.00 H new ATOM 0 HA GLU B 85 3.844 16.611 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.275 16.413 1.902 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.010 16.559 1.709 1.00 0.00 H new ATOM 0 HG2 GLU B 85 2.090 18.733 0.846 1.00 0.00 H new ATOM 0 HG3 GLU B 85 2.733 18.635 2.474 1.00 0.00 H new ATOM 2275 N ALA B 86 3.520 14.144 -0.900 1.00 0.00 N ATOM 2276 CA ALA B 86 3.491 12.692 -0.864 1.00 0.00 C ATOM 2277 C ALA B 86 4.771 12.158 -0.237 1.00 0.00 C ATOM 2278 O ALA B 86 5.822 12.133 -0.873 1.00 0.00 O ATOM 2279 CB ALA B 86 3.301 12.126 -2.263 1.00 0.00 C ATOM 0 H ALA B 86 4.176 14.540 -1.574 1.00 0.00 H new ATOM 0 HA ALA B 86 2.646 12.375 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.282 11.037 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.360 12.488 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.125 12.447 -2.900 1.00 0.00 H new ATOM 2285 N VAL B 87 4.683 11.740 1.014 1.00 0.00 N ATOM 2286 CA VAL B 87 5.841 11.246 1.741 1.00 0.00 C ATOM 2287 C VAL B 87 5.735 9.741 1.957 1.00 0.00 C ATOM 2288 O VAL B 87 4.785 9.256 2.585 1.00 0.00 O ATOM 2289 CB VAL B 87 5.992 11.951 3.108 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.274 11.519 3.802 1.00 0.00 C ATOM 2291 CG2 VAL B 87 5.958 13.463 2.939 1.00 0.00 C ATOM 0 H VAL B 87 3.816 11.733 1.551 1.00 0.00 H new ATOM 0 HA VAL B 87 6.722 11.466 1.138 1.00 0.00 H new ATOM 0 HB VAL B 87 5.151 11.656 3.735 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.358 12.029 4.762 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.255 10.441 3.964 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.130 11.777 3.178 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.066 13.940 3.913 1.00 0.00 H new ATOM 0 HG22 VAL B 87 6.776 13.775 2.289 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.008 13.758 2.493 1.00 0.00 H new ATOM 2301 N ALA B 88 6.705 9.009 1.434 1.00 0.00 N ATOM 2302 CA ALA B 88 6.708 7.561 1.531 1.00 0.00 C ATOM 2303 C ALA B 88 8.052 7.047 2.033 1.00 0.00 C ATOM 2304 O ALA B 88 9.062 7.747 1.967 1.00 0.00 O ATOM 2305 CB ALA B 88 6.379 6.944 0.179 1.00 0.00 C ATOM 0 H ALA B 88 7.505 9.398 0.935 1.00 0.00 H new ATOM 0 HA ALA B 88 5.944 7.267 2.251 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.384 5.857 0.264 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.393 7.278 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.124 7.254 -0.554 1.00 0.00 H new ATOM 2311 N GLU B 89 8.053 5.823 2.527 1.00 0.00 N ATOM 2312 CA GLU B 89 9.269 5.182 2.998 1.00 0.00 C ATOM 2313 C GLU B 89 9.768 4.204 1.946 1.00 0.00 C ATOM 2314 O GLU B 89 8.971 3.505 1.321 1.00 0.00 O ATOM 2315 CB GLU B 89 9.003 4.412 4.292 1.00 0.00 C ATOM 2316 CG GLU B 89 8.348 5.228 5.390 1.00 0.00 C ATOM 2317 CD GLU B 89 8.017 4.382 6.602 1.00 0.00 C ATOM 2318 OE1 GLU B 89 8.919 4.160 7.441 1.00 0.00 O ATOM 2319 OE2 GLU B 89 6.860 3.909 6.710 1.00 0.00 O ATOM 0 H GLU B 89 7.216 5.247 2.613 1.00 0.00 H new ATOM 0 HA GLU B 89 10.016 5.954 3.184 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.368 3.556 4.066 1.00 0.00 H new ATOM 0 HB3 GLU B 89 9.948 4.018 4.665 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.013 6.040 5.685 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.436 5.686 5.007 1.00 0.00 H new ATOM 2326 N VAL B 90 11.074 4.158 1.751 1.00 0.00 N ATOM 2327 CA VAL B 90 11.668 3.216 0.817 1.00 0.00 C ATOM 2328 C VAL B 90 12.095 1.954 1.547 1.00 0.00 C ATOM 2329 O VAL B 90 12.973 1.993 2.413 1.00 0.00 O ATOM 2330 CB VAL B 90 12.882 3.823 0.085 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.540 2.796 -0.832 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.458 5.050 -0.704 1.00 0.00 C ATOM 0 H VAL B 90 11.744 4.762 2.227 1.00 0.00 H new ATOM 0 HA VAL B 90 10.910 2.974 0.072 1.00 0.00 H new ATOM 0 HB VAL B 90 13.617 4.123 0.832 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.393 3.251 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.879 1.945 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.819 2.457 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL B 90 13.323 5.470 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.703 4.768 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL B 90 12.043 5.794 -0.024 1.00 0.00 H new ATOM 2342 N TYR B 91 11.461 0.846 1.209 1.00 0.00 N ATOM 2343 CA TYR B 91 11.777 -0.428 1.820 1.00 0.00 C ATOM 2344 C TYR B 91 12.423 -1.363 0.812 1.00 0.00 C ATOM 2345 O TYR B 91 11.944 -1.522 -0.314 1.00 0.00 O ATOM 2346 CB TYR B 91 10.524 -1.078 2.403 1.00 0.00 C ATOM 2347 CG TYR B 91 10.005 -0.401 3.652 1.00 0.00 C ATOM 2348 CD1 TYR B 91 10.708 -0.484 4.846 1.00 0.00 C ATOM 2349 CD2 TYR B 91 8.808 0.302 3.643 1.00 0.00 C ATOM 2350 CE1 TYR B 91 10.233 0.112 5.998 1.00 0.00 C ATOM 2351 CE2 TYR B 91 8.328 0.905 4.792 1.00 0.00 C ATOM 2352 CZ TYR B 91 9.045 0.807 5.965 1.00 0.00 C ATOM 2353 OH TYR B 91 8.561 1.394 7.114 1.00 0.00 O ATOM 0 H TYR B 91 10.720 0.805 0.510 1.00 0.00 H new ATOM 0 HA TYR B 91 12.483 -0.243 2.630 1.00 0.00 H new ATOM 0 HB2 TYR B 91 9.739 -1.073 1.647 1.00 0.00 H new ATOM 0 HB3 TYR B 91 10.741 -2.122 2.631 1.00 0.00 H new ATOM 0 HD1 TYR B 91 11.643 -1.024 4.875 1.00 0.00 H new ATOM 0 HD2 TYR B 91 8.243 0.379 2.726 1.00 0.00 H new ATOM 0 HE1 TYR B 91 10.791 0.033 6.920 1.00 0.00 H new ATOM 0 HE2 TYR B 91 7.396 1.450 4.770 1.00 0.00 H new ATOM 0 HH TYR B 91 9.310 1.650 7.691 1.00 0.00 H new ATOM 2363 N ASN B 92 13.521 -1.966 1.218 1.00 0.00 N ATOM 2364 CA ASN B 92 14.215 -2.928 0.382 1.00 0.00 C ATOM 2365 C ASN B 92 14.530 -4.170 1.207 1.00 0.00 C ATOM 2366 O ASN B 92 14.416 -4.144 2.433 1.00 0.00 O ATOM 2367 CB ASN B 92 15.493 -2.297 -0.189 1.00 0.00 C ATOM 2368 CG ASN B 92 16.196 -3.178 -1.206 1.00 0.00 C ATOM 2369 OD1 ASN B 92 15.569 -4.000 -1.880 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.498 -2.993 -1.344 1.00 0.00 N ATOM 0 H ASN B 92 13.955 -1.807 2.127 1.00 0.00 H new ATOM 0 HA ASN B 92 13.584 -3.219 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN B 92 15.242 -1.344 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.180 -2.080 0.629 1.00 0.00 H new ATOM 0 HD21 ASN B 92 18.021 -3.540 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.979 -2.303 -0.767 1.00 0.00 H new ATOM 2377 N ASP B 93 14.899 -5.254 0.541 1.00 0.00 N ATOM 2378 CA ASP B 93 15.226 -6.497 1.230 1.00 0.00 C ATOM 2379 C ASP B 93 16.579 -6.352 1.923 1.00 0.00 C ATOM 2380 O ASP B 93 17.228 -5.308 1.825 1.00 0.00 O ATOM 2381 CB ASP B 93 15.257 -7.666 0.234 1.00 0.00 C ATOM 2382 CG ASP B 93 14.934 -9.008 0.875 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.760 -9.526 1.654 1.00 0.00 O ATOM 2384 OD2 ASP B 93 13.851 -9.561 0.583 1.00 0.00 O ATOM 0 H ASP B 93 14.980 -5.300 -0.475 1.00 0.00 H new ATOM 0 HA ASP B 93 14.461 -6.706 1.978 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.543 -7.472 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP B 93 16.244 -7.718 -0.225 1.00 0.00 H new ATOM 2389 N ALA B 94 17.017 -7.397 2.604 1.00 0.00 N ATOM 2390 CA ALA B 94 18.282 -7.366 3.323 1.00 0.00 C ATOM 2391 C ALA B 94 19.445 -7.624 2.368 1.00 0.00 C ATOM 2392 O ALA B 94 20.306 -8.464 2.632 1.00 0.00 O ATOM 2393 CB ALA B 94 18.271 -8.387 4.450 1.00 0.00 C ATOM 0 H ALA B 94 16.514 -8.281 2.675 1.00 0.00 H new ATOM 0 HA ALA B 94 18.414 -6.375 3.758 1.00 0.00 H new ATOM 0 HB1 ALA B 94 19.223 -8.354 4.980 1.00 0.00 H new ATOM 0 HB2 ALA B 94 17.462 -8.156 5.143 1.00 0.00 H new ATOM 0 HB3 ALA B 94 18.121 -9.384 4.036 1.00 0.00 H new