USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1510 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 90 HIS : no HD1:sc=-0.00594 K(o=-0.0059,f=0.66) USER MOD Set 2.1: A 72 GLN : amide:sc= 0.578 K(o=1.2,f=-3.7) USER MOD Set 2.2: B 83 LYS NZ :NH3+ 156:sc= 0.66 (180deg=0) USER MOD Set 3.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 HIS : no HD1:sc=-0.00818 K(o=-0.0082,f=0.63) USER MOD Set 4.1: A 83 LYS NZ :NH3+ 157:sc= 0.637 (180deg=0) USER MOD Set 4.2: B 72 GLN : amide:sc= 0.577 K(o=1.2,f=-3.7) USER MOD Set 5.1: A 13 ASN : amide:sc= -0.234 X(o=4,f=3.7) USER MOD Set 5.2: A 17 GLN : amide:sc= 0.754 K(o=4,f=-2.7) USER MOD Set 5.3: B 1 MET N :NH3+ -170:sc= 2.22 (180deg=0.765) USER MOD Set 5.4: B 2 THR OG1 : rot 75:sc= 1.27 USER MOD Set 6.1: A 1 MET N :NH3+ -176:sc= 2.02 (180deg=0.756) USER MOD Set 6.2: A 2 THR OG1 : rot 75:sc= 1.26 USER MOD Set 6.3: B 13 ASN : amide:sc= -0.216 X(o=3.9,f=3.6) USER MOD Set 6.4: B 17 GLN : amide:sc= 0.827 K(o=3.9,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0.858 K(o=0.86,f=-5.6!) USER MOD Single : A 16 HIS : no HD1:sc= -1.04 K(o=-1,f=0.3) USER MOD Single : A 18 TYR OH : rot -124:sc= 0.57 USER MOD Single : A 19 SER OG : rot 145:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0105 (180deg=-0.191) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 101:sc= 1.23 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= 0.579 (180deg=-0.704!) USER MOD Single : A 34 LYS NZ :NH3+ -163:sc= -0.0537 (180deg=-0.307) USER MOD Single : A 35 GLN : amide:sc= -0.899 K(o=-0.9,f=0) USER MOD Single : A 38 THR OG1 : rot -91:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= -0.469 (180deg=-1.81) USER MOD Single : A 43 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -0.0274 (180deg=-0.138) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0502 (180deg=-0.332) USER MOD Single : A 59 GLN : amide:sc= -0.849 K(o=-0.85,f=-0.013) USER MOD Single : A 64 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= -0.0782 K(o=-0.078,f=-0.6) USER MOD Single : A 68 GLN : amide:sc= -0.044 K(o=-0.044,f=-0.75) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -4.82! C(o=-4.8!,f=-6.4!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.979 K(o=0.98,f=-4.9!) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc=-0.00679 (180deg=-0.117) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= 0.884 K(o=0.88,f=-5.4!) USER MOD Single : B 16 HIS : no HD1:sc= -1.03 K(o=-1,f=0.3) USER MOD Single : B 18 TYR OH : rot -126:sc= 0.581 USER MOD Single : B 19 SER OG : rot 149:sc= 1.21 USER MOD Single : B 22 LYS NZ :NH3+ 168:sc= -0.0213 (180deg=-0.179) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 27 THR OG1 : rot 85:sc= 1.07 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -127:sc= 0.551 (180deg=-0.637!) USER MOD Single : B 34 LYS NZ :NH3+ -165:sc= -0.0403 (180deg=-0.329) USER MOD Single : B 35 GLN : amide:sc= -0.991 K(o=-0.99,f=0) USER MOD Single : B 38 THR OG1 : rot -90:sc= 1.25 USER MOD Single : B 39 LYS NZ :NH3+ 144:sc= -0.472 (180deg=-1.83) USER MOD Single : B 43 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.6) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : B 49 LYS NZ :NH3+ 173:sc= -0.025 (180deg=-0.111) USER MOD Single : B 51 LYS NZ :NH3+ -165:sc= -0.0493 (180deg=-0.363) USER MOD Single : B 59 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.0098) USER MOD Single : B 64 ASN : amide:sc= -0.332 K(o=-0.33,f=-1.1) USER MOD Single : B 65 GLN : amide:sc= -0.0862 K(o=-0.086,f=-0.59) USER MOD Single : B 68 GLN : amide:sc= -0.0411 K(o=-0.041,f=-0.75) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 86 HIS : no HE2:sc= -4.8! C(o=-4.8!,f=-6.4!) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.899 K(o=0.9,f=-4.8!) USER MOD Single : B 91 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.655 -0.346 12.814 1.00 4.69 N ATOM 2 CA MET A 1 -11.673 0.758 12.889 1.00 4.21 C ATOM 3 C MET A 1 -10.412 0.277 13.593 1.00 3.60 C ATOM 4 O MET A 1 -10.477 -0.589 14.468 1.00 4.04 O ATOM 5 CB MET A 1 -12.267 1.965 13.633 1.00 4.50 C ATOM 6 CG MET A 1 -12.401 1.782 15.141 1.00 5.00 C ATOM 7 SD MET A 1 -13.527 0.453 15.604 1.00 5.79 S ATOM 8 CE MET A 1 -13.452 0.558 17.391 1.00 6.42 C ATOM 0 H1 MET A 1 -13.487 -0.034 12.273 1.00 4.69 H new ATOM 0 H2 MET A 1 -12.222 -1.165 12.341 1.00 4.69 H new ATOM 0 H3 MET A 1 -12.948 -0.616 13.775 1.00 4.69 H new ATOM 0 HA MET A 1 -11.422 1.071 11.876 1.00 4.21 H new ATOM 0 HB2 MET A 1 -11.641 2.837 13.441 1.00 4.50 H new ATOM 0 HB3 MET A 1 -13.251 2.182 13.218 1.00 4.50 H new ATOM 0 HG2 MET A 1 -11.417 1.578 15.564 1.00 5.00 H new ATOM 0 HG3 MET A 1 -12.751 2.715 15.583 1.00 5.00 H new ATOM 0 HE1 MET A 1 -14.098 -0.203 17.828 1.00 6.42 H new ATOM 0 HE2 MET A 1 -12.426 0.397 17.722 1.00 6.42 H new ATOM 0 HE3 MET A 1 -13.786 1.545 17.712 1.00 6.42 H new ATOM 20 N THR A 2 -9.270 0.823 13.203 1.00 3.06 N ATOM 21 CA THR A 2 -8.004 0.396 13.773 1.00 2.90 C ATOM 22 C THR A 2 -7.274 1.559 14.444 1.00 2.45 C ATOM 23 O THR A 2 -7.377 1.749 15.654 1.00 3.04 O ATOM 24 CB THR A 2 -7.100 -0.228 12.698 1.00 3.67 C ATOM 25 OG1 THR A 2 -7.907 -0.918 11.738 1.00 4.25 O ATOM 26 CG2 THR A 2 -6.107 -1.200 13.320 1.00 4.23 C ATOM 0 H THR A 2 -9.195 1.557 12.499 1.00 3.06 H new ATOM 0 HA THR A 2 -8.229 -0.356 14.529 1.00 2.90 H new ATOM 0 HB THR A 2 -6.542 0.570 12.209 1.00 3.67 H new ATOM 0 HG1 THR A 2 -8.352 -0.267 11.157 1.00 4.25 H new ATOM 0 HG21 THR A 2 -5.479 -1.628 12.539 1.00 4.23 H new ATOM 0 HG22 THR A 2 -5.482 -0.671 14.039 1.00 4.23 H new ATOM 0 HG23 THR A 2 -6.649 -1.998 13.828 1.00 4.23 H new ATOM 34 N LYS A 3 -6.542 2.340 13.655 1.00 2.16 N ATOM 35 CA LYS A 3 -5.778 3.456 14.196 1.00 2.53 C ATOM 36 C LYS A 3 -6.185 4.756 13.517 1.00 2.08 C ATOM 37 O LYS A 3 -6.955 5.538 14.075 1.00 2.81 O ATOM 38 CB LYS A 3 -4.274 3.224 13.996 1.00 3.53 C ATOM 39 CG LYS A 3 -3.726 2.000 14.715 1.00 4.29 C ATOM 40 CD LYS A 3 -3.709 2.192 16.223 1.00 5.38 C ATOM 41 CE LYS A 3 -3.099 0.989 16.924 1.00 5.97 C ATOM 42 NZ LYS A 3 -2.990 1.195 18.391 1.00 6.05 N ATOM 0 H LYS A 3 -6.463 2.221 12.645 1.00 2.16 H new ATOM 0 HA LYS A 3 -5.990 3.527 15.263 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -4.073 3.124 12.929 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -3.734 4.105 14.341 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -4.334 1.130 14.466 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -2.715 1.794 14.363 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -3.140 3.088 16.472 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -4.726 2.349 16.584 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -3.708 0.107 16.726 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -2.110 0.792 16.511 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -2.569 0.351 18.830 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -2.388 2.021 18.582 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -3.937 1.357 18.790 1.00 6.05 H new ATOM 56 N LEU A 4 -5.685 4.936 12.289 1.00 1.61 N ATOM 57 CA LEU A 4 -5.955 6.113 11.461 1.00 1.98 C ATOM 58 C LEU A 4 -4.921 6.192 10.340 1.00 1.51 C ATOM 59 O LEU A 4 -5.142 5.700 9.236 1.00 2.03 O ATOM 60 CB LEU A 4 -5.916 7.415 12.280 1.00 3.02 C ATOM 61 CG LEU A 4 -6.309 8.685 11.520 1.00 3.80 C ATOM 62 CD1 LEU A 4 -7.765 8.626 11.082 1.00 4.50 C ATOM 63 CD2 LEU A 4 -6.061 9.913 12.381 1.00 4.44 C ATOM 0 H LEU A 4 -5.072 4.257 11.837 1.00 1.61 H new ATOM 0 HA LEU A 4 -6.959 6.007 11.049 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -6.581 7.305 13.136 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -4.908 7.546 12.674 1.00 3.02 H new ATOM 0 HG LEU A 4 -5.689 8.755 10.626 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -8.020 9.539 10.544 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -7.914 7.766 10.429 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -8.405 8.530 11.959 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -6.345 10.808 11.828 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -6.656 9.845 13.292 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -5.004 9.967 12.642 1.00 4.44 H new ATOM 75 N GLU A 5 -3.763 6.758 10.654 1.00 1.20 N ATOM 76 CA GLU A 5 -2.722 6.984 9.659 1.00 0.93 C ATOM 77 C GLU A 5 -1.562 6.002 9.805 1.00 0.69 C ATOM 78 O GLU A 5 -0.763 5.852 8.887 1.00 0.68 O ATOM 79 CB GLU A 5 -2.208 8.429 9.738 1.00 1.39 C ATOM 80 CG GLU A 5 -2.275 9.058 11.126 1.00 1.80 C ATOM 81 CD GLU A 5 -1.561 8.250 12.193 1.00 2.48 C ATOM 82 OE1 GLU A 5 -0.335 8.413 12.352 1.00 3.10 O ATOM 83 OE2 GLU A 5 -2.234 7.453 12.880 1.00 3.00 O ATOM 0 H GLU A 5 -3.520 7.070 11.594 1.00 1.20 H new ATOM 0 HA GLU A 5 -3.171 6.816 8.680 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -1.174 8.451 9.394 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -2.786 9.043 9.048 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -1.839 10.056 11.085 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.320 9.178 11.411 1.00 1.80 H new ATOM 90 N GLU A 6 -1.490 5.331 10.956 1.00 0.68 N ATOM 91 CA GLU A 6 -0.410 4.382 11.255 1.00 0.67 C ATOM 92 C GLU A 6 -0.118 3.444 10.080 1.00 0.54 C ATOM 93 O GLU A 6 1.033 3.164 9.773 1.00 0.60 O ATOM 94 CB GLU A 6 -0.771 3.562 12.500 1.00 0.78 C ATOM 95 CG GLU A 6 0.245 2.483 12.858 1.00 1.07 C ATOM 96 CD GLU A 6 1.626 3.042 13.143 1.00 1.79 C ATOM 97 OE1 GLU A 6 1.788 3.741 14.164 1.00 2.48 O ATOM 98 OE2 GLU A 6 2.559 2.770 12.355 1.00 2.51 O ATOM 0 H GLU A 6 -2.175 5.428 11.706 1.00 0.68 H new ATOM 0 HA GLU A 6 0.494 4.962 11.439 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -0.878 4.239 13.348 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.742 3.092 12.342 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.107 1.936 13.732 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.311 1.767 12.039 1.00 1.07 H new ATOM 105 N HIS A 7 -1.160 2.983 9.405 1.00 0.42 N ATOM 106 CA HIS A 7 -0.986 2.042 8.308 1.00 0.38 C ATOM 107 C HIS A 7 -0.302 2.713 7.118 1.00 0.35 C ATOM 108 O HIS A 7 0.815 2.356 6.756 1.00 0.39 O ATOM 109 CB HIS A 7 -2.332 1.437 7.891 1.00 0.43 C ATOM 110 CG HIS A 7 -2.888 0.468 8.895 1.00 0.95 C ATOM 111 ND1 HIS A 7 -4.240 0.259 9.088 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.255 -0.355 9.764 1.00 1.60 C ATOM 113 CE1 HIS A 7 -4.410 -0.652 10.035 1.00 2.16 C ATOM 114 NE2 HIS A 7 -3.220 -1.036 10.457 1.00 2.03 N ATOM 0 H HIS A 7 -2.128 3.242 9.595 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.343 1.233 8.656 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -3.051 2.241 7.737 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -2.212 0.929 6.934 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -1.187 -0.456 9.888 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -5.359 -1.017 10.399 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.047 -1.730 11.184 1.00 2.03 H new ATOM 123 N LEU A 8 -0.966 3.706 6.547 1.00 0.34 N ATOM 124 CA LEU A 8 -0.466 4.407 5.367 1.00 0.32 C ATOM 125 C LEU A 8 0.769 5.226 5.689 1.00 0.33 C ATOM 126 O LEU A 8 1.847 5.005 5.135 1.00 0.33 O ATOM 127 CB LEU A 8 -1.548 5.333 4.846 1.00 0.33 C ATOM 128 CG LEU A 8 -2.876 4.642 4.558 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.935 5.660 4.205 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.718 3.615 3.446 1.00 0.33 C ATOM 0 H LEU A 8 -1.865 4.051 6.885 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.198 3.663 4.617 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.714 6.126 5.575 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.194 5.810 3.932 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.194 4.117 5.459 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.877 5.150 4.002 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.068 6.350 5.038 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.625 6.215 3.320 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.677 3.134 3.256 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.375 4.112 2.538 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.988 2.863 3.746 1.00 0.33 H new ATOM 142 N GLU A 9 0.608 6.159 6.609 1.00 0.37 N ATOM 143 CA GLU A 9 1.657 7.101 6.925 1.00 0.40 C ATOM 144 C GLU A 9 2.787 6.398 7.665 1.00 0.40 C ATOM 145 O GLU A 9 3.907 6.889 7.699 1.00 0.42 O ATOM 146 CB GLU A 9 1.108 8.267 7.745 1.00 0.47 C ATOM 147 CG GLU A 9 2.007 9.489 7.721 1.00 1.24 C ATOM 148 CD GLU A 9 1.494 10.613 8.591 1.00 1.72 C ATOM 149 OE1 GLU A 9 1.743 10.586 9.813 1.00 2.17 O ATOM 150 OE2 GLU A 9 0.855 11.540 8.054 1.00 2.41 O ATOM 0 H GLU A 9 -0.247 6.282 7.152 1.00 0.37 H new ATOM 0 HA GLU A 9 2.054 7.506 5.994 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.124 8.540 7.363 1.00 0.47 H new ATOM 0 HB3 GLU A 9 0.971 7.945 8.777 1.00 0.47 H new ATOM 0 HG2 GLU A 9 3.006 9.206 8.053 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.101 9.844 6.695 1.00 1.24 H new ATOM 157 N GLY A 10 2.478 5.251 8.263 1.00 0.40 N ATOM 158 CA GLY A 10 3.503 4.443 8.893 1.00 0.43 C ATOM 159 C GLY A 10 4.400 3.761 7.875 1.00 0.39 C ATOM 160 O GLY A 10 5.591 3.569 8.117 1.00 0.44 O ATOM 0 H GLY A 10 1.535 4.868 8.322 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.109 5.071 9.546 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.032 3.689 9.524 1.00 0.43 H new ATOM 164 N ILE A 11 3.830 3.386 6.733 1.00 0.34 N ATOM 165 CA ILE A 11 4.621 2.831 5.638 1.00 0.33 C ATOM 166 C ILE A 11 5.477 3.930 5.018 1.00 0.33 C ATOM 167 O ILE A 11 6.607 3.708 4.589 1.00 0.38 O ATOM 168 CB ILE A 11 3.724 2.182 4.558 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.988 0.978 5.148 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.547 1.762 3.347 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.993 0.345 4.201 1.00 1.16 C ATOM 0 H ILE A 11 2.830 3.455 6.542 1.00 0.34 H new ATOM 0 HA ILE A 11 5.263 2.050 6.045 1.00 0.33 H new ATOM 0 HB ILE A 11 2.992 2.919 4.227 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.720 0.227 5.446 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.466 1.291 6.052 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.893 1.308 2.602 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.034 2.637 2.917 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.303 1.040 3.654 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.512 -0.501 4.691 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.238 1.080 3.922 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.511 -0.000 3.306 1.00 1.16 H new ATOM 183 N VAL A 12 4.930 5.128 5.003 1.00 0.33 N ATOM 184 CA VAL A 12 5.661 6.299 4.557 1.00 0.38 C ATOM 185 C VAL A 12 6.708 6.692 5.607 1.00 0.40 C ATOM 186 O VAL A 12 7.756 7.257 5.290 1.00 0.45 O ATOM 187 CB VAL A 12 4.675 7.454 4.279 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.391 8.752 3.964 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.757 7.069 3.130 1.00 0.48 C ATOM 0 H VAL A 12 3.972 5.318 5.297 1.00 0.33 H new ATOM 0 HA VAL A 12 6.187 6.074 3.629 1.00 0.38 H new ATOM 0 HB VAL A 12 4.090 7.621 5.183 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.657 9.536 3.775 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.017 9.037 4.810 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.014 8.618 3.080 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.060 7.884 2.932 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.352 6.876 2.238 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.199 6.171 3.395 1.00 0.48 H new ATOM 199 N ASN A 13 6.426 6.335 6.852 1.00 0.42 N ATOM 200 CA ASN A 13 7.330 6.598 7.965 1.00 0.48 C ATOM 201 C ASN A 13 8.575 5.733 7.864 1.00 0.48 C ATOM 202 O ASN A 13 9.685 6.236 7.988 1.00 0.58 O ATOM 203 CB ASN A 13 6.621 6.346 9.299 1.00 0.61 C ATOM 204 CG ASN A 13 7.528 6.527 10.502 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.450 7.341 10.488 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.272 5.768 11.555 1.00 1.42 N ATOM 0 H ASN A 13 5.566 5.856 7.120 1.00 0.42 H new ATOM 0 HA ASN A 13 7.632 7.644 7.918 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.773 7.025 9.386 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.220 5.333 9.304 1.00 0.61 H new ATOM 0 HD21 ASN A 13 7.848 5.847 12.393 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.498 5.104 11.529 1.00 1.42 H new ATOM 213 N ILE A 14 8.394 4.436 7.625 1.00 0.47 N ATOM 214 CA ILE A 14 9.534 3.530 7.482 1.00 0.57 C ATOM 215 C ILE A 14 10.362 3.915 6.259 1.00 0.53 C ATOM 216 O ILE A 14 11.595 3.791 6.254 1.00 0.60 O ATOM 217 CB ILE A 14 9.099 2.048 7.388 1.00 0.68 C ATOM 218 CG1 ILE A 14 8.116 1.826 6.238 1.00 1.33 C ATOM 219 CG2 ILE A 14 8.478 1.606 8.698 1.00 1.14 C ATOM 220 CD1 ILE A 14 7.657 0.390 6.092 1.00 2.06 C ATOM 0 H ILE A 14 7.481 3.992 7.527 1.00 0.47 H new ATOM 0 HA ILE A 14 10.143 3.631 8.381 1.00 0.57 H new ATOM 0 HB ILE A 14 9.987 1.448 7.189 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.244 2.462 6.390 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.584 2.144 5.306 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.175 0.562 8.623 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.207 1.715 9.501 1.00 1.14 H new ATOM 0 HG23 ILE A 14 7.605 2.223 8.913 1.00 1.14 H new ATOM 0 HD11 ILE A 14 6.962 0.313 5.256 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.519 -0.251 5.907 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.159 0.072 7.008 1.00 2.06 H new ATOM 232 N PHE A 15 9.666 4.418 5.244 1.00 0.48 N ATOM 233 CA PHE A 15 10.295 4.956 4.048 1.00 0.58 C ATOM 234 C PHE A 15 11.253 6.089 4.417 1.00 0.60 C ATOM 235 O PHE A 15 12.329 6.225 3.838 1.00 0.70 O ATOM 236 CB PHE A 15 9.205 5.455 3.094 1.00 0.68 C ATOM 237 CG PHE A 15 9.712 6.069 1.824 1.00 1.18 C ATOM 238 CD1 PHE A 15 10.204 5.275 0.805 1.00 1.74 C ATOM 239 CD2 PHE A 15 9.682 7.440 1.644 1.00 1.93 C ATOM 240 CE1 PHE A 15 10.661 5.835 -0.371 1.00 2.35 C ATOM 241 CE2 PHE A 15 10.133 8.005 0.471 1.00 2.54 C ATOM 242 CZ PHE A 15 10.624 7.202 -0.539 1.00 2.57 C ATOM 0 H PHE A 15 8.647 4.463 5.230 1.00 0.48 H new ATOM 0 HA PHE A 15 10.874 4.176 3.554 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.553 4.619 2.841 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.593 6.190 3.617 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.231 4.203 0.931 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.301 8.074 2.431 1.00 1.93 H new ATOM 0 HE1 PHE A 15 11.047 5.203 -1.157 1.00 2.35 H new ATOM 0 HE2 PHE A 15 10.102 9.077 0.342 1.00 2.54 H new ATOM 0 HZ PHE A 15 10.978 7.644 -1.458 1.00 2.57 H new ATOM 252 N HIS A 16 10.854 6.884 5.400 1.00 0.59 N ATOM 253 CA HIS A 16 11.678 7.985 5.890 1.00 0.71 C ATOM 254 C HIS A 16 12.674 7.513 6.952 1.00 0.75 C ATOM 255 O HIS A 16 13.659 8.195 7.236 1.00 0.88 O ATOM 256 CB HIS A 16 10.803 9.108 6.450 1.00 0.77 C ATOM 257 CG HIS A 16 10.232 10.009 5.397 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.752 11.251 5.109 1.00 1.82 N ATOM 259 CD2 HIS A 16 9.178 9.847 4.565 1.00 1.84 C ATOM 260 CE1 HIS A 16 10.043 11.813 4.151 1.00 2.22 C ATOM 261 NE2 HIS A 16 9.080 10.983 3.799 1.00 2.23 N ATOM 0 H HIS A 16 9.958 6.787 5.878 1.00 0.59 H new ATOM 0 HA HIS A 16 12.246 8.369 5.043 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.986 8.669 7.022 1.00 0.77 H new ATOM 0 HB3 HIS A 16 11.394 9.705 7.145 1.00 0.77 H new ATOM 0 HD2 HIS A 16 8.532 8.983 4.513 1.00 1.84 H new ATOM 0 HE1 HIS A 16 10.221 12.790 3.725 1.00 2.22 H new ATOM 0 HE2 HIS A 16 8.379 11.156 3.078 1.00 2.23 H new ATOM 270 N GLN A 17 12.399 6.362 7.557 1.00 0.69 N ATOM 271 CA GLN A 17 13.267 5.817 8.595 1.00 0.81 C ATOM 272 C GLN A 17 14.655 5.496 8.058 1.00 0.93 C ATOM 273 O GLN A 17 15.655 5.947 8.618 1.00 1.18 O ATOM 274 CB GLN A 17 12.663 4.561 9.230 1.00 0.85 C ATOM 275 CG GLN A 17 11.533 4.843 10.207 1.00 1.27 C ATOM 276 CD GLN A 17 11.012 3.582 10.870 1.00 1.99 C ATOM 277 OE1 GLN A 17 11.752 2.616 11.070 1.00 2.60 O ATOM 278 NE2 GLN A 17 9.735 3.584 11.222 1.00 2.77 N ATOM 0 H GLN A 17 11.582 5.789 7.346 1.00 0.69 H new ATOM 0 HA GLN A 17 13.358 6.590 9.359 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.291 3.910 8.439 1.00 0.85 H new ATOM 0 HB3 GLN A 17 13.450 4.015 9.749 1.00 0.85 H new ATOM 0 HG2 GLN A 17 11.883 5.535 10.973 1.00 1.27 H new ATOM 0 HG3 GLN A 17 10.716 5.337 9.681 1.00 1.27 H new ATOM 0 HE21 GLN A 17 9.157 4.404 11.039 1.00 2.77 H new ATOM 0 HE22 GLN A 17 9.330 2.766 11.677 1.00 2.77 H new ATOM 287 N TYR A 18 14.734 4.723 6.976 1.00 0.85 N ATOM 288 CA TYR A 18 16.039 4.300 6.486 1.00 1.07 C ATOM 289 C TYR A 18 16.772 5.453 5.803 1.00 1.34 C ATOM 290 O TYR A 18 17.981 5.613 5.976 1.00 1.76 O ATOM 291 CB TYR A 18 15.931 3.073 5.564 1.00 1.22 C ATOM 292 CG TYR A 18 15.143 3.281 4.289 1.00 2.34 C ATOM 293 CD1 TYR A 18 15.735 3.854 3.174 1.00 3.25 C ATOM 294 CD2 TYR A 18 13.818 2.882 4.192 1.00 3.14 C ATOM 295 CE1 TYR A 18 15.031 4.028 2.002 1.00 4.48 C ATOM 296 CE2 TYR A 18 13.106 3.055 3.020 1.00 4.38 C ATOM 297 CZ TYR A 18 13.719 3.629 1.929 1.00 4.92 C ATOM 298 OH TYR A 18 13.018 3.797 0.759 1.00 6.25 O ATOM 0 H TYR A 18 13.935 4.387 6.438 1.00 0.85 H new ATOM 0 HA TYR A 18 16.631 3.998 7.350 1.00 1.07 H new ATOM 0 HB2 TYR A 18 16.938 2.750 5.299 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.472 2.259 6.125 1.00 1.22 H new ATOM 0 HD1 TYR A 18 16.767 4.170 3.225 1.00 3.25 H new ATOM 0 HD2 TYR A 18 13.335 2.429 5.045 1.00 3.14 H new ATOM 0 HE1 TYR A 18 15.509 4.477 1.144 1.00 4.48 H new ATOM 0 HE2 TYR A 18 12.074 2.742 2.960 1.00 4.38 H new ATOM 0 HH TYR A 18 12.209 4.322 0.935 1.00 6.25 H new ATOM 308 N SER A 19 16.030 6.273 5.067 1.00 1.32 N ATOM 309 CA SER A 19 16.600 7.396 4.330 1.00 1.77 C ATOM 310 C SER A 19 15.504 8.393 3.964 1.00 1.85 C ATOM 311 O SER A 19 14.435 8.389 4.569 1.00 2.32 O ATOM 312 CB SER A 19 17.307 6.901 3.058 1.00 2.37 C ATOM 313 OG SER A 19 18.512 6.220 3.369 1.00 3.01 O ATOM 0 H SER A 19 15.020 6.179 4.964 1.00 1.32 H new ATOM 0 HA SER A 19 17.334 7.892 4.966 1.00 1.77 H new ATOM 0 HB2 SER A 19 16.643 6.236 2.506 1.00 2.37 H new ATOM 0 HB3 SER A 19 17.523 7.748 2.407 1.00 2.37 H new ATOM 0 HG SER A 19 18.648 5.488 2.732 1.00 3.01 H new ATOM 319 N VAL A 20 15.786 9.247 2.983 1.00 2.11 N ATOM 320 CA VAL A 20 14.821 10.221 2.479 1.00 2.50 C ATOM 321 C VAL A 20 14.652 11.376 3.457 1.00 2.64 C ATOM 322 O VAL A 20 13.714 11.410 4.261 1.00 3.25 O ATOM 323 CB VAL A 20 13.438 9.597 2.168 1.00 3.30 C ATOM 324 CG1 VAL A 20 12.506 10.631 1.551 1.00 3.90 C ATOM 325 CG2 VAL A 20 13.585 8.401 1.245 1.00 4.13 C ATOM 0 H VAL A 20 16.691 9.283 2.514 1.00 2.11 H new ATOM 0 HA VAL A 20 15.231 10.593 1.540 1.00 2.50 H new ATOM 0 HB VAL A 20 13.001 9.257 3.107 1.00 3.30 H new ATOM 0 HG11 VAL A 20 11.540 10.171 1.341 1.00 3.90 H new ATOM 0 HG12 VAL A 20 12.370 11.459 2.247 1.00 3.90 H new ATOM 0 HG13 VAL A 20 12.940 11.004 0.623 1.00 3.90 H new ATOM 0 HG21 VAL A 20 12.602 7.977 1.039 1.00 4.13 H new ATOM 0 HG22 VAL A 20 14.047 8.718 0.310 1.00 4.13 H new ATOM 0 HG23 VAL A 20 14.212 7.648 1.722 1.00 4.13 H new ATOM 335 N ARG A 21 15.587 12.301 3.402 1.00 2.80 N ATOM 336 CA ARG A 21 15.494 13.528 4.167 1.00 3.55 C ATOM 337 C ARG A 21 15.537 14.706 3.204 1.00 3.96 C ATOM 338 O ARG A 21 16.486 14.842 2.430 1.00 4.55 O ATOM 339 CB ARG A 21 16.624 13.608 5.197 1.00 4.19 C ATOM 340 CG ARG A 21 16.560 14.843 6.081 1.00 4.83 C ATOM 341 CD ARG A 21 17.449 14.698 7.308 1.00 5.36 C ATOM 342 NE ARG A 21 18.846 14.446 6.961 1.00 5.87 N ATOM 343 CZ ARG A 21 19.663 13.673 7.677 1.00 6.57 C ATOM 344 NH1 ARG A 21 19.214 13.045 8.759 1.00 6.84 N ATOM 345 NH2 ARG A 21 20.926 13.519 7.304 1.00 7.28 N ATOM 0 H ARG A 21 16.428 12.225 2.830 1.00 2.80 H new ATOM 0 HA ARG A 21 14.554 13.551 4.719 1.00 3.55 H new ATOM 0 HB2 ARG A 21 16.593 12.719 5.827 1.00 4.19 H new ATOM 0 HB3 ARG A 21 17.581 13.595 4.675 1.00 4.19 H new ATOM 0 HG2 ARG A 21 16.868 15.718 5.508 1.00 4.83 H new ATOM 0 HG3 ARG A 21 15.530 15.014 6.395 1.00 4.83 H new ATOM 0 HD2 ARG A 21 17.385 15.606 7.908 1.00 5.36 H new ATOM 0 HD3 ARG A 21 17.079 13.880 7.926 1.00 5.36 H new ATOM 0 HE ARG A 21 19.218 14.888 6.121 1.00 5.87 H new ATOM 0 HH11 ARG A 21 18.241 13.153 9.045 1.00 6.84 H new ATOM 0 HH12 ARG A 21 19.843 12.455 9.304 1.00 6.84 H new ATOM 0 HH21 ARG A 21 21.273 13.992 6.469 1.00 7.28 H new ATOM 0 HH22 ARG A 21 21.551 12.928 7.852 1.00 7.28 H new ATOM 359 N LYS A 22 14.490 15.522 3.235 1.00 4.13 N ATOM 360 CA LYS A 22 14.320 16.607 2.277 1.00 4.90 C ATOM 361 C LYS A 22 15.530 17.536 2.267 1.00 5.04 C ATOM 362 O LYS A 22 15.844 18.188 3.267 1.00 5.58 O ATOM 363 CB LYS A 22 13.048 17.397 2.593 1.00 5.68 C ATOM 364 CG LYS A 22 12.726 18.465 1.562 1.00 6.44 C ATOM 365 CD LYS A 22 11.458 19.220 1.918 1.00 7.32 C ATOM 366 CE LYS A 22 11.140 20.292 0.886 1.00 8.19 C ATOM 367 NZ LYS A 22 10.883 19.716 -0.461 1.00 8.70 N ATOM 0 H LYS A 22 13.739 15.451 3.921 1.00 4.13 H new ATOM 0 HA LYS A 22 14.229 16.166 1.284 1.00 4.90 H new ATOM 0 HB2 LYS A 22 12.208 16.706 2.663 1.00 5.68 H new ATOM 0 HB3 LYS A 22 13.155 17.867 3.570 1.00 5.68 H new ATOM 0 HG2 LYS A 22 13.559 19.165 1.490 1.00 6.44 H new ATOM 0 HG3 LYS A 22 12.612 18.003 0.582 1.00 6.44 H new ATOM 0 HD2 LYS A 22 10.624 18.521 1.987 1.00 7.32 H new ATOM 0 HD3 LYS A 22 11.571 19.680 2.900 1.00 7.32 H new ATOM 0 HE2 LYS A 22 10.267 20.858 1.210 1.00 8.19 H new ATOM 0 HE3 LYS A 22 11.971 20.995 0.826 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 10.476 20.447 -1.079 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 11.777 19.376 -0.869 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 10.216 18.922 -0.378 1.00 8.70 H new ATOM 381 N GLY A 23 16.213 17.571 1.134 1.00 4.88 N ATOM 382 CA GLY A 23 17.369 18.422 0.980 1.00 5.26 C ATOM 383 C GLY A 23 17.742 18.596 -0.476 1.00 5.25 C ATOM 384 O GLY A 23 17.244 19.501 -1.146 1.00 5.67 O ATOM 0 H GLY A 23 15.982 17.017 0.309 1.00 4.88 H new ATOM 0 HA2 GLY A 23 17.166 19.397 1.423 1.00 5.26 H new ATOM 0 HA3 GLY A 23 18.211 17.994 1.524 1.00 5.26 H new ATOM 388 N HIS A 24 18.602 17.719 -0.973 1.00 5.15 N ATOM 389 CA HIS A 24 19.025 17.770 -2.366 1.00 5.44 C ATOM 390 C HIS A 24 18.861 16.409 -3.023 1.00 4.99 C ATOM 391 O HIS A 24 19.554 15.453 -2.664 1.00 5.43 O ATOM 392 CB HIS A 24 20.482 18.229 -2.484 1.00 6.29 C ATOM 393 CG HIS A 24 20.703 19.653 -2.077 1.00 6.92 C ATOM 394 ND1 HIS A 24 20.471 20.718 -2.917 1.00 7.55 N ATOM 395 CD2 HIS A 24 21.138 20.185 -0.913 1.00 7.35 C ATOM 396 CE1 HIS A 24 20.751 21.842 -2.289 1.00 8.27 C ATOM 397 NE2 HIS A 24 21.157 21.547 -1.071 1.00 8.17 N ATOM 0 H HIS A 24 19.021 16.963 -0.432 1.00 5.15 H new ATOM 0 HA HIS A 24 18.391 18.493 -2.879 1.00 5.44 H new ATOM 0 HB2 HIS A 24 21.107 17.584 -1.867 1.00 6.29 H new ATOM 0 HB3 HIS A 24 20.811 18.101 -3.515 1.00 6.29 H new ATOM 0 HD2 HIS A 24 21.418 19.639 -0.024 1.00 7.35 H new ATOM 0 HE1 HIS A 24 20.663 22.836 -2.702 1.00 8.27 H new ATOM 0 HE2 HIS A 24 21.440 22.222 -0.361 1.00 8.17 H new ATOM 406 N PHE A 25 17.931 16.338 -3.977 1.00 4.48 N ATOM 407 CA PHE A 25 17.652 15.118 -4.743 1.00 4.32 C ATOM 408 C PHE A 25 16.985 14.043 -3.887 1.00 3.71 C ATOM 409 O PHE A 25 16.960 14.125 -2.656 1.00 3.95 O ATOM 410 CB PHE A 25 18.925 14.569 -5.400 1.00 4.90 C ATOM 411 CG PHE A 25 19.466 15.455 -6.486 1.00 5.62 C ATOM 412 CD1 PHE A 25 18.867 15.483 -7.735 1.00 6.16 C ATOM 413 CD2 PHE A 25 20.568 16.262 -6.257 1.00 6.16 C ATOM 414 CE1 PHE A 25 19.358 16.300 -8.736 1.00 7.09 C ATOM 415 CE2 PHE A 25 21.064 17.081 -7.253 1.00 7.08 C ATOM 416 CZ PHE A 25 20.458 17.100 -8.494 1.00 7.50 C ATOM 0 H PHE A 25 17.345 17.130 -4.243 1.00 4.48 H new ATOM 0 HA PHE A 25 16.950 15.395 -5.530 1.00 4.32 H new ATOM 0 HB2 PHE A 25 19.691 14.435 -4.636 1.00 4.90 H new ATOM 0 HB3 PHE A 25 18.714 13.584 -5.816 1.00 4.90 H new ATOM 0 HD1 PHE A 25 18.007 14.859 -7.929 1.00 6.16 H new ATOM 0 HD2 PHE A 25 21.045 16.251 -5.288 1.00 6.16 H new ATOM 0 HE1 PHE A 25 18.883 16.313 -9.706 1.00 7.09 H new ATOM 0 HE2 PHE A 25 21.924 17.705 -7.062 1.00 7.08 H new ATOM 0 HZ PHE A 25 20.844 17.739 -9.274 1.00 7.50 H new ATOM 426 N ASP A 26 16.430 13.045 -4.559 1.00 3.49 N ATOM 427 CA ASP A 26 15.706 11.964 -3.901 1.00 3.48 C ATOM 428 C ASP A 26 15.928 10.654 -4.655 1.00 3.05 C ATOM 429 O ASP A 26 16.909 10.528 -5.388 1.00 3.62 O ATOM 430 CB ASP A 26 14.206 12.297 -3.821 1.00 4.39 C ATOM 431 CG ASP A 26 13.546 12.420 -5.185 1.00 5.09 C ATOM 432 OD1 ASP A 26 13.662 13.491 -5.820 1.00 5.48 O ATOM 433 OD2 ASP A 26 12.901 11.452 -5.626 1.00 5.62 O ATOM 0 H ASP A 26 16.468 12.961 -5.575 1.00 3.49 H new ATOM 0 HA ASP A 26 16.085 11.850 -2.885 1.00 3.48 H new ATOM 0 HB2 ASP A 26 13.698 11.521 -3.248 1.00 4.39 H new ATOM 0 HB3 ASP A 26 14.077 13.232 -3.276 1.00 4.39 H new ATOM 438 N THR A 27 15.008 9.701 -4.468 1.00 2.55 N ATOM 439 CA THR A 27 15.088 8.355 -5.050 1.00 2.52 C ATOM 440 C THR A 27 16.017 7.461 -4.221 1.00 1.71 C ATOM 441 O THR A 27 17.006 7.927 -3.649 1.00 2.29 O ATOM 442 CB THR A 27 15.505 8.360 -6.550 1.00 3.34 C ATOM 443 OG1 THR A 27 14.637 7.498 -7.295 1.00 3.84 O ATOM 444 CG2 THR A 27 16.945 7.896 -6.756 1.00 3.94 C ATOM 0 H THR A 27 14.174 9.845 -3.899 1.00 2.55 H new ATOM 0 HA THR A 27 14.080 7.941 -5.018 1.00 2.52 H new ATOM 0 HB THR A 27 15.427 9.390 -6.899 1.00 3.34 H new ATOM 0 HG1 THR A 27 13.966 8.036 -7.765 1.00 3.84 H new ATOM 0 HG21 THR A 27 17.186 7.918 -7.819 1.00 3.94 H new ATOM 0 HG22 THR A 27 17.622 8.559 -6.217 1.00 3.94 H new ATOM 0 HG23 THR A 27 17.057 6.879 -6.379 1.00 3.94 H new ATOM 452 N LEU A 28 15.671 6.183 -4.136 1.00 1.14 N ATOM 453 CA LEU A 28 16.402 5.234 -3.306 1.00 0.90 C ATOM 454 C LEU A 28 16.884 4.072 -4.157 1.00 0.71 C ATOM 455 O LEU A 28 16.285 3.759 -5.177 1.00 0.76 O ATOM 456 CB LEU A 28 15.509 4.693 -2.177 1.00 1.66 C ATOM 457 CG LEU A 28 14.986 5.723 -1.164 1.00 2.02 C ATOM 458 CD1 LEU A 28 16.120 6.590 -0.636 1.00 2.91 C ATOM 459 CD2 LEU A 28 13.880 6.577 -1.768 1.00 2.37 C ATOM 0 H LEU A 28 14.881 5.777 -4.637 1.00 1.14 H new ATOM 0 HA LEU A 28 17.254 5.752 -2.866 1.00 0.90 H new ATOM 0 HB2 LEU A 28 14.652 4.194 -2.629 1.00 1.66 H new ATOM 0 HB3 LEU A 28 16.070 3.933 -1.633 1.00 1.66 H new ATOM 0 HG LEU A 28 14.560 5.177 -0.322 1.00 2.02 H new ATOM 0 HD11 LEU A 28 15.724 7.311 0.079 1.00 2.91 H new ATOM 0 HD12 LEU A 28 16.861 5.960 -0.144 1.00 2.91 H new ATOM 0 HD13 LEU A 28 16.588 7.121 -1.465 1.00 2.91 H new ATOM 0 HD21 LEU A 28 13.530 7.296 -1.027 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.265 7.110 -2.637 1.00 2.37 H new ATOM 0 HD23 LEU A 28 13.051 5.937 -2.072 1.00 2.37 H new ATOM 471 N SER A 29 17.961 3.432 -3.745 1.00 0.61 N ATOM 472 CA SER A 29 18.460 2.284 -4.476 1.00 0.49 C ATOM 473 C SER A 29 18.085 0.987 -3.760 1.00 0.44 C ATOM 474 O SER A 29 17.439 1.027 -2.708 1.00 0.53 O ATOM 475 CB SER A 29 19.967 2.386 -4.667 1.00 0.55 C ATOM 476 OG SER A 29 20.328 3.659 -5.182 1.00 1.35 O ATOM 0 H SER A 29 18.502 3.684 -2.918 1.00 0.61 H new ATOM 0 HA SER A 29 17.995 2.272 -5.462 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.470 2.219 -3.715 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.305 1.605 -5.348 1.00 0.55 H new ATOM 0 HG SER A 29 21.301 3.702 -5.295 1.00 1.35 H new ATOM 482 N LYS A 30 18.490 -0.153 -4.309 1.00 0.38 N ATOM 483 CA LYS A 30 18.048 -1.446 -3.794 1.00 0.36 C ATOM 484 C LYS A 30 18.484 -1.655 -2.345 1.00 0.36 C ATOM 485 O LYS A 30 17.753 -2.246 -1.559 1.00 0.37 O ATOM 486 CB LYS A 30 18.580 -2.585 -4.660 1.00 0.39 C ATOM 487 CG LYS A 30 17.836 -3.894 -4.455 1.00 0.41 C ATOM 488 CD LYS A 30 18.478 -5.052 -5.205 1.00 0.50 C ATOM 489 CE LYS A 30 18.515 -4.827 -6.711 1.00 0.52 C ATOM 490 NZ LYS A 30 19.706 -4.048 -7.146 1.00 1.32 N ATOM 0 H LYS A 30 19.122 -0.209 -5.108 1.00 0.38 H new ATOM 0 HA LYS A 30 16.959 -1.449 -3.827 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.512 -2.297 -5.709 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.636 -2.737 -4.439 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.804 -4.127 -3.391 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.804 -3.778 -4.787 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.494 -5.199 -4.838 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.927 -5.968 -4.992 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.512 -5.792 -7.219 1.00 0.52 H new ATOM 0 HE3 LYS A 30 17.610 -4.302 -7.018 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.402 -3.255 -7.746 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.204 -3.679 -6.311 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 20.346 -4.665 -7.686 1.00 1.32 H new ATOM 504 N GLY A 31 19.667 -1.155 -2.002 1.00 0.39 N ATOM 505 CA GLY A 31 20.202 -1.329 -0.659 1.00 0.40 C ATOM 506 C GLY A 31 19.284 -0.785 0.414 1.00 0.38 C ATOM 507 O GLY A 31 19.092 -1.410 1.459 1.00 0.39 O ATOM 0 H GLY A 31 20.270 -0.628 -2.634 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.377 -2.389 -0.477 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.169 -0.830 -0.591 1.00 0.40 H new ATOM 511 N GLU A 32 18.703 0.371 0.142 1.00 0.44 N ATOM 512 CA GLU A 32 17.832 1.038 1.098 1.00 0.50 C ATOM 513 C GLU A 32 16.545 0.250 1.284 1.00 0.42 C ATOM 514 O GLU A 32 16.047 0.088 2.400 1.00 0.44 O ATOM 515 CB GLU A 32 17.505 2.440 0.604 1.00 0.67 C ATOM 516 CG GLU A 32 18.731 3.241 0.197 1.00 0.96 C ATOM 517 CD GLU A 32 19.757 3.342 1.305 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.492 4.043 2.304 1.00 2.44 O ATOM 519 OE2 GLU A 32 20.841 2.733 1.174 1.00 2.10 O ATOM 0 H GLU A 32 18.819 0.871 -0.739 1.00 0.44 H new ATOM 0 HA GLU A 32 18.348 1.100 2.056 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.829 2.368 -0.248 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.973 2.978 1.389 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.190 2.777 -0.676 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.423 4.244 -0.100 1.00 0.96 H new ATOM 526 N LEU A 33 16.021 -0.236 0.171 1.00 0.38 N ATOM 527 CA LEU A 33 14.822 -1.047 0.168 1.00 0.34 C ATOM 528 C LEU A 33 15.085 -2.344 0.913 1.00 0.29 C ATOM 529 O LEU A 33 14.339 -2.718 1.809 1.00 0.32 O ATOM 530 CB LEU A 33 14.422 -1.336 -1.277 1.00 0.34 C ATOM 531 CG LEU A 33 13.078 -2.038 -1.463 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.942 -1.153 -0.986 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.871 -2.425 -2.917 1.00 0.46 C ATOM 0 H LEU A 33 16.418 -0.077 -0.755 1.00 0.38 H new ATOM 0 HA LEU A 33 14.010 -0.517 0.666 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.398 -0.393 -1.824 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.198 -1.950 -1.734 1.00 0.34 H new ATOM 0 HG LEU A 33 13.084 -2.947 -0.862 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.993 -1.671 -1.127 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.077 -0.925 0.071 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.938 -0.226 -1.559 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.908 -2.924 -3.027 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.889 -1.529 -3.538 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.667 -3.100 -3.231 1.00 0.46 H new ATOM 545 N LYS A 34 16.181 -2.995 0.549 1.00 0.29 N ATOM 546 CA LYS A 34 16.599 -4.253 1.150 1.00 0.31 C ATOM 547 C LYS A 34 16.715 -4.128 2.667 1.00 0.35 C ATOM 548 O LYS A 34 16.309 -5.027 3.403 1.00 0.41 O ATOM 549 CB LYS A 34 17.935 -4.681 0.536 1.00 0.34 C ATOM 550 CG LYS A 34 18.614 -5.840 1.244 1.00 0.53 C ATOM 551 CD LYS A 34 19.909 -6.223 0.550 1.00 0.85 C ATOM 552 CE LYS A 34 20.651 -7.307 1.312 1.00 1.30 C ATOM 553 NZ LYS A 34 21.045 -6.861 2.675 1.00 1.87 N ATOM 0 H LYS A 34 16.811 -2.661 -0.180 1.00 0.29 H new ATOM 0 HA LYS A 34 15.845 -5.013 0.945 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.770 -4.956 -0.506 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.611 -3.826 0.537 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.820 -5.567 2.279 1.00 0.53 H new ATOM 0 HG3 LYS A 34 17.943 -6.699 1.268 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.692 -6.571 -0.460 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.546 -5.343 0.455 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.020 -8.193 1.389 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.541 -7.597 0.754 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.779 -7.495 3.049 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 21.416 -5.891 2.629 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.215 -6.885 3.301 1.00 1.87 H new ATOM 567 N GLN A 35 17.267 -3.010 3.122 1.00 0.35 N ATOM 568 CA GLN A 35 17.349 -2.711 4.539 1.00 0.43 C ATOM 569 C GLN A 35 15.966 -2.779 5.173 1.00 0.43 C ATOM 570 O GLN A 35 15.717 -3.626 6.028 1.00 0.50 O ATOM 571 CB GLN A 35 17.970 -1.328 4.730 1.00 0.50 C ATOM 572 CG GLN A 35 17.989 -0.866 6.170 1.00 1.07 C ATOM 573 CD GLN A 35 18.529 0.540 6.330 1.00 1.68 C ATOM 574 OE1 GLN A 35 18.140 1.266 7.245 1.00 2.46 O ATOM 575 NE2 GLN A 35 19.431 0.937 5.446 1.00 2.07 N ATOM 0 H GLN A 35 17.667 -2.291 2.520 1.00 0.35 H new ATOM 0 HA GLN A 35 17.980 -3.451 5.031 1.00 0.43 H new ATOM 0 HB2 GLN A 35 18.991 -1.342 4.348 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.416 -0.604 4.132 1.00 0.50 H new ATOM 0 HG2 GLN A 35 16.977 -0.910 6.574 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.597 -1.553 6.759 1.00 1.07 H new ATOM 0 HE21 GLN A 35 19.728 0.306 4.702 1.00 2.07 H new ATOM 0 HE22 GLN A 35 19.829 1.874 5.509 1.00 2.07 H new ATOM 584 N LEU A 36 15.065 -1.919 4.710 1.00 0.38 N ATOM 585 CA LEU A 36 13.703 -1.862 5.223 1.00 0.39 C ATOM 586 C LEU A 36 13.040 -3.230 5.159 1.00 0.38 C ATOM 587 O LEU A 36 12.426 -3.679 6.115 1.00 0.45 O ATOM 588 CB LEU A 36 12.904 -0.836 4.413 1.00 0.36 C ATOM 589 CG LEU A 36 11.431 -0.666 4.793 1.00 0.40 C ATOM 590 CD1 LEU A 36 10.965 0.725 4.425 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.559 -1.696 4.087 1.00 0.40 C ATOM 0 H LEU A 36 15.259 -1.244 3.970 1.00 0.38 H new ATOM 0 HA LEU A 36 13.728 -1.558 6.269 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.395 0.132 4.509 1.00 0.36 H new ATOM 0 HB3 LEU A 36 12.955 -1.117 3.361 1.00 0.36 H new ATOM 0 HG LEU A 36 11.339 -0.815 5.869 1.00 0.40 H new ATOM 0 HD11 LEU A 36 9.916 0.841 4.697 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.563 1.463 4.960 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.080 0.875 3.352 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.518 -1.551 4.376 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.656 -1.576 3.008 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.878 -2.699 4.371 1.00 0.40 H new ATOM 603 N LEU A 37 13.185 -3.885 4.027 1.00 0.34 N ATOM 604 CA LEU A 37 12.545 -5.165 3.784 1.00 0.35 C ATOM 605 C LEU A 37 12.981 -6.228 4.780 1.00 0.41 C ATOM 606 O LEU A 37 12.148 -6.882 5.405 1.00 0.45 O ATOM 607 CB LEU A 37 12.865 -5.621 2.370 1.00 0.34 C ATOM 608 CG LEU A 37 12.326 -4.706 1.277 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.749 -5.192 -0.098 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.818 -4.602 1.379 1.00 0.32 C ATOM 0 H LEU A 37 13.750 -3.547 3.248 1.00 0.34 H new ATOM 0 HA LEU A 37 11.470 -5.031 3.908 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.947 -5.698 2.262 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.458 -6.621 2.223 1.00 0.34 H new ATOM 0 HG LEU A 37 12.750 -3.712 1.418 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.351 -4.521 -0.859 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.837 -5.206 -0.160 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.363 -6.198 -0.263 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.445 -3.946 0.593 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.376 -5.592 1.265 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.546 -4.193 2.352 1.00 0.32 H new ATOM 622 N THR A 38 14.282 -6.380 4.937 1.00 0.45 N ATOM 623 CA THR A 38 14.830 -7.431 5.771 1.00 0.53 C ATOM 624 C THR A 38 14.516 -7.211 7.249 1.00 0.59 C ATOM 625 O THR A 38 14.452 -8.166 8.023 1.00 0.66 O ATOM 626 CB THR A 38 16.354 -7.542 5.580 1.00 0.55 C ATOM 627 OG1 THR A 38 16.962 -6.250 5.708 1.00 1.23 O ATOM 628 CG2 THR A 38 16.687 -8.128 4.216 1.00 1.03 C ATOM 0 H THR A 38 14.982 -5.785 4.495 1.00 0.45 H new ATOM 0 HA THR A 38 14.356 -8.361 5.458 1.00 0.53 H new ATOM 0 HB THR A 38 16.745 -8.206 6.351 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.018 -5.826 4.826 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.769 -8.197 4.104 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.249 -9.123 4.131 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.281 -7.485 3.435 1.00 1.03 H new ATOM 636 N LYS A 39 14.330 -5.957 7.647 1.00 0.58 N ATOM 637 CA LYS A 39 14.078 -5.650 9.047 1.00 0.66 C ATOM 638 C LYS A 39 12.588 -5.493 9.365 1.00 0.64 C ATOM 639 O LYS A 39 12.135 -5.914 10.429 1.00 0.72 O ATOM 640 CB LYS A 39 14.856 -4.405 9.476 1.00 0.72 C ATOM 641 CG LYS A 39 14.478 -3.144 8.723 1.00 0.68 C ATOM 642 CD LYS A 39 15.627 -2.136 8.646 1.00 0.73 C ATOM 643 CE LYS A 39 16.021 -1.575 10.010 1.00 0.87 C ATOM 644 NZ LYS A 39 16.835 -2.526 10.813 1.00 1.61 N ATOM 0 H LYS A 39 14.349 -5.147 7.027 1.00 0.58 H new ATOM 0 HA LYS A 39 14.431 -6.506 9.622 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.696 -4.240 10.541 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.921 -4.591 9.339 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.164 -3.409 7.713 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.622 -2.677 9.211 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.494 -2.616 8.192 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.339 -1.314 7.991 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.583 -0.652 9.869 1.00 0.87 H new ATOM 0 HE3 LYS A 39 15.119 -1.317 10.566 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 17.545 -1.999 11.360 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 16.215 -3.050 11.464 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.314 -3.195 10.177 1.00 1.61 H new ATOM 658 N GLU A 40 11.825 -4.911 8.448 1.00 0.57 N ATOM 659 CA GLU A 40 10.431 -4.569 8.727 1.00 0.58 C ATOM 660 C GLU A 40 9.493 -5.647 8.223 1.00 0.56 C ATOM 661 O GLU A 40 8.602 -6.099 8.939 1.00 0.64 O ATOM 662 CB GLU A 40 10.066 -3.232 8.073 1.00 0.58 C ATOM 663 CG GLU A 40 10.600 -2.020 8.811 1.00 0.87 C ATOM 664 CD GLU A 40 9.954 -1.826 10.175 1.00 1.14 C ATOM 665 OE1 GLU A 40 8.915 -1.132 10.260 1.00 1.67 O ATOM 666 OE2 GLU A 40 10.482 -2.358 11.174 1.00 1.63 O ATOM 0 H GLU A 40 12.143 -4.666 7.510 1.00 0.57 H new ATOM 0 HA GLU A 40 10.322 -4.486 9.808 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.449 -3.222 7.053 1.00 0.58 H new ATOM 0 HB3 GLU A 40 8.981 -3.156 8.007 1.00 0.58 H new ATOM 0 HG2 GLU A 40 11.678 -2.123 8.936 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.433 -1.129 8.205 1.00 0.87 H new ATOM 673 N LEU A 41 9.717 -6.074 6.997 1.00 0.50 N ATOM 674 CA LEU A 41 8.814 -7.012 6.348 1.00 0.49 C ATOM 675 C LEU A 41 9.384 -8.419 6.422 1.00 0.52 C ATOM 676 O LEU A 41 9.006 -9.299 5.647 1.00 0.53 O ATOM 677 CB LEU A 41 8.586 -6.602 4.888 1.00 0.43 C ATOM 678 CG LEU A 41 8.291 -5.112 4.661 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.853 -4.866 3.228 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.237 -4.608 5.637 1.00 1.42 C ATOM 0 H LEU A 41 10.514 -5.789 6.428 1.00 0.50 H new ATOM 0 HA LEU A 41 7.855 -6.997 6.866 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.470 -6.872 4.310 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.755 -7.184 4.490 1.00 0.43 H new ATOM 0 HG LEU A 41 9.211 -4.556 4.841 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.649 -3.805 3.087 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.645 -5.177 2.547 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.950 -5.440 3.020 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.048 -3.550 5.454 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.314 -5.171 5.499 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.594 -4.741 6.658 1.00 1.42 H new ATOM 692 N ALA A 42 10.281 -8.613 7.388 1.00 0.58 N ATOM 693 CA ALA A 42 11.013 -9.868 7.559 1.00 0.64 C ATOM 694 C ALA A 42 10.092 -11.082 7.648 1.00 0.71 C ATOM 695 O ALA A 42 10.460 -12.182 7.231 1.00 0.78 O ATOM 696 CB ALA A 42 11.891 -9.794 8.798 1.00 0.71 C ATOM 0 H ALA A 42 10.522 -7.901 8.077 1.00 0.58 H new ATOM 0 HA ALA A 42 11.631 -9.999 6.671 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.432 -10.733 8.917 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.603 -8.976 8.691 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.268 -9.620 9.675 1.00 0.71 H new ATOM 702 N ASN A 43 8.898 -10.887 8.179 1.00 0.74 N ATOM 703 CA ASN A 43 7.981 -11.997 8.393 1.00 0.83 C ATOM 704 C ASN A 43 6.693 -11.796 7.595 1.00 0.83 C ATOM 705 O ASN A 43 5.655 -12.383 7.898 1.00 1.07 O ATOM 706 CB ASN A 43 7.684 -12.134 9.892 1.00 0.99 C ATOM 707 CG ASN A 43 7.047 -13.462 10.263 1.00 1.28 C ATOM 708 OD1 ASN A 43 5.823 -13.584 10.341 1.00 1.56 O ATOM 709 ND2 ASN A 43 7.874 -14.469 10.497 1.00 2.16 N ATOM 0 H ASN A 43 8.540 -9.977 8.469 1.00 0.74 H new ATOM 0 HA ASN A 43 8.446 -12.918 8.041 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.612 -12.016 10.451 1.00 0.99 H new ATOM 0 HB3 ASN A 43 7.022 -11.324 10.199 1.00 0.99 H new ATOM 0 HD21 ASN A 43 7.504 -15.385 10.752 1.00 2.16 H new ATOM 0 HD22 ASN A 43 8.882 -14.329 10.422 1.00 2.16 H new ATOM 716 N THR A 44 6.762 -10.972 6.559 1.00 0.65 N ATOM 717 CA THR A 44 5.591 -10.699 5.743 1.00 0.61 C ATOM 718 C THR A 44 5.763 -11.300 4.360 1.00 0.59 C ATOM 719 O THR A 44 5.000 -12.172 3.950 1.00 0.66 O ATOM 720 CB THR A 44 5.338 -9.188 5.606 1.00 0.56 C ATOM 721 OG1 THR A 44 5.363 -8.572 6.900 1.00 0.65 O ATOM 722 CG2 THR A 44 3.993 -8.928 4.943 1.00 0.53 C ATOM 0 H THR A 44 7.609 -10.485 6.267 1.00 0.65 H new ATOM 0 HA THR A 44 4.734 -11.152 6.241 1.00 0.61 H new ATOM 0 HB THR A 44 6.124 -8.761 4.983 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.203 -7.610 6.807 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.832 -7.853 4.855 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.983 -9.379 3.951 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.199 -9.365 5.548 1.00 0.53 H new ATOM 730 N ILE A 45 6.787 -10.841 3.664 1.00 0.52 N ATOM 731 CA ILE A 45 7.068 -11.295 2.315 1.00 0.52 C ATOM 732 C ILE A 45 7.909 -12.567 2.357 1.00 0.59 C ATOM 733 O ILE A 45 8.812 -12.686 3.190 1.00 0.60 O ATOM 734 CB ILE A 45 7.816 -10.200 1.528 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.985 -8.911 1.476 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.145 -10.683 0.120 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.668 -7.777 0.742 1.00 0.36 C ATOM 0 H ILE A 45 7.445 -10.146 4.016 1.00 0.52 H new ATOM 0 HA ILE A 45 6.123 -11.507 1.814 1.00 0.52 H new ATOM 0 HB ILE A 45 8.752 -9.984 2.044 1.00 0.43 H new ATOM 0 HG12 ILE A 45 6.031 -9.123 0.992 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.762 -8.591 2.494 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.673 -9.897 -0.420 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.776 -11.570 0.178 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.222 -10.928 -0.406 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.021 -6.899 0.746 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.609 -7.537 1.238 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.866 -8.077 -0.287 1.00 0.36 H new ATOM 749 N LYS A 46 7.586 -13.525 1.481 1.00 0.67 N ATOM 750 CA LYS A 46 8.321 -14.781 1.408 1.00 0.73 C ATOM 751 C LYS A 46 9.798 -14.523 1.247 1.00 0.68 C ATOM 752 O LYS A 46 10.203 -13.772 0.364 1.00 0.63 O ATOM 753 CB LYS A 46 7.820 -15.659 0.243 1.00 0.82 C ATOM 754 CG LYS A 46 8.085 -15.102 -1.157 1.00 0.79 C ATOM 755 CD LYS A 46 9.418 -15.586 -1.740 1.00 0.75 C ATOM 756 CE LYS A 46 9.363 -17.049 -2.133 1.00 0.88 C ATOM 757 NZ LYS A 46 10.611 -17.489 -2.813 1.00 1.61 N ATOM 0 H LYS A 46 6.818 -13.449 0.814 1.00 0.67 H new ATOM 0 HA LYS A 46 8.148 -15.315 2.342 1.00 0.73 H new ATOM 0 HB2 LYS A 46 8.290 -16.640 0.321 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.747 -15.810 0.359 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.273 -15.397 -1.822 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.084 -14.013 -1.117 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.673 -14.985 -2.613 1.00 0.75 H new ATOM 0 HD3 LYS A 46 10.211 -15.436 -1.007 1.00 0.75 H new ATOM 0 HE2 LYS A 46 9.200 -17.658 -1.244 1.00 0.88 H new ATOM 0 HE3 LYS A 46 8.512 -17.216 -2.793 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 10.533 -18.495 -3.065 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 10.753 -16.926 -3.676 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 11.420 -17.354 -2.174 1.00 1.61 H new ATOM 771 N ASN A 47 10.590 -15.127 2.124 1.00 0.71 N ATOM 772 CA ASN A 47 12.041 -15.076 2.023 1.00 0.67 C ATOM 773 C ASN A 47 12.531 -13.676 1.698 1.00 0.59 C ATOM 774 O ASN A 47 13.424 -13.504 0.876 1.00 0.57 O ATOM 775 CB ASN A 47 12.522 -16.046 0.948 1.00 0.69 C ATOM 776 CG ASN A 47 12.579 -17.485 1.428 1.00 0.92 C ATOM 777 OD1 ASN A 47 13.607 -17.951 1.918 1.00 1.48 O ATOM 778 ND2 ASN A 47 11.474 -18.200 1.301 1.00 1.24 N ATOM 0 H ASN A 47 10.246 -15.663 2.921 1.00 0.71 H new ATOM 0 HA ASN A 47 12.451 -15.363 2.992 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.858 -15.983 0.086 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.513 -15.742 0.610 1.00 0.69 H new ATOM 0 HD21 ASN A 47 11.456 -19.171 1.614 1.00 1.24 H new ATOM 0 HD22 ASN A 47 10.640 -17.781 0.890 1.00 1.24 H new ATOM 785 N ILE A 48 11.941 -12.677 2.344 1.00 0.55 N ATOM 786 CA ILE A 48 12.291 -11.280 2.095 1.00 0.48 C ATOM 787 C ILE A 48 13.750 -11.015 2.463 1.00 0.48 C ATOM 788 O ILE A 48 14.296 -9.938 2.234 1.00 0.43 O ATOM 789 CB ILE A 48 11.371 -10.339 2.898 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.559 -8.884 2.472 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.638 -10.489 4.382 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.326 -8.652 0.998 1.00 0.38 C ATOM 0 H ILE A 48 11.214 -12.808 3.048 1.00 0.55 H new ATOM 0 HA ILE A 48 12.156 -11.084 1.031 1.00 0.48 H new ATOM 0 HB ILE A 48 10.338 -10.619 2.691 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.876 -8.256 3.043 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.571 -8.567 2.726 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.983 -9.820 4.939 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.446 -11.519 4.684 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.677 -10.237 4.592 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.477 -7.597 0.767 1.00 0.38 H new ATOM 0 HD12 ILE A 48 12.027 -9.254 0.420 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.306 -8.937 0.742 1.00 0.38 H new ATOM 804 N LYS A 49 14.372 -12.023 3.035 1.00 0.56 N ATOM 805 CA LYS A 49 15.759 -11.953 3.424 1.00 0.57 C ATOM 806 C LYS A 49 16.645 -12.325 2.246 1.00 0.55 C ATOM 807 O LYS A 49 17.861 -12.126 2.275 1.00 0.56 O ATOM 808 CB LYS A 49 15.998 -12.899 4.589 1.00 0.65 C ATOM 809 CG LYS A 49 14.991 -12.717 5.719 1.00 0.73 C ATOM 810 CD LYS A 49 14.983 -11.295 6.271 1.00 0.72 C ATOM 811 CE LYS A 49 15.822 -11.160 7.536 1.00 0.82 C ATOM 812 NZ LYS A 49 17.257 -11.489 7.317 1.00 1.11 N ATOM 0 H LYS A 49 13.926 -12.916 3.243 1.00 0.56 H new ATOM 0 HA LYS A 49 16.005 -10.937 3.732 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.952 -13.927 4.230 1.00 0.65 H new ATOM 0 HB3 LYS A 49 17.004 -12.742 4.977 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.994 -12.968 5.357 1.00 0.73 H new ATOM 0 HG3 LYS A 49 15.223 -13.414 6.524 1.00 0.73 H new ATOM 0 HD2 LYS A 49 15.362 -10.611 5.512 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.957 -10.997 6.485 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.742 -10.140 7.912 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.417 -11.817 8.306 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.802 -11.251 8.170 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.354 -12.505 7.116 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.620 -10.941 6.511 1.00 1.11 H new ATOM 826 N ASP A 50 16.017 -12.861 1.207 1.00 0.55 N ATOM 827 CA ASP A 50 16.722 -13.272 0.004 1.00 0.56 C ATOM 828 C ASP A 50 16.892 -12.115 -0.951 1.00 0.50 C ATOM 829 O ASP A 50 15.942 -11.404 -1.270 1.00 0.47 O ATOM 830 CB ASP A 50 15.984 -14.408 -0.702 1.00 0.62 C ATOM 831 CG ASP A 50 16.462 -15.776 -0.263 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.450 -16.277 -0.843 1.00 1.57 O ATOM 833 OD2 ASP A 50 15.858 -16.361 0.658 1.00 1.58 O ATOM 0 H ASP A 50 15.010 -13.022 1.176 1.00 0.55 H new ATOM 0 HA ASP A 50 17.707 -13.624 0.312 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.916 -14.320 -0.504 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.118 -14.309 -1.779 1.00 0.62 H new ATOM 838 N LYS A 51 18.115 -11.951 -1.415 1.00 0.50 N ATOM 839 CA LYS A 51 18.452 -10.915 -2.369 1.00 0.48 C ATOM 840 C LYS A 51 17.764 -11.179 -3.695 1.00 0.50 C ATOM 841 O LYS A 51 17.493 -10.258 -4.451 1.00 0.48 O ATOM 842 CB LYS A 51 19.959 -10.879 -2.566 1.00 0.53 C ATOM 843 CG LYS A 51 20.441 -9.850 -3.577 1.00 0.83 C ATOM 844 CD LYS A 51 20.180 -8.430 -3.103 1.00 0.60 C ATOM 845 CE LYS A 51 20.655 -7.407 -4.121 1.00 0.83 C ATOM 846 NZ LYS A 51 22.088 -7.591 -4.476 1.00 0.92 N ATOM 0 H LYS A 51 18.905 -12.535 -1.140 1.00 0.50 H new ATOM 0 HA LYS A 51 18.113 -9.953 -1.986 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.433 -10.675 -1.606 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.294 -11.866 -2.884 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.508 -9.985 -3.752 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.938 -10.013 -4.530 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.114 -8.296 -2.921 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.688 -8.263 -2.153 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.046 -7.484 -5.022 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.507 -6.404 -3.721 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.423 -6.763 -5.008 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.650 -7.695 -3.607 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.194 -8.444 -5.061 1.00 0.92 H new ATOM 860 N ALA A 52 17.486 -12.447 -3.967 1.00 0.55 N ATOM 861 CA ALA A 52 16.767 -12.827 -5.170 1.00 0.60 C ATOM 862 C ALA A 52 15.318 -12.425 -5.035 1.00 0.58 C ATOM 863 O ALA A 52 14.676 -12.006 -5.995 1.00 0.60 O ATOM 864 CB ALA A 52 16.868 -14.321 -5.403 1.00 0.67 C ATOM 0 H ALA A 52 17.749 -13.229 -3.368 1.00 0.55 H new ATOM 0 HA ALA A 52 17.212 -12.315 -6.024 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.323 -14.586 -6.309 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.915 -14.602 -5.515 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.439 -14.852 -4.553 1.00 0.67 H new ATOM 870 N VAL A 53 14.825 -12.528 -3.814 1.00 0.54 N ATOM 871 CA VAL A 53 13.449 -12.176 -3.515 1.00 0.53 C ATOM 872 C VAL A 53 13.297 -10.669 -3.558 1.00 0.47 C ATOM 873 O VAL A 53 12.350 -10.131 -4.133 1.00 0.48 O ATOM 874 CB VAL A 53 13.027 -12.709 -2.134 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.718 -12.087 -1.670 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.898 -14.220 -2.172 1.00 0.60 C ATOM 0 H VAL A 53 15.361 -12.854 -3.010 1.00 0.54 H new ATOM 0 HA VAL A 53 12.802 -12.634 -4.263 1.00 0.53 H new ATOM 0 HB VAL A 53 13.803 -12.430 -1.421 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.452 -12.487 -0.692 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.834 -11.005 -1.601 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.930 -12.322 -2.385 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.599 -14.584 -1.189 1.00 0.60 H new ATOM 0 HG22 VAL A 53 12.145 -14.503 -2.908 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.857 -14.660 -2.446 1.00 0.60 H new ATOM 886 N ILE A 54 14.265 -9.999 -2.964 1.00 0.42 N ATOM 887 CA ILE A 54 14.326 -8.551 -2.976 1.00 0.36 C ATOM 888 C ILE A 54 14.540 -8.028 -4.384 1.00 0.38 C ATOM 889 O ILE A 54 14.015 -6.982 -4.757 1.00 0.38 O ATOM 890 CB ILE A 54 15.454 -8.072 -2.072 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.101 -8.451 -0.641 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.677 -6.567 -2.210 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.104 -7.985 0.376 1.00 0.38 C ATOM 0 H ILE A 54 15.032 -10.444 -2.459 1.00 0.42 H new ATOM 0 HA ILE A 54 13.375 -8.166 -2.607 1.00 0.36 H new ATOM 0 HB ILE A 54 16.390 -8.549 -2.362 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.126 -8.031 -0.394 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.008 -9.535 -0.575 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.489 -6.258 -1.552 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.937 -6.331 -3.242 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.765 -6.037 -1.935 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.783 -8.293 1.371 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.077 -8.425 0.156 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.181 -6.898 0.340 1.00 0.38 H new ATOM 905 N ASP A 55 15.311 -8.771 -5.157 1.00 0.43 N ATOM 906 CA ASP A 55 15.568 -8.428 -6.542 1.00 0.47 C ATOM 907 C ASP A 55 14.258 -8.431 -7.284 1.00 0.48 C ATOM 908 O ASP A 55 13.890 -7.456 -7.915 1.00 0.49 O ATOM 909 CB ASP A 55 16.510 -9.443 -7.174 1.00 0.55 C ATOM 910 CG ASP A 55 17.034 -9.003 -8.525 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.028 -8.244 -8.568 1.00 1.44 O ATOM 912 OD2 ASP A 55 16.461 -9.430 -9.552 1.00 1.53 O ATOM 0 H ASP A 55 15.774 -9.624 -4.844 1.00 0.43 H new ATOM 0 HA ASP A 55 16.034 -7.444 -6.593 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.351 -9.616 -6.503 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.989 -10.394 -7.285 1.00 0.55 H new ATOM 917 N GLU A 56 13.548 -9.538 -7.149 1.00 0.51 N ATOM 918 CA GLU A 56 12.219 -9.700 -7.712 1.00 0.54 C ATOM 919 C GLU A 56 11.332 -8.489 -7.420 1.00 0.47 C ATOM 920 O GLU A 56 10.692 -7.944 -8.324 1.00 0.49 O ATOM 921 CB GLU A 56 11.598 -10.965 -7.132 1.00 0.58 C ATOM 922 CG GLU A 56 12.154 -12.242 -7.737 1.00 0.69 C ATOM 923 CD GLU A 56 11.977 -12.292 -9.240 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.862 -12.627 -9.699 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.947 -11.992 -9.971 1.00 1.66 O ATOM 0 H GLU A 56 13.881 -10.357 -6.641 1.00 0.51 H new ATOM 0 HA GLU A 56 12.301 -9.783 -8.796 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.763 -10.981 -6.055 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.520 -10.937 -7.289 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.214 -12.324 -7.496 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.657 -13.101 -7.286 1.00 0.69 H new ATOM 932 N ILE A 57 11.321 -8.057 -6.165 1.00 0.42 N ATOM 933 CA ILE A 57 10.504 -6.931 -5.752 1.00 0.39 C ATOM 934 C ILE A 57 11.014 -5.630 -6.356 1.00 0.36 C ATOM 935 O ILE A 57 10.302 -4.961 -7.096 1.00 0.37 O ATOM 936 CB ILE A 57 10.513 -6.800 -4.228 1.00 0.40 C ATOM 937 CG1 ILE A 57 10.021 -8.094 -3.586 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.656 -5.626 -3.799 1.00 0.59 C ATOM 939 CD1 ILE A 57 10.052 -8.069 -2.078 1.00 1.00 C ATOM 0 H ILE A 57 11.873 -8.474 -5.415 1.00 0.42 H new ATOM 0 HA ILE A 57 9.490 -7.115 -6.105 1.00 0.39 H new ATOM 0 HB ILE A 57 11.534 -6.618 -3.894 1.00 0.40 H new ATOM 0 HG12 ILE A 57 9.001 -8.289 -3.917 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.635 -8.922 -3.940 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.670 -5.543 -2.712 1.00 0.59 H new ATOM 0 HG22 ILE A 57 10.049 -4.709 -4.238 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.632 -5.780 -4.138 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.689 -9.021 -1.691 1.00 1.00 H new ATOM 0 HD12 ILE A 57 11.075 -7.905 -1.738 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.415 -7.263 -1.714 1.00 1.00 H new ATOM 951 N PHE A 58 12.257 -5.297 -6.039 1.00 0.35 N ATOM 952 CA PHE A 58 12.868 -4.047 -6.466 1.00 0.36 C ATOM 953 C PHE A 58 12.797 -3.889 -7.978 1.00 0.41 C ATOM 954 O PHE A 58 12.444 -2.830 -8.484 1.00 0.44 O ATOM 955 CB PHE A 58 14.323 -4.003 -5.995 1.00 0.38 C ATOM 956 CG PHE A 58 15.068 -2.777 -6.429 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.031 -1.622 -5.670 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.813 -2.787 -7.593 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.722 -0.497 -6.067 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.504 -1.667 -7.995 1.00 1.68 C ATOM 961 CZ PHE A 58 16.460 -0.520 -7.230 1.00 0.93 C ATOM 0 H PHE A 58 12.871 -5.887 -5.478 1.00 0.35 H new ATOM 0 HA PHE A 58 12.316 -3.220 -6.019 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.344 -4.062 -4.907 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.843 -4.884 -6.372 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.455 -1.601 -4.757 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.853 -3.684 -8.194 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.685 0.401 -5.467 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.080 -1.686 -8.908 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.004 0.359 -7.543 1.00 0.93 H new ATOM 971 N GLN A 59 13.117 -4.961 -8.684 1.00 0.45 N ATOM 972 CA GLN A 59 13.088 -4.975 -10.139 1.00 0.52 C ATOM 973 C GLN A 59 11.659 -4.811 -10.643 1.00 0.52 C ATOM 974 O GLN A 59 11.426 -4.295 -11.736 1.00 0.57 O ATOM 975 CB GLN A 59 13.681 -6.287 -10.655 1.00 0.58 C ATOM 976 CG GLN A 59 15.166 -6.455 -10.359 1.00 0.61 C ATOM 977 CD GLN A 59 16.036 -5.540 -11.195 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.473 -5.904 -12.288 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.292 -4.347 -10.689 1.00 1.63 N ATOM 0 H GLN A 59 13.404 -5.846 -8.266 1.00 0.45 H new ATOM 0 HA GLN A 59 13.684 -4.142 -10.512 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.136 -7.120 -10.210 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.527 -6.344 -11.733 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.346 -6.256 -9.303 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.454 -7.490 -10.542 1.00 0.61 H new ATOM 0 HE21 GLN A 59 15.910 -4.086 -9.780 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.872 -3.687 -11.207 1.00 1.63 H new ATOM 988 N GLY A 60 10.706 -5.257 -9.831 1.00 0.48 N ATOM 989 CA GLY A 60 9.305 -5.111 -10.170 1.00 0.49 C ATOM 990 C GLY A 60 8.819 -3.683 -10.014 1.00 0.47 C ATOM 991 O GLY A 60 7.855 -3.278 -10.666 1.00 0.53 O ATOM 0 H GLY A 60 10.882 -5.720 -8.939 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.147 -5.436 -11.199 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.710 -5.766 -9.534 1.00 0.49 H new ATOM 995 N LEU A 61 9.477 -2.913 -9.154 1.00 0.42 N ATOM 996 CA LEU A 61 9.103 -1.519 -8.957 1.00 0.44 C ATOM 997 C LEU A 61 9.938 -0.637 -9.871 1.00 0.51 C ATOM 998 O LEU A 61 9.436 0.314 -10.460 1.00 0.58 O ATOM 999 CB LEU A 61 9.290 -1.074 -7.497 1.00 0.39 C ATOM 1000 CG LEU A 61 9.378 -2.191 -6.458 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.815 -1.623 -5.117 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.041 -2.906 -6.321 1.00 0.35 C ATOM 0 H LEU A 61 10.265 -3.227 -8.587 1.00 0.42 H new ATOM 0 HA LEU A 61 8.045 -1.419 -9.200 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.199 -0.476 -7.435 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.460 -0.421 -7.229 1.00 0.39 H new ATOM 0 HG LEU A 61 10.119 -2.917 -6.792 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.875 -2.427 -4.383 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.793 -1.154 -5.222 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.091 -0.880 -4.783 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.126 -3.697 -5.576 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.278 -2.194 -6.008 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.760 -3.340 -7.281 1.00 0.35 H new ATOM 1014 N ASP A 62 11.214 -0.982 -9.995 1.00 0.50 N ATOM 1015 CA ASP A 62 12.135 -0.258 -10.867 1.00 0.59 C ATOM 1016 C ASP A 62 11.884 -0.640 -12.324 1.00 0.70 C ATOM 1017 O ASP A 62 12.708 -1.283 -12.973 1.00 0.75 O ATOM 1018 CB ASP A 62 13.590 -0.555 -10.469 1.00 0.57 C ATOM 1019 CG ASP A 62 14.609 0.201 -11.311 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.450 1.422 -11.512 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.587 -0.428 -11.766 1.00 1.11 O ATOM 0 H ASP A 62 11.639 -1.765 -9.499 1.00 0.50 H new ATOM 0 HA ASP A 62 11.962 0.812 -10.755 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.733 -0.297 -9.420 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.774 -1.625 -10.562 1.00 0.57 H new ATOM 1026 N ALA A 63 10.718 -0.252 -12.826 1.00 0.78 N ATOM 1027 CA ALA A 63 10.326 -0.557 -14.194 1.00 0.94 C ATOM 1028 C ALA A 63 11.117 0.284 -15.180 1.00 1.12 C ATOM 1029 O ALA A 63 11.282 -0.083 -16.343 1.00 1.30 O ATOM 1030 CB ALA A 63 8.833 -0.329 -14.380 1.00 0.99 C ATOM 0 H ALA A 63 10.023 0.279 -12.300 1.00 0.78 H new ATOM 0 HA ALA A 63 10.545 -1.607 -14.388 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.555 -0.561 -15.408 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.279 -0.975 -13.699 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.595 0.713 -14.166 1.00 0.99 H new ATOM 1036 N ASN A 64 11.617 1.410 -14.700 1.00 1.09 N ATOM 1037 CA ASN A 64 12.414 2.307 -15.521 1.00 1.28 C ATOM 1038 C ASN A 64 13.855 1.814 -15.617 1.00 1.21 C ATOM 1039 O ASN A 64 14.647 2.318 -16.414 1.00 1.37 O ATOM 1040 CB ASN A 64 12.357 3.736 -14.970 1.00 1.34 C ATOM 1041 CG ASN A 64 12.577 3.796 -13.471 1.00 2.03 C ATOM 1042 OD1 ASN A 64 11.629 3.691 -12.692 1.00 2.55 O ATOM 1043 ND2 ASN A 64 13.814 3.985 -13.054 1.00 2.80 N ATOM 0 H ASN A 64 11.484 1.727 -13.740 1.00 1.09 H new ATOM 0 HA ASN A 64 11.995 2.316 -16.527 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.113 4.343 -15.468 1.00 1.34 H new ATOM 0 HB3 ASN A 64 11.388 4.174 -15.208 1.00 1.34 H new ATOM 0 HD21 ASN A 64 14.011 4.049 -12.055 1.00 2.80 H new ATOM 0 HD22 ASN A 64 14.573 4.067 -13.730 1.00 2.80 H new ATOM 1050 N GLN A 65 14.165 0.811 -14.791 1.00 1.03 N ATOM 1051 CA GLN A 65 15.442 0.096 -14.830 1.00 1.05 C ATOM 1052 C GLN A 65 16.628 1.018 -14.561 1.00 1.04 C ATOM 1053 O GLN A 65 17.662 0.927 -15.223 1.00 1.17 O ATOM 1054 CB GLN A 65 15.619 -0.623 -16.172 1.00 1.31 C ATOM 1055 CG GLN A 65 14.550 -1.673 -16.447 1.00 1.37 C ATOM 1056 CD GLN A 65 14.523 -2.775 -15.404 1.00 2.03 C ATOM 1057 OE1 GLN A 65 15.549 -3.119 -14.815 1.00 2.72 O ATOM 1058 NE2 GLN A 65 13.353 -3.347 -15.176 1.00 2.57 N ATOM 0 H GLN A 65 13.530 0.470 -14.070 1.00 1.03 H new ATOM 0 HA GLN A 65 15.418 -0.645 -14.031 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.607 0.115 -16.974 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.599 -1.100 -16.193 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.574 -1.190 -16.483 1.00 1.37 H new ATOM 0 HG3 GLN A 65 14.724 -2.113 -17.429 1.00 1.37 H new ATOM 0 HE21 GLN A 65 12.525 -3.035 -15.684 1.00 2.57 H new ATOM 0 HE22 GLN A 65 13.278 -4.100 -14.493 1.00 2.57 H new ATOM 1067 N ASP A 66 16.484 1.885 -13.571 1.00 0.93 N ATOM 1068 CA ASP A 66 17.558 2.802 -13.200 1.00 0.95 C ATOM 1069 C ASP A 66 18.289 2.298 -11.973 1.00 0.81 C ATOM 1070 O ASP A 66 19.272 2.898 -11.531 1.00 0.82 O ATOM 1071 CB ASP A 66 17.015 4.198 -12.910 1.00 1.06 C ATOM 1072 CG ASP A 66 16.816 5.031 -14.157 1.00 1.42 C ATOM 1073 OD1 ASP A 66 17.777 5.699 -14.595 1.00 1.89 O ATOM 1074 OD2 ASP A 66 15.690 5.044 -14.697 1.00 2.13 O ATOM 0 H ASP A 66 15.637 1.975 -13.009 1.00 0.93 H new ATOM 0 HA ASP A 66 18.246 2.854 -14.044 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.064 4.109 -12.385 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.702 4.716 -12.241 1.00 1.06 H new ATOM 1079 N GLU A 67 17.785 1.196 -11.427 1.00 0.73 N ATOM 1080 CA GLU A 67 18.283 0.629 -10.183 1.00 0.63 C ATOM 1081 C GLU A 67 17.991 1.605 -9.052 1.00 0.58 C ATOM 1082 O GLU A 67 18.725 1.691 -8.064 1.00 0.60 O ATOM 1083 CB GLU A 67 19.782 0.323 -10.268 1.00 0.68 C ATOM 1084 CG GLU A 67 20.217 -0.832 -9.384 1.00 0.97 C ATOM 1085 CD GLU A 67 19.864 -2.182 -9.972 1.00 1.42 C ATOM 1086 OE1 GLU A 67 20.475 -2.571 -10.990 1.00 2.02 O ATOM 1087 OE2 GLU A 67 19.005 -2.877 -9.402 1.00 2.01 O ATOM 0 H GLU A 67 17.015 0.670 -11.839 1.00 0.73 H new ATOM 0 HA GLU A 67 17.777 -0.318 -9.992 1.00 0.63 H new ATOM 0 HB2 GLU A 67 20.040 0.095 -11.302 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.343 1.215 -9.989 1.00 0.68 H new ATOM 0 HG2 GLU A 67 21.294 -0.779 -9.227 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.747 -0.732 -8.405 1.00 0.97 H new ATOM 1094 N GLN A 68 16.896 2.340 -9.220 1.00 0.61 N ATOM 1095 CA GLN A 68 16.484 3.358 -8.270 1.00 0.65 C ATOM 1096 C GLN A 68 14.968 3.380 -8.158 1.00 0.66 C ATOM 1097 O GLN A 68 14.269 3.634 -9.139 1.00 0.78 O ATOM 1098 CB GLN A 68 16.983 4.741 -8.706 1.00 0.85 C ATOM 1099 CG GLN A 68 18.496 4.869 -8.744 1.00 1.38 C ATOM 1100 CD GLN A 68 18.960 6.238 -9.202 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.290 6.907 -9.987 1.00 2.16 O ATOM 1102 NE2 GLN A 68 20.114 6.663 -8.710 1.00 2.07 N ATOM 0 H GLN A 68 16.271 2.244 -10.021 1.00 0.61 H new ATOM 0 HA GLN A 68 16.919 3.117 -7.300 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.585 4.964 -9.696 1.00 0.85 H new ATOM 0 HB3 GLN A 68 16.582 5.492 -8.025 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.898 4.668 -7.751 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.903 4.110 -9.412 1.00 1.38 H new ATOM 0 HE21 GLN A 68 20.639 6.076 -8.061 1.00 2.07 H new ATOM 0 HE22 GLN A 68 20.478 7.577 -8.980 1.00 2.07 H new ATOM 1111 N VAL A 69 14.464 3.110 -6.969 1.00 0.59 N ATOM 1112 CA VAL A 69 13.033 3.165 -6.726 1.00 0.64 C ATOM 1113 C VAL A 69 12.637 4.508 -6.129 1.00 0.64 C ATOM 1114 O VAL A 69 13.300 5.034 -5.230 1.00 0.68 O ATOM 1115 CB VAL A 69 12.546 2.025 -5.806 1.00 0.72 C ATOM 1116 CG1 VAL A 69 12.608 0.695 -6.538 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.356 1.970 -4.518 1.00 1.22 C ATOM 0 H VAL A 69 15.023 2.850 -6.156 1.00 0.59 H new ATOM 0 HA VAL A 69 12.550 3.040 -7.695 1.00 0.64 H new ATOM 0 HB VAL A 69 11.510 2.227 -5.536 1.00 0.72 H new ATOM 0 HG11 VAL A 69 12.262 -0.100 -5.878 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.971 0.736 -7.422 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.636 0.494 -6.841 1.00 1.81 H new ATOM 0 HG21 VAL A 69 12.989 1.157 -3.892 1.00 1.22 H new ATOM 0 HG22 VAL A 69 14.406 1.799 -4.756 1.00 1.22 H new ATOM 0 HG23 VAL A 69 13.254 2.914 -3.983 1.00 1.22 H new ATOM 1127 N ASP A 70 11.563 5.068 -6.657 1.00 0.67 N ATOM 1128 CA ASP A 70 11.049 6.340 -6.178 1.00 0.73 C ATOM 1129 C ASP A 70 9.933 6.113 -5.173 1.00 0.64 C ATOM 1130 O ASP A 70 9.669 4.978 -4.779 1.00 0.56 O ATOM 1131 CB ASP A 70 10.518 7.182 -7.337 1.00 0.84 C ATOM 1132 CG ASP A 70 11.586 7.547 -8.345 1.00 1.38 C ATOM 1133 OD1 ASP A 70 12.312 8.536 -8.118 1.00 1.99 O ATOM 1134 OD2 ASP A 70 11.701 6.856 -9.375 1.00 2.02 O ATOM 0 H ASP A 70 11.027 4.659 -7.422 1.00 0.67 H new ATOM 0 HA ASP A 70 11.869 6.873 -5.698 1.00 0.73 H new ATOM 0 HB2 ASP A 70 9.723 6.634 -7.842 1.00 0.84 H new ATOM 0 HB3 ASP A 70 10.074 8.095 -6.941 1.00 0.84 H new ATOM 1139 N PHE A 71 9.258 7.184 -4.789 1.00 0.70 N ATOM 1140 CA PHE A 71 8.192 7.106 -3.797 1.00 0.66 C ATOM 1141 C PHE A 71 7.041 6.236 -4.300 1.00 0.55 C ATOM 1142 O PHE A 71 6.460 5.453 -3.548 1.00 0.48 O ATOM 1143 CB PHE A 71 7.662 8.504 -3.467 1.00 0.82 C ATOM 1144 CG PHE A 71 8.631 9.409 -2.748 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.899 9.657 -3.257 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.261 10.030 -1.566 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.773 10.502 -2.602 1.00 2.17 C ATOM 1148 CE2 PHE A 71 9.133 10.875 -0.905 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.391 11.111 -1.424 1.00 1.76 C ATOM 0 H PHE A 71 9.429 8.123 -5.150 1.00 0.70 H new ATOM 0 HA PHE A 71 8.610 6.656 -2.897 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.359 8.988 -4.396 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.766 8.400 -2.855 1.00 0.82 H new ATOM 0 HD1 PHE A 71 10.206 9.183 -4.177 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.278 9.852 -1.155 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.755 10.686 -3.012 1.00 2.17 H new ATOM 0 HE2 PHE A 71 8.831 11.350 0.017 1.00 1.76 H new ATOM 0 HZ PHE A 71 11.074 11.770 -0.909 1.00 1.76 H new ATOM 1159 N GLN A 72 6.717 6.379 -5.578 1.00 0.59 N ATOM 1160 CA GLN A 72 5.613 5.639 -6.172 1.00 0.56 C ATOM 1161 C GLN A 72 6.015 4.199 -6.471 1.00 0.49 C ATOM 1162 O GLN A 72 5.198 3.284 -6.403 1.00 0.47 O ATOM 1163 CB GLN A 72 5.129 6.335 -7.439 1.00 0.69 C ATOM 1164 CG GLN A 72 4.087 5.546 -8.197 1.00 0.74 C ATOM 1165 CD GLN A 72 3.455 6.339 -9.321 1.00 1.08 C ATOM 1166 OE1 GLN A 72 3.316 7.562 -9.237 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.079 5.650 -10.383 1.00 1.66 N ATOM 0 H GLN A 72 7.204 7.001 -6.223 1.00 0.59 H new ATOM 0 HA GLN A 72 4.794 5.615 -5.453 1.00 0.56 H new ATOM 0 HB2 GLN A 72 4.716 7.308 -7.175 1.00 0.69 H new ATOM 0 HB3 GLN A 72 5.982 6.518 -8.093 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.546 4.646 -8.606 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.310 5.221 -7.506 1.00 0.74 H new ATOM 0 HE21 GLN A 72 3.213 4.639 -10.409 1.00 1.66 H new ATOM 0 HE22 GLN A 72 2.654 6.129 -11.177 1.00 1.66 H new ATOM 1176 N GLU A 73 7.276 3.998 -6.795 1.00 0.49 N ATOM 1177 CA GLU A 73 7.789 2.654 -7.007 1.00 0.46 C ATOM 1178 C GLU A 73 7.819 1.921 -5.673 1.00 0.36 C ATOM 1179 O GLU A 73 7.569 0.722 -5.597 1.00 0.32 O ATOM 1180 CB GLU A 73 9.180 2.701 -7.636 1.00 0.56 C ATOM 1181 CG GLU A 73 9.295 3.689 -8.793 1.00 0.78 C ATOM 1182 CD GLU A 73 8.179 3.555 -9.819 1.00 1.15 C ATOM 1183 OE1 GLU A 73 7.130 4.217 -9.659 1.00 1.82 O ATOM 1184 OE2 GLU A 73 8.349 2.808 -10.797 1.00 1.99 O ATOM 0 H GLU A 73 7.964 4.741 -6.917 1.00 0.49 H new ATOM 0 HA GLU A 73 7.136 2.119 -7.697 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.907 2.967 -6.869 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.442 1.705 -7.993 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.292 4.704 -8.395 1.00 0.78 H new ATOM 0 HG3 GLU A 73 10.254 3.544 -9.290 1.00 0.78 H new ATOM 1191 N PHE A 74 8.103 2.671 -4.619 1.00 0.37 N ATOM 1192 CA PHE A 74 8.010 2.164 -3.260 1.00 0.34 C ATOM 1193 C PHE A 74 6.559 1.825 -2.931 1.00 0.32 C ATOM 1194 O PHE A 74 6.276 0.926 -2.145 1.00 0.33 O ATOM 1195 CB PHE A 74 8.553 3.208 -2.281 1.00 0.43 C ATOM 1196 CG PHE A 74 8.682 2.712 -0.868 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.833 2.065 -0.450 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.654 2.899 0.043 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.957 1.615 0.850 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.772 2.450 1.343 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.924 1.807 1.747 1.00 1.89 C ATOM 0 H PHE A 74 8.403 3.644 -4.682 1.00 0.37 H new ATOM 0 HA PHE A 74 8.607 1.257 -3.170 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.530 3.543 -2.628 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.896 4.077 -2.291 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.642 1.911 -1.148 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.750 3.402 -0.268 1.00 1.44 H new ATOM 0 HE1 PHE A 74 10.860 1.114 1.165 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.964 2.602 2.043 1.00 1.92 H new ATOM 0 HZ PHE A 74 9.018 1.454 2.763 1.00 1.89 H new ATOM 1211 N ILE A 75 5.646 2.545 -3.564 1.00 0.33 N ATOM 1212 CA ILE A 75 4.226 2.266 -3.438 1.00 0.35 C ATOM 1213 C ILE A 75 3.920 0.918 -4.075 1.00 0.34 C ATOM 1214 O ILE A 75 3.115 0.136 -3.563 1.00 0.36 O ATOM 1215 CB ILE A 75 3.384 3.388 -4.096 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.910 4.387 -3.048 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.205 2.825 -4.871 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.429 5.681 -3.649 1.00 0.67 C ATOM 0 H ILE A 75 5.866 3.332 -4.174 1.00 0.33 H new ATOM 0 HA ILE A 75 3.961 2.231 -2.381 1.00 0.35 H new ATOM 0 HB ILE A 75 4.026 3.907 -4.808 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.104 3.941 -2.466 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.726 4.595 -2.356 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.639 3.643 -5.317 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.569 2.164 -5.657 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.560 2.264 -4.195 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.104 6.353 -2.854 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.241 6.146 -4.208 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.593 5.482 -4.320 1.00 0.67 H new ATOM 1230 N SER A 76 4.596 0.644 -5.184 1.00 0.34 N ATOM 1231 CA SER A 76 4.484 -0.639 -5.844 1.00 0.36 C ATOM 1232 C SER A 76 4.978 -1.744 -4.919 1.00 0.31 C ATOM 1233 O SER A 76 4.409 -2.824 -4.881 1.00 0.33 O ATOM 1234 CB SER A 76 5.276 -0.636 -7.150 1.00 0.45 C ATOM 1235 OG SER A 76 4.771 0.337 -8.053 1.00 0.74 O ATOM 0 H SER A 76 5.229 1.300 -5.642 1.00 0.34 H new ATOM 0 HA SER A 76 3.436 -0.825 -6.081 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.326 -0.432 -6.941 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.228 -1.623 -7.610 1.00 0.45 H new ATOM 0 HG SER A 76 5.296 0.320 -8.880 1.00 0.74 H new ATOM 1241 N LEU A 77 6.026 -1.456 -4.154 1.00 0.28 N ATOM 1242 CA LEU A 77 6.522 -2.394 -3.151 1.00 0.26 C ATOM 1243 C LEU A 77 5.406 -2.801 -2.207 1.00 0.23 C ATOM 1244 O LEU A 77 5.218 -3.980 -1.917 1.00 0.23 O ATOM 1245 CB LEU A 77 7.645 -1.767 -2.326 1.00 0.30 C ATOM 1246 CG LEU A 77 7.876 -2.439 -0.970 1.00 0.38 C ATOM 1247 CD1 LEU A 77 8.656 -3.728 -1.134 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.564 -1.492 -0.003 1.00 1.15 C ATOM 0 H LEU A 77 6.548 -0.582 -4.209 1.00 0.28 H new ATOM 0 HA LEU A 77 6.901 -3.268 -3.680 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.570 -1.807 -2.901 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.417 -0.714 -2.163 1.00 0.30 H new ATOM 0 HG LEU A 77 6.904 -2.691 -0.545 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.808 -4.188 -0.158 1.00 1.11 H new ATOM 0 HD12 LEU A 77 8.098 -4.412 -1.774 1.00 1.11 H new ATOM 0 HD13 LEU A 77 9.623 -3.513 -1.588 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.716 -1.995 0.952 1.00 1.15 H new ATOM 0 HD22 LEU A 77 9.528 -1.191 -0.412 1.00 1.15 H new ATOM 0 HD23 LEU A 77 7.942 -0.609 0.146 1.00 1.15 H new ATOM 1260 N VAL A 78 4.669 -1.808 -1.736 1.00 0.24 N ATOM 1261 CA VAL A 78 3.596 -2.042 -0.790 1.00 0.25 C ATOM 1262 C VAL A 78 2.510 -2.876 -1.436 1.00 0.27 C ATOM 1263 O VAL A 78 1.840 -3.644 -0.773 1.00 0.28 O ATOM 1264 CB VAL A 78 2.985 -0.726 -0.288 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.087 -0.982 0.909 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.083 0.275 0.050 1.00 0.31 C ATOM 0 H VAL A 78 4.797 -0.830 -1.996 1.00 0.24 H new ATOM 0 HA VAL A 78 4.021 -2.572 0.062 1.00 0.25 H new ATOM 0 HB VAL A 78 2.373 -0.298 -1.082 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.662 -0.039 1.253 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.283 -1.660 0.622 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.671 -1.431 1.712 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.633 1.203 0.404 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.725 -0.138 0.829 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.678 0.477 -0.841 1.00 0.31 H new ATOM 1276 N ALA A 79 2.350 -2.724 -2.739 1.00 0.31 N ATOM 1277 CA ALA A 79 1.424 -3.552 -3.488 1.00 0.35 C ATOM 1278 C ALA A 79 1.831 -5.020 -3.377 1.00 0.33 C ATOM 1279 O ALA A 79 1.018 -5.889 -3.060 1.00 0.33 O ATOM 1280 CB ALA A 79 1.399 -3.114 -4.943 1.00 0.43 C ATOM 0 H ALA A 79 2.850 -2.034 -3.300 1.00 0.31 H new ATOM 0 HA ALA A 79 0.423 -3.437 -3.073 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.702 -3.740 -5.500 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.081 -2.073 -5.004 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.397 -3.214 -5.370 1.00 0.43 H new ATOM 1286 N ILE A 80 3.110 -5.268 -3.621 1.00 0.32 N ATOM 1287 CA ILE A 80 3.699 -6.600 -3.499 1.00 0.32 C ATOM 1288 C ILE A 80 3.565 -7.112 -2.067 1.00 0.28 C ATOM 1289 O ILE A 80 3.259 -8.278 -1.837 1.00 0.31 O ATOM 1290 CB ILE A 80 5.203 -6.579 -3.903 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.394 -6.533 -5.429 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.939 -7.787 -3.336 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.693 -5.391 -6.134 1.00 0.40 C ATOM 0 H ILE A 80 3.774 -4.550 -3.911 1.00 0.32 H new ATOM 0 HA ILE A 80 3.161 -7.267 -4.173 1.00 0.32 H new ATOM 0 HB ILE A 80 5.624 -5.667 -3.480 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.461 -6.471 -5.643 1.00 0.38 H new ATOM 0 HG13 ILE A 80 5.038 -7.473 -5.852 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.987 -7.747 -3.633 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.870 -7.778 -2.248 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.487 -8.702 -3.720 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.890 -5.448 -7.204 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.619 -5.459 -5.959 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.064 -4.442 -5.747 1.00 0.40 H new ATOM 1305 N ALA A 81 3.770 -6.218 -1.114 1.00 0.23 N ATOM 1306 CA ALA A 81 3.790 -6.576 0.294 1.00 0.23 C ATOM 1307 C ALA A 81 2.381 -6.785 0.862 1.00 0.23 C ATOM 1308 O ALA A 81 2.173 -7.625 1.738 1.00 0.28 O ATOM 1309 CB ALA A 81 4.549 -5.516 1.063 1.00 0.24 C ATOM 0 H ALA A 81 3.927 -5.226 -1.294 1.00 0.23 H new ATOM 0 HA ALA A 81 4.299 -7.534 0.401 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.568 -5.778 2.121 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.570 -5.454 0.686 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.056 -4.552 0.937 1.00 0.24 H new ATOM 1315 N LEU A 82 1.415 -6.031 0.363 1.00 0.22 N ATOM 1316 CA LEU A 82 0.020 -6.247 0.722 1.00 0.23 C ATOM 1317 C LEU A 82 -0.445 -7.557 0.119 1.00 0.24 C ATOM 1318 O LEU A 82 -1.265 -8.278 0.690 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.862 -5.107 0.217 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.578 -3.736 0.826 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.465 -2.694 0.187 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.786 -3.759 2.328 1.00 0.31 C ATOM 0 H LEU A 82 1.569 -5.264 -0.291 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.062 -6.281 1.808 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.749 -5.035 -0.865 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.903 -5.363 0.412 1.00 0.25 H new ATOM 0 HG LEU A 82 0.464 -3.481 0.633 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.256 -1.719 0.627 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.270 -2.658 -0.885 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.510 -2.952 0.357 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.578 -2.771 2.739 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.818 -4.034 2.548 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.112 -4.489 2.777 1.00 0.31 H new ATOM 1334 N LYS A 83 0.091 -7.855 -1.052 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.150 -9.124 -1.699 1.00 0.33 C ATOM 1336 C LYS A 83 0.617 -10.237 -1.000 1.00 0.31 C ATOM 1337 O LYS A 83 0.289 -11.404 -1.141 1.00 0.44 O ATOM 1338 CB LYS A 83 0.210 -9.051 -3.175 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.006 -8.772 -4.018 1.00 0.66 C ATOM 1340 CD LYS A 83 -0.919 -9.375 -5.395 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.298 -9.826 -5.825 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.425 -9.937 -7.305 1.00 1.67 N ATOM 0 H LYS A 83 0.701 -7.226 -1.574 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.213 -9.352 -1.625 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.953 -8.269 -3.333 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.665 -9.991 -3.488 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.889 -9.162 -3.512 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -1.140 -7.694 -4.107 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.525 -8.644 -6.101 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.230 -10.220 -5.393 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.519 -10.792 -5.371 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.041 -9.121 -5.452 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.199 -10.591 -7.539 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.630 -9.000 -7.707 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -1.535 -10.297 -7.704 1.00 1.67 H new ATOM 1356 N ALA A 84 1.634 -9.867 -0.244 1.00 0.31 N ATOM 1357 CA ALA A 84 2.332 -10.817 0.605 1.00 0.35 C ATOM 1358 C ALA A 84 1.448 -11.191 1.782 1.00 0.33 C ATOM 1359 O ALA A 84 1.552 -12.280 2.342 1.00 0.40 O ATOM 1360 CB ALA A 84 3.645 -10.229 1.089 1.00 0.48 C ATOM 0 H ALA A 84 1.996 -8.914 -0.200 1.00 0.31 H new ATOM 0 HA ALA A 84 2.555 -11.715 0.029 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.156 -10.953 1.724 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.275 -9.990 0.232 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.449 -9.321 1.659 1.00 0.48 H new ATOM 1366 N ALA A 85 0.581 -10.266 2.156 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.374 -10.503 3.223 1.00 0.38 C ATOM 1368 C ALA A 85 -1.614 -11.251 2.721 1.00 0.44 C ATOM 1369 O ALA A 85 -1.950 -12.310 3.243 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.761 -9.188 3.877 1.00 0.43 C ATOM 0 H ALA A 85 0.519 -9.340 1.734 1.00 0.30 H new ATOM 0 HA ALA A 85 0.104 -11.140 3.967 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -1.478 -9.376 4.676 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.128 -8.712 4.291 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -1.211 -8.530 3.133 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.300 -10.713 1.710 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.544 -11.328 1.247 1.00 0.59 C ATOM 1378 C HIS A 86 -3.292 -12.438 0.218 1.00 0.63 C ATOM 1379 O HIS A 86 -3.863 -13.520 0.310 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.524 -10.267 0.697 1.00 0.69 C ATOM 1381 CG HIS A 86 -4.243 -9.728 -0.673 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -4.572 -10.396 -1.830 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -3.717 -8.546 -1.063 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -4.259 -9.653 -2.869 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -3.739 -8.521 -2.434 1.00 2.68 N ATOM 0 H HIS A 86 -2.022 -9.871 1.206 1.00 0.44 H new ATOM 0 HA HIS A 86 -4.009 -11.797 2.114 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.524 -10.700 0.692 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.542 -9.429 1.394 1.00 0.69 H new ATOM 0 HD1 HIS A 86 -4.993 -11.324 -1.875 1.00 2.06 H new ATOM 0 HD2 HIS A 86 -3.348 -7.765 -0.415 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -4.403 -9.924 -3.904 1.00 2.66 H new ATOM 1394 N TYR A 87 -2.411 -12.171 -0.735 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.126 -13.091 -1.835 1.00 0.65 C ATOM 1396 C TYR A 87 -0.989 -14.029 -1.441 1.00 0.62 C ATOM 1397 O TYR A 87 -0.243 -14.506 -2.293 1.00 0.66 O ATOM 1398 CB TYR A 87 -1.789 -12.327 -3.117 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.110 -13.097 -4.379 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.428 -13.312 -4.756 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.103 -13.603 -5.193 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.737 -14.011 -5.906 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.405 -14.304 -6.346 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.724 -14.505 -6.697 1.00 1.29 C ATOM 1405 OH TYR A 87 -3.032 -15.200 -7.845 1.00 1.52 O ATOM 0 H TYR A 87 -1.870 -11.307 -0.770 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.018 -13.685 -2.035 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.339 -11.386 -3.125 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -0.728 -12.076 -3.113 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.226 -12.926 -4.139 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.070 -13.446 -4.921 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -4.769 -14.170 -6.184 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.612 -14.692 -6.969 1.00 1.55 H new ATOM 0 HH TYR A 87 -2.205 -15.480 -8.290 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.814 -14.153 -0.127 1.00 0.59 N ATOM 1416 CA HIS A 88 0.281 -14.883 0.542 1.00 0.62 C ATOM 1417 C HIS A 88 0.561 -16.319 0.039 1.00 0.69 C ATOM 1418 O HIS A 88 1.189 -17.099 0.748 1.00 0.75 O ATOM 1419 CB HIS A 88 -0.022 -14.935 2.046 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.330 -15.590 2.399 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -2.352 -14.924 3.041 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.773 -16.856 2.215 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -3.362 -15.749 3.234 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -3.038 -16.927 2.742 1.00 3.26 N ATOM 0 H HIS A 88 -1.459 -13.729 0.540 1.00 0.59 H new ATOM 0 HA HIS A 88 1.186 -14.325 0.302 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.784 -15.470 2.547 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.022 -13.918 2.439 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -2.330 -13.944 3.323 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -1.231 -17.661 1.741 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -4.297 -15.501 3.714 1.00 3.25 H new ATOM 1433 N THR A 89 0.110 -16.673 -1.148 1.00 0.73 N ATOM 1434 CA THR A 89 0.372 -17.991 -1.704 1.00 0.81 C ATOM 1435 C THR A 89 1.859 -18.165 -2.049 1.00 0.72 C ATOM 1436 O THR A 89 2.444 -19.212 -1.782 1.00 1.05 O ATOM 1437 CB THR A 89 -0.510 -18.258 -2.953 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.143 -19.498 -3.575 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.401 -17.125 -3.967 1.00 0.89 C ATOM 0 H THR A 89 -0.443 -16.064 -1.751 1.00 0.73 H new ATOM 0 HA THR A 89 0.113 -18.724 -0.940 1.00 0.81 H new ATOM 0 HB THR A 89 -1.544 -18.317 -2.614 1.00 0.97 H new ATOM 0 HG1 THR A 89 -0.710 -19.651 -4.360 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.032 -17.346 -4.828 1.00 0.89 H new ATOM 0 HG22 THR A 89 -0.728 -16.192 -3.507 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.635 -17.026 -4.292 1.00 0.89 H new ATOM 1447 N HIS A 90 2.474 -17.133 -2.630 1.00 0.65 N ATOM 1448 CA HIS A 90 3.893 -17.198 -3.004 1.00 0.64 C ATOM 1449 C HIS A 90 4.596 -15.887 -2.728 1.00 0.93 C ATOM 1450 O HIS A 90 5.681 -15.628 -3.246 1.00 1.77 O ATOM 1451 CB HIS A 90 4.060 -17.557 -4.479 1.00 0.91 C ATOM 1452 CG HIS A 90 3.607 -18.942 -4.825 1.00 1.72 C ATOM 1453 ND1 HIS A 90 4.344 -20.068 -4.538 1.00 2.44 N ATOM 1454 CD2 HIS A 90 2.478 -19.380 -5.428 1.00 2.68 C ATOM 1455 CE1 HIS A 90 3.690 -21.137 -4.946 1.00 3.33 C ATOM 1456 NE2 HIS A 90 2.554 -20.747 -5.489 1.00 3.47 N ATOM 0 H HIS A 90 2.018 -16.248 -2.851 1.00 0.65 H new ATOM 0 HA HIS A 90 4.346 -17.979 -2.393 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.500 -16.842 -5.082 1.00 0.91 H new ATOM 0 HB3 HIS A 90 5.110 -17.451 -4.751 1.00 0.91 H new ATOM 0 HD2 HIS A 90 1.668 -18.767 -5.793 1.00 2.68 H new ATOM 0 HE1 HIS A 90 4.027 -22.159 -4.852 1.00 3.33 H new ATOM 0 HE2 HIS A 90 1.846 -21.363 -5.890 1.00 3.47 H new ATOM 1465 N LYS A 91 3.968 -15.055 -1.926 1.00 0.91 N ATOM 1466 CA LYS A 91 4.611 -13.853 -1.439 1.00 1.63 C ATOM 1467 C LYS A 91 4.700 -13.922 0.076 1.00 2.59 C ATOM 1468 O LYS A 91 4.935 -12.927 0.745 1.00 3.47 O ATOM 1469 CB LYS A 91 3.869 -12.598 -1.914 1.00 1.09 C ATOM 1470 CG LYS A 91 4.130 -12.277 -3.380 1.00 1.28 C ATOM 1471 CD LYS A 91 3.330 -11.077 -3.869 1.00 0.87 C ATOM 1472 CE LYS A 91 3.712 -10.706 -5.295 1.00 0.78 C ATOM 1473 NZ LYS A 91 3.486 -11.821 -6.254 1.00 1.28 N ATOM 0 H LYS A 91 3.012 -15.188 -1.597 1.00 0.91 H new ATOM 0 HA LYS A 91 5.620 -13.786 -1.846 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.798 -12.735 -1.762 1.00 1.09 H new ATOM 0 HB3 LYS A 91 4.172 -11.749 -1.301 1.00 1.09 H new ATOM 0 HG2 LYS A 91 5.193 -12.082 -3.522 1.00 1.28 H new ATOM 0 HG3 LYS A 91 3.882 -13.147 -3.988 1.00 1.28 H new ATOM 0 HD2 LYS A 91 2.265 -11.303 -3.822 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.505 -10.227 -3.210 1.00 0.87 H new ATOM 0 HE2 LYS A 91 3.132 -9.838 -5.609 1.00 0.78 H new ATOM 0 HE3 LYS A 91 4.762 -10.415 -5.322 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 3.615 -11.474 -7.226 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 4.167 -12.584 -6.066 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 2.518 -12.185 -6.142 1.00 1.28 H new ATOM 1487 N GLU A 92 4.540 -15.135 0.593 1.00 2.69 N ATOM 1488 CA GLU A 92 4.633 -15.392 2.025 1.00 3.81 C ATOM 1489 C GLU A 92 5.241 -16.774 2.241 1.00 4.36 C ATOM 1490 O GLU A 92 6.338 -16.865 2.828 1.00 4.92 O ATOM 1491 CB GLU A 92 3.243 -15.304 2.669 1.00 4.66 C ATOM 1492 CG GLU A 92 3.243 -15.066 4.176 1.00 5.75 C ATOM 1493 CD GLU A 92 3.715 -16.257 4.985 1.00 6.58 C ATOM 1494 OE1 GLU A 92 3.033 -17.304 4.977 1.00 7.00 O ATOM 1495 OE2 GLU A 92 4.765 -16.148 5.652 1.00 7.09 O ATOM 1496 OXT GLU A 92 4.642 -17.765 1.771 1.00 4.64 O ATOM 0 H GLU A 92 4.343 -15.965 0.034 1.00 2.69 H new ATOM 0 HA GLU A 92 5.270 -14.642 2.494 1.00 3.81 H new ATOM 0 HB2 GLU A 92 2.688 -14.498 2.189 1.00 4.66 H new ATOM 0 HB3 GLU A 92 2.705 -16.229 2.463 1.00 4.66 H new ATOM 0 HG2 GLU A 92 3.882 -14.211 4.399 1.00 5.75 H new ATOM 0 HG3 GLU A 92 2.234 -14.801 4.492 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 13.013 0.648 12.737 1.00 4.70 N ATOM 1505 CA MET B 1 12.033 -0.455 12.837 1.00 4.22 C ATOM 1506 C MET B 1 10.776 0.038 13.536 1.00 3.60 C ATOM 1507 O MET B 1 10.841 0.920 14.394 1.00 4.04 O ATOM 1508 CB MET B 1 12.632 -1.646 13.600 1.00 4.51 C ATOM 1509 CG MET B 1 12.775 -1.434 15.103 1.00 5.00 C ATOM 1510 SD MET B 1 13.905 -0.098 15.538 1.00 5.79 S ATOM 1511 CE MET B 1 13.832 -0.175 17.326 1.00 6.42 C ATOM 0 H1 MET B 1 13.796 0.362 12.115 1.00 4.70 H new ATOM 0 H2 MET B 1 12.548 1.491 12.343 1.00 4.70 H new ATOM 0 H3 MET B 1 13.385 0.868 13.683 1.00 4.70 H new ATOM 0 HA MET B 1 11.777 -0.788 11.831 1.00 4.22 H new ATOM 0 HB2 MET B 1 12.006 -2.522 13.428 1.00 4.51 H new ATOM 0 HB3 MET B 1 13.614 -1.870 13.183 1.00 4.51 H new ATOM 0 HG2 MET B 1 11.794 -1.221 15.527 1.00 5.00 H new ATOM 0 HG3 MET B 1 13.126 -2.359 15.560 1.00 5.00 H new ATOM 0 HE1 MET B 1 14.480 0.592 17.750 1.00 6.42 H new ATOM 0 HE2 MET B 1 12.807 -0.007 17.656 1.00 6.42 H new ATOM 0 HE3 MET B 1 14.165 -1.157 17.662 1.00 6.42 H new ATOM 1523 N THR B 2 9.631 -0.515 13.162 1.00 3.07 N ATOM 1524 CA THR B 2 8.367 -0.079 13.729 1.00 2.91 C ATOM 1525 C THR B 2 7.639 -1.229 14.420 1.00 2.45 C ATOM 1526 O THR B 2 7.745 -1.398 15.632 1.00 3.04 O ATOM 1527 CB THR B 2 7.459 0.524 12.647 1.00 3.67 C ATOM 1528 OG1 THR B 2 8.260 1.195 11.672 1.00 4.26 O ATOM 1529 CG2 THR B 2 6.467 1.506 13.255 1.00 4.23 C ATOM 0 H THR B 2 9.553 -1.262 12.472 1.00 3.07 H new ATOM 0 HA THR B 2 8.596 0.685 14.472 1.00 2.91 H new ATOM 0 HB THR B 2 6.899 -0.284 12.175 1.00 3.67 H new ATOM 0 HG1 THR B 2 8.707 0.533 11.104 1.00 4.26 H new ATOM 0 HG21 THR B 2 5.836 1.919 12.468 1.00 4.23 H new ATOM 0 HG22 THR B 2 5.845 0.989 13.986 1.00 4.23 H new ATOM 0 HG23 THR B 2 7.009 2.314 13.747 1.00 4.23 H new ATOM 1537 N LYS B 3 6.906 -2.026 13.650 1.00 2.16 N ATOM 1538 CA LYS B 3 6.144 -3.132 14.217 1.00 2.53 C ATOM 1539 C LYS B 3 6.546 -4.446 13.561 1.00 2.08 C ATOM 1540 O LYS B 3 7.322 -5.217 14.128 1.00 2.81 O ATOM 1541 CB LYS B 3 4.640 -2.901 14.022 1.00 3.53 C ATOM 1542 CG LYS B 3 4.097 -1.665 14.723 1.00 4.29 C ATOM 1543 CD LYS B 3 4.087 -1.832 16.233 1.00 5.37 C ATOM 1544 CE LYS B 3 3.481 -0.617 16.915 1.00 5.97 C ATOM 1545 NZ LYS B 3 3.373 -0.794 18.386 1.00 6.04 N ATOM 0 H LYS B 3 6.824 -1.928 12.638 1.00 2.16 H new ATOM 0 HA LYS B 3 6.362 -3.184 15.284 1.00 2.53 H new ATOM 0 HB2 LYS B 3 4.433 -2.819 12.955 1.00 3.53 H new ATOM 0 HB3 LYS B 3 4.101 -3.776 14.385 1.00 3.53 H new ATOM 0 HG2 LYS B 3 4.704 -0.800 14.457 1.00 4.29 H new ATOM 0 HG3 LYS B 3 3.085 -1.464 14.373 1.00 4.29 H new ATOM 0 HD2 LYS B 3 3.519 -2.723 16.499 1.00 5.37 H new ATOM 0 HD3 LYS B 3 5.105 -1.984 16.592 1.00 5.37 H new ATOM 0 HE2 LYS B 3 4.092 0.260 16.700 1.00 5.97 H new ATOM 0 HE3 LYS B 3 2.491 -0.426 16.500 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 2.955 0.059 18.809 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 2.769 -1.615 18.593 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 4.320 -0.950 18.787 1.00 6.04 H new ATOM 1559 N LEU B 4 6.041 -4.647 12.338 1.00 1.61 N ATOM 1560 CA LEU B 4 6.308 -5.840 11.532 1.00 1.98 C ATOM 1561 C LEU B 4 5.268 -5.939 10.418 1.00 1.51 C ATOM 1562 O LEU B 4 5.485 -5.469 9.303 1.00 2.03 O ATOM 1563 CB LEU B 4 6.273 -7.125 12.374 1.00 3.02 C ATOM 1564 CG LEU B 4 6.662 -8.407 11.636 1.00 3.80 C ATOM 1565 CD1 LEU B 4 8.116 -8.355 11.192 1.00 4.50 C ATOM 1566 CD2 LEU B 4 6.420 -9.619 12.519 1.00 4.44 C ATOM 0 H LEU B 4 5.428 -3.976 11.876 1.00 1.61 H new ATOM 0 HA LEU B 4 7.310 -5.742 11.115 1.00 1.98 H new ATOM 0 HB2 LEU B 4 6.942 -6.999 13.225 1.00 3.02 H new ATOM 0 HB3 LEU B 4 5.267 -7.248 12.775 1.00 3.02 H new ATOM 0 HG LEU B 4 6.037 -8.493 10.747 1.00 3.80 H new ATOM 0 HD11 LEU B 4 8.370 -9.277 10.669 1.00 4.50 H new ATOM 0 HD12 LEU B 4 8.262 -7.507 10.523 1.00 4.50 H new ATOM 0 HD13 LEU B 4 8.759 -8.244 12.065 1.00 4.50 H new ATOM 0 HD21 LEU B 4 6.701 -10.524 11.980 1.00 4.44 H new ATOM 0 HD22 LEU B 4 7.020 -9.535 13.425 1.00 4.44 H new ATOM 0 HD23 LEU B 4 5.364 -9.669 12.786 1.00 4.44 H new ATOM 1578 N GLU B 5 4.112 -6.501 10.748 1.00 1.20 N ATOM 1579 CA GLU B 5 3.066 -6.745 9.763 1.00 0.94 C ATOM 1580 C GLU B 5 1.906 -5.762 9.897 1.00 0.69 C ATOM 1581 O GLU B 5 1.101 -5.632 8.981 1.00 0.69 O ATOM 1582 CB GLU B 5 2.553 -8.190 9.868 1.00 1.39 C ATOM 1583 CG GLU B 5 2.625 -8.794 11.269 1.00 1.80 C ATOM 1584 CD GLU B 5 1.915 -7.970 12.325 1.00 2.48 C ATOM 1585 OE1 GLU B 5 0.687 -8.121 12.485 1.00 3.10 O ATOM 1586 OE2 GLU B 5 2.592 -7.170 13.006 1.00 3.00 O ATOM 0 H GLU B 5 3.875 -6.798 11.695 1.00 1.20 H new ATOM 0 HA GLU B 5 3.510 -6.593 8.779 1.00 0.94 H new ATOM 0 HB2 GLU B 5 1.518 -8.219 9.528 1.00 1.39 H new ATOM 0 HB3 GLU B 5 3.130 -8.816 9.187 1.00 1.39 H new ATOM 0 HG2 GLU B 5 2.190 -9.793 11.247 1.00 1.80 H new ATOM 0 HG3 GLU B 5 3.671 -8.908 11.553 1.00 1.80 H new ATOM 1593 N GLU B 6 1.841 -5.067 11.034 1.00 0.68 N ATOM 1594 CA GLU B 6 0.763 -4.112 11.322 1.00 0.67 C ATOM 1595 C GLU B 6 0.465 -3.196 10.131 1.00 0.54 C ATOM 1596 O GLU B 6 -0.689 -2.922 9.824 1.00 0.60 O ATOM 1597 CB GLU B 6 1.128 -3.269 12.549 1.00 0.78 C ATOM 1598 CG GLU B 6 0.115 -2.181 12.891 1.00 1.06 C ATOM 1599 CD GLU B 6 -1.267 -2.725 13.194 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -1.431 -3.398 14.233 1.00 2.48 O ATOM 1601 OE2 GLU B 6 -2.201 -2.468 12.405 1.00 2.51 O ATOM 0 H GLU B 6 2.531 -5.148 11.781 1.00 0.68 H new ATOM 0 HA GLU B 6 -0.139 -4.690 11.523 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.237 -3.930 13.409 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.099 -2.804 12.379 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.474 -1.618 13.753 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.048 -1.481 12.058 1.00 1.06 H new ATOM 1608 N HIS B 7 1.504 -2.749 9.443 1.00 0.42 N ATOM 1609 CA HIS B 7 1.325 -1.827 8.329 1.00 0.38 C ATOM 1610 C HIS B 7 0.636 -2.520 7.155 1.00 0.35 C ATOM 1611 O HIS B 7 -0.483 -2.169 6.792 1.00 0.39 O ATOM 1612 CB HIS B 7 2.669 -1.230 7.895 1.00 0.43 C ATOM 1613 CG HIS B 7 3.229 -0.244 8.878 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.583 -0.030 9.061 1.00 1.73 N ATOM 1615 CD2 HIS B 7 2.601 0.596 9.733 1.00 1.60 C ATOM 1616 CE1 HIS B 7 4.755 0.899 9.989 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.568 1.291 10.409 1.00 2.03 N ATOM 0 H HIS B 7 2.473 -3.006 9.633 1.00 0.42 H new ATOM 0 HA HIS B 7 0.684 -1.012 8.665 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.387 -2.037 7.752 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.545 -0.739 6.930 1.00 0.43 H new ATOM 0 HD2 HIS B 7 1.533 0.699 9.859 1.00 1.60 H new ATOM 0 HE1 HIS B 7 5.705 1.272 10.342 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.397 1.999 11.123 1.00 2.03 H new ATOM 1626 N LEU B 8 1.297 -3.524 6.600 1.00 0.34 N ATOM 1627 CA LEU B 8 0.793 -4.245 5.434 1.00 0.33 C ATOM 1628 C LEU B 8 -0.441 -5.060 5.775 1.00 0.34 C ATOM 1629 O LEU B 8 -1.521 -4.851 5.222 1.00 0.34 O ATOM 1630 CB LEU B 8 1.872 -5.181 4.925 1.00 0.33 C ATOM 1631 CG LEU B 8 3.199 -4.496 4.621 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.257 -5.520 4.284 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.037 -3.491 3.490 1.00 0.33 C ATOM 0 H LEU B 8 2.196 -3.864 6.942 1.00 0.34 H new ATOM 0 HA LEU B 8 0.523 -3.513 4.673 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.040 -5.962 5.667 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.514 -5.673 4.021 1.00 0.33 H new ATOM 0 HG LEU B 8 3.520 -3.954 5.511 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.198 -5.014 4.070 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.392 -6.195 5.129 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.945 -6.091 3.410 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.995 -3.013 3.288 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.692 -4.005 2.593 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.307 -2.734 3.778 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.275 -5.975 6.712 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.324 -6.912 7.051 1.00 0.40 C ATOM 1647 C GLU B 9 -2.450 -6.195 7.782 1.00 0.40 C ATOM 1648 O GLU B 9 -3.570 -6.681 7.829 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.770 -8.063 7.889 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.660 -9.290 7.879 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.148 -10.397 8.773 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.443 -10.363 9.984 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -0.458 -11.311 8.269 1.00 2.41 O ATOM 0 H GLU B 9 0.582 -6.088 7.253 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.727 -7.335 6.131 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.217 -8.335 7.514 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.639 -7.725 8.917 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.663 -9.007 8.198 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.743 -9.664 6.858 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.138 -5.037 8.359 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.161 -4.216 8.977 1.00 0.43 C ATOM 1662 C GLY B 10 -4.062 -3.552 7.950 1.00 0.39 C ATOM 1663 O GLY B 10 -5.251 -3.355 8.193 1.00 0.44 O ATOM 0 H GLY B 10 -1.194 -4.654 8.409 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.765 -4.832 9.644 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.688 -3.450 9.592 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.498 -3.198 6.797 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.293 -2.664 5.696 1.00 0.33 C ATOM 1669 C ILE B 11 -5.153 -3.775 5.101 1.00 0.33 C ATOM 1670 O ILE B 11 -6.285 -3.561 4.673 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.400 -2.037 4.602 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.663 -0.822 5.165 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.230 -1.640 3.386 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.671 -0.208 4.203 1.00 1.16 C ATOM 0 H ILE B 11 -2.499 -3.271 6.602 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.934 -1.875 6.090 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.668 -2.779 4.283 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.394 -0.065 5.450 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.138 -1.116 6.074 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.580 -1.201 2.629 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.720 -2.523 2.976 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.985 -0.912 3.683 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.189 0.648 4.675 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.916 -0.948 3.937 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.192 0.119 3.303 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.606 -4.973 5.108 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.338 -6.153 4.685 1.00 0.38 C ATOM 1688 C VAL B 12 -6.379 -6.528 5.747 1.00 0.40 C ATOM 1689 O VAL B 12 -7.429 -7.100 5.446 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.353 -7.312 4.423 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.069 -8.618 4.135 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.441 -6.948 3.265 1.00 0.48 C ATOM 0 H VAL B 12 -3.648 -5.158 5.405 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.868 -5.945 3.755 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.764 -7.462 5.328 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.335 -9.404 3.957 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.690 -8.888 4.989 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.697 -8.502 3.252 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.745 -7.766 3.079 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.040 -6.771 2.372 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.882 -6.045 3.512 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.090 -6.153 6.985 1.00 0.42 N ATOM 1703 CA ASN B 13 -6.987 -6.394 8.106 1.00 0.49 C ATOM 1704 C ASN B 13 -8.234 -5.530 7.993 1.00 0.48 C ATOM 1705 O ASN B 13 -9.343 -6.031 8.124 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.272 -6.117 9.431 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.174 -6.276 10.641 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.094 -7.092 10.650 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -6.910 -5.495 11.678 1.00 1.42 N ATOM 0 H ASN B 13 -5.227 -5.673 7.241 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.289 -7.441 8.082 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.423 -6.794 9.527 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.871 -5.104 9.415 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.479 -5.559 12.522 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.138 -4.830 11.632 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.055 -4.236 7.731 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.196 -3.332 7.576 1.00 0.57 C ATOM 1718 C ILE B 14 -10.031 -3.740 6.365 1.00 0.53 C ATOM 1719 O ILE B 14 -11.264 -3.615 6.363 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.764 -1.851 7.453 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.786 -1.651 6.296 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.138 -1.383 8.752 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.328 -0.218 6.120 1.00 2.06 C ATOM 0 H ILE B 14 -7.143 -3.793 7.622 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.799 -3.417 8.480 1.00 0.57 H new ATOM 0 HB ILE B 14 -9.654 -1.256 7.247 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.913 -2.284 6.457 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.257 -1.987 5.373 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -7.837 -0.340 8.656 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -8.863 -1.479 9.560 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -7.263 -1.994 8.975 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.636 -0.158 5.280 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.191 0.419 5.926 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -6.826 0.118 7.028 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.339 -4.262 5.356 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.974 -4.821 4.172 1.00 0.59 C ATOM 1737 C PHE B 15 -10.930 -5.947 4.567 1.00 0.61 C ATOM 1738 O PHE B 15 -12.008 -6.094 3.994 1.00 0.70 O ATOM 1739 CB PHE B 15 -8.888 -5.338 3.223 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.401 -5.976 1.965 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -9.897 -5.201 0.933 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -9.373 -7.350 1.810 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -10.358 -5.783 -0.230 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -9.830 -7.937 0.650 1.00 2.54 C ATOM 1745 CZ PHE B 15 -10.323 -7.154 -0.372 1.00 2.58 C ATOM 0 H PHE B 15 -8.320 -4.308 5.339 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.555 -4.050 3.666 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.237 -4.507 2.952 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.274 -6.063 3.757 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -9.924 -4.127 1.039 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -8.989 -7.970 2.607 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -10.745 -5.166 -1.027 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -9.802 -9.011 0.541 1.00 2.54 H new ATOM 0 HZ PHE B 15 -10.681 -7.613 -1.282 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.525 -6.725 5.563 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.347 -7.814 6.079 1.00 0.72 C ATOM 1757 C HIS B 16 -12.337 -7.320 7.136 1.00 0.75 C ATOM 1758 O HIS B 16 -13.318 -7.998 7.442 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.471 -8.929 6.654 1.00 0.77 C ATOM 1760 CG HIS B 16 -9.909 -9.848 5.612 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.426 -11.098 5.355 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -8.866 -9.696 4.765 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -9.727 -11.673 4.397 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -8.773 -10.846 4.020 1.00 2.23 N ATOM 0 H HIS B 16 -9.626 -6.621 6.033 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.921 -8.214 5.243 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.649 -8.482 7.214 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -11.059 -9.513 7.362 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -8.225 -8.830 4.688 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -9.906 -12.657 3.989 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -8.080 -11.030 3.295 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.060 -6.159 7.716 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.925 -5.592 8.747 1.00 0.82 C ATOM 1775 C GLN B 17 -14.316 -5.280 8.212 1.00 0.93 C ATOM 1776 O GLN B 17 -15.312 -5.717 8.789 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.318 -4.325 9.351 1.00 0.85 C ATOM 1778 CG GLN B 17 -11.185 -4.588 10.328 1.00 1.27 C ATOM 1779 CD GLN B 17 -10.660 -3.315 10.966 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -11.396 -2.341 11.147 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -9.384 -3.315 11.315 1.00 2.77 N ATOM 0 H GLN B 17 -11.244 -5.590 7.491 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.014 -6.350 9.525 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.949 -3.691 8.545 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -13.102 -3.767 9.862 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -11.532 -5.265 11.108 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -10.371 -5.092 9.808 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -8.810 -4.141 11.148 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -8.975 -2.489 11.751 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.401 -4.530 7.116 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.709 -4.117 6.626 1.00 1.08 C ATOM 1792 C TYR B 18 -16.445 -5.285 5.968 1.00 1.34 C ATOM 1793 O TYR B 18 -17.653 -5.442 6.151 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.606 -2.909 5.678 1.00 1.22 C ATOM 1795 CG TYR B 18 -14.823 -3.142 4.402 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -15.418 -3.736 3.301 1.00 3.25 C ATOM 1797 CD2 TYR B 18 -13.498 -2.746 4.293 1.00 3.14 C ATOM 1798 CE1 TYR B 18 -14.720 -3.933 2.130 1.00 4.48 C ATOM 1799 CE2 TYR B 18 -12.791 -2.940 3.121 1.00 4.38 C ATOM 1800 CZ TYR B 18 -13.407 -3.534 2.043 1.00 4.93 C ATOM 1801 OH TYR B 18 -12.711 -3.724 0.874 1.00 6.25 O ATOM 0 H TYR B 18 -13.606 -4.205 6.566 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.296 -3.799 7.487 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -16.614 -2.592 5.411 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.145 -2.083 6.220 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -16.449 -4.051 3.362 1.00 3.25 H new ATOM 0 HD2 TYR B 18 -13.011 -2.279 5.137 1.00 3.14 H new ATOM 0 HE1 TYR B 18 -15.202 -4.399 1.283 1.00 4.48 H new ATOM 0 HE2 TYR B 18 -11.760 -2.627 3.052 1.00 4.38 H new ATOM 0 HH TYR B 18 -11.886 -4.218 1.061 1.00 6.25 H new ATOM 1811 N SER B 19 -15.705 -6.116 5.241 1.00 1.32 N ATOM 1812 CA SER B 19 -16.278 -7.253 4.525 1.00 1.78 C ATOM 1813 C SER B 19 -15.184 -8.257 4.173 1.00 1.86 C ATOM 1814 O SER B 19 -14.112 -8.244 4.773 1.00 2.32 O ATOM 1815 CB SER B 19 -16.995 -6.779 3.251 1.00 2.38 C ATOM 1816 OG SER B 19 -18.195 -6.090 3.559 1.00 3.02 O ATOM 0 H SER B 19 -14.695 -6.022 5.131 1.00 1.32 H new ATOM 0 HA SER B 19 -17.008 -7.740 5.172 1.00 1.78 H new ATOM 0 HB2 SER B 19 -16.334 -6.125 2.682 1.00 2.38 H new ATOM 0 HB3 SER B 19 -17.219 -7.637 2.617 1.00 2.38 H new ATOM 0 HG SER B 19 -18.368 -5.412 2.873 1.00 3.02 H new ATOM 1822 N VAL B 20 -15.471 -9.130 3.208 1.00 2.11 N ATOM 1823 CA VAL B 20 -14.509 -10.115 2.718 1.00 2.49 C ATOM 1824 C VAL B 20 -14.336 -11.251 3.717 1.00 2.64 C ATOM 1825 O VAL B 20 -13.395 -11.270 4.518 1.00 3.25 O ATOM 1826 CB VAL B 20 -13.128 -9.497 2.390 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -12.197 -10.541 1.789 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -13.278 -8.318 1.444 1.00 4.12 C ATOM 0 H VAL B 20 -16.378 -9.174 2.744 1.00 2.11 H new ATOM 0 HA VAL B 20 -14.923 -10.505 1.788 1.00 2.49 H new ATOM 0 HB VAL B 20 -12.689 -9.140 3.322 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -11.233 -10.084 1.567 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -12.057 -11.356 2.499 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -12.634 -10.932 0.870 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -12.296 -7.899 1.227 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -13.743 -8.652 0.517 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -13.903 -7.556 1.909 1.00 4.12 H new ATOM 1838 N ARG B 21 -15.268 -12.181 3.680 1.00 2.81 N ATOM 1839 CA ARG B 21 -15.172 -13.390 4.471 1.00 3.56 C ATOM 1840 C ARG B 21 -15.223 -14.589 3.540 1.00 3.97 C ATOM 1841 O ARG B 21 -16.183 -14.751 2.786 1.00 4.56 O ATOM 1842 CB ARG B 21 -16.297 -13.446 5.509 1.00 4.19 C ATOM 1843 CG ARG B 21 -16.230 -14.665 6.415 1.00 4.83 C ATOM 1844 CD ARG B 21 -17.109 -14.496 7.643 1.00 5.37 C ATOM 1845 NE ARG B 21 -18.509 -14.251 7.299 1.00 5.88 N ATOM 1846 CZ ARG B 21 -19.324 -13.465 8.005 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -18.876 -12.820 9.078 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -20.589 -13.317 7.632 1.00 7.28 N ATOM 0 H ARG B 21 -16.108 -12.121 3.105 1.00 2.81 H new ATOM 0 HA ARG B 21 -14.228 -13.400 5.016 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -16.259 -12.546 6.122 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -17.257 -13.440 4.993 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -16.544 -15.549 5.860 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -15.199 -14.833 6.725 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -17.041 -15.392 8.261 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -16.735 -13.666 8.243 1.00 5.37 H new ATOM 0 HE ARG B 21 -18.885 -14.709 6.469 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -17.903 -12.924 9.367 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -19.505 -12.221 9.613 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -20.938 -13.804 6.806 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -21.213 -12.716 8.171 1.00 7.28 H new ATOM 1862 N LYS B 22 -14.171 -15.402 3.578 1.00 4.14 N ATOM 1863 CA LYS B 22 -14.007 -16.507 2.643 1.00 4.91 C ATOM 1864 C LYS B 22 -15.216 -17.439 2.654 1.00 5.05 C ATOM 1865 O LYS B 22 -15.518 -18.084 3.664 1.00 5.59 O ATOM 1866 CB LYS B 22 -12.733 -17.289 2.966 1.00 5.69 C ATOM 1867 CG LYS B 22 -12.415 -18.376 1.953 1.00 6.45 C ATOM 1868 CD LYS B 22 -11.143 -19.123 2.313 1.00 7.33 C ATOM 1869 CE LYS B 22 -10.829 -20.210 1.298 1.00 8.20 C ATOM 1870 NZ LYS B 22 -10.583 -19.657 -0.062 1.00 8.71 N ATOM 0 H LYS B 22 -13.413 -15.313 4.255 1.00 4.14 H new ATOM 0 HA LYS B 22 -13.924 -16.084 1.642 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -11.894 -16.595 3.018 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -12.834 -17.741 3.953 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -13.247 -19.078 1.899 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -12.309 -17.932 0.963 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -10.310 -18.421 2.366 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -11.249 -19.567 3.303 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -9.952 -20.768 1.625 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -11.658 -20.916 1.256 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -10.178 -20.397 -0.670 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -11.481 -19.327 -0.470 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -9.918 -18.860 0.002 1.00 8.71 H new ATOM 1884 N GLY B 23 -15.905 -17.487 1.525 1.00 4.89 N ATOM 1885 CA GLY B 23 -17.061 -18.340 1.384 1.00 5.27 C ATOM 1886 C GLY B 23 -17.437 -18.532 -0.068 1.00 5.26 C ATOM 1887 O GLY B 23 -16.934 -19.439 -0.733 1.00 5.68 O ATOM 0 H GLY B 23 -15.678 -16.941 0.694 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -16.856 -19.309 1.839 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -17.902 -17.906 1.924 1.00 5.27 H new ATOM 1891 N HIS B 24 -18.309 -17.670 -0.572 1.00 5.16 N ATOM 1892 CA HIS B 24 -18.739 -17.746 -1.962 1.00 5.45 C ATOM 1893 C HIS B 24 -18.572 -16.399 -2.650 1.00 5.00 C ATOM 1894 O HIS B 24 -19.257 -15.434 -2.310 1.00 5.43 O ATOM 1895 CB HIS B 24 -20.196 -18.208 -2.064 1.00 6.30 C ATOM 1896 CG HIS B 24 -20.412 -19.626 -1.632 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -20.184 -20.707 -2.456 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -20.836 -20.138 -0.454 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -20.457 -21.820 -1.805 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -20.853 -21.503 -0.588 1.00 8.17 N ATOM 0 H HIS B 24 -18.733 -16.910 -0.040 1.00 5.16 H new ATOM 0 HA HIS B 24 -18.109 -18.480 -2.464 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -20.819 -17.553 -1.454 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -20.531 -18.097 -3.095 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -21.110 -19.577 0.427 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -20.371 -22.821 -2.201 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -21.128 -22.166 0.137 1.00 8.17 H new ATOM 1909 N PHE B 25 -17.642 -16.348 -3.606 1.00 4.49 N ATOM 1910 CA PHE B 25 -17.368 -15.143 -4.397 1.00 4.32 C ATOM 1911 C PHE B 25 -16.699 -14.050 -3.565 1.00 3.72 C ATOM 1912 O PHE B 25 -16.671 -14.103 -2.333 1.00 3.96 O ATOM 1913 CB PHE B 25 -18.643 -14.606 -5.059 1.00 4.90 C ATOM 1914 CG PHE B 25 -19.189 -15.511 -6.125 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -18.594 -15.565 -7.375 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -20.293 -16.310 -5.877 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -19.089 -16.398 -8.357 1.00 7.10 C ATOM 1918 CE2 PHE B 25 -20.792 -17.145 -6.857 1.00 7.09 C ATOM 1919 CZ PHE B 25 -20.190 -17.189 -8.098 1.00 7.50 C ATOM 0 H PHE B 25 -17.055 -17.144 -3.855 1.00 4.49 H new ATOM 0 HA PHE B 25 -16.670 -15.437 -5.181 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -19.405 -14.457 -4.294 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -18.433 -13.629 -5.495 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -17.733 -14.948 -7.583 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -20.768 -16.280 -4.908 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -18.616 -16.431 -9.327 1.00 7.10 H new ATOM 0 HE2 PHE B 25 -21.653 -17.764 -6.652 1.00 7.09 H new ATOM 0 HZ PHE B 25 -20.580 -17.841 -8.865 1.00 7.50 H new ATOM 1929 N ASP B 26 -16.143 -13.066 -4.259 1.00 3.50 N ATOM 1930 CA ASP B 26 -15.420 -11.973 -3.622 1.00 3.49 C ATOM 1931 C ASP B 26 -15.640 -10.677 -4.400 1.00 3.06 C ATOM 1932 O ASP B 26 -16.623 -10.567 -5.130 1.00 3.62 O ATOM 1933 CB ASP B 26 -13.921 -12.305 -3.530 1.00 4.40 C ATOM 1934 CG ASP B 26 -13.261 -12.471 -4.886 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -13.372 -13.566 -5.477 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -12.617 -11.516 -5.361 1.00 5.62 O ATOM 0 H ASP B 26 -16.180 -13.003 -5.276 1.00 3.50 H new ATOM 0 HA ASP B 26 -15.802 -11.839 -2.610 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -13.413 -11.512 -2.981 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -13.793 -13.223 -2.956 1.00 4.40 H new ATOM 1941 N THR B 27 -14.722 -9.721 -4.234 1.00 2.56 N ATOM 1942 CA THR B 27 -14.807 -8.385 -4.840 1.00 2.53 C ATOM 1943 C THR B 27 -15.734 -7.478 -4.025 1.00 1.72 C ATOM 1944 O THR B 27 -16.719 -7.935 -3.437 1.00 2.30 O ATOM 1945 CB THR B 27 -15.232 -8.419 -6.338 1.00 3.34 C ATOM 1946 OG1 THR B 27 -14.366 -7.576 -7.109 1.00 3.84 O ATOM 1947 CG2 THR B 27 -16.671 -7.955 -6.544 1.00 3.95 C ATOM 0 H THR B 27 -13.885 -9.853 -3.666 1.00 2.56 H new ATOM 0 HA THR B 27 -13.800 -7.969 -4.819 1.00 2.53 H new ATOM 0 HB THR B 27 -15.157 -9.456 -6.666 1.00 3.34 H new ATOM 0 HG1 THR B 27 -13.559 -8.074 -7.355 1.00 3.84 H new ATOM 0 HG21 THR B 27 -16.919 -7.997 -7.605 1.00 3.95 H new ATOM 0 HG22 THR B 27 -17.346 -8.605 -5.988 1.00 3.95 H new ATOM 0 HG23 THR B 27 -16.778 -6.931 -6.187 1.00 3.95 H new ATOM 1955 N LEU B 28 -15.388 -6.199 -3.966 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.115 -5.235 -3.151 1.00 0.90 C ATOM 1957 C LEU B 28 -16.600 -4.088 -4.020 1.00 0.71 C ATOM 1958 O LEU B 28 -16.005 -3.792 -5.047 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.217 -4.674 -2.036 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.689 -5.684 -1.006 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -15.820 -6.542 -0.458 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -13.585 -6.549 -1.599 1.00 2.37 C ATOM 0 H LEU B 28 -14.600 -5.802 -4.478 1.00 1.15 H new ATOM 0 HA LEU B 28 -16.965 -5.745 -2.698 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -14.362 -4.183 -2.501 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -15.775 -3.904 -1.503 1.00 1.66 H new ATOM 0 HG LEU B 28 -14.260 -5.122 -0.177 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -15.421 -7.249 0.269 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -16.560 -5.904 0.025 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -16.291 -7.089 -1.275 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -13.231 -7.254 -0.847 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -13.974 -7.098 -2.456 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -12.758 -5.915 -1.919 1.00 2.37 H new ATOM 1974 N SER B 29 -17.676 -3.443 -3.616 1.00 0.61 N ATOM 1975 CA SER B 29 -18.178 -2.307 -4.365 1.00 0.48 C ATOM 1976 C SER B 29 -17.801 -0.999 -3.673 1.00 0.44 C ATOM 1977 O SER B 29 -17.156 -1.020 -2.619 1.00 0.53 O ATOM 1978 CB SER B 29 -19.687 -2.411 -4.548 1.00 0.55 C ATOM 1979 OG SER B 29 -20.056 -3.696 -5.025 1.00 1.35 O ATOM 0 H SER B 29 -18.215 -3.682 -2.783 1.00 0.61 H new ATOM 0 HA SER B 29 -17.716 -2.313 -5.352 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.186 -2.215 -3.599 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.025 -1.648 -5.250 1.00 0.55 H new ATOM 0 HG SER B 29 -21.029 -3.738 -5.133 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.206 0.130 -4.245 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.763 1.433 -3.754 1.00 0.36 C ATOM 1987 C LYS B 30 -18.195 1.669 -2.308 1.00 0.36 C ATOM 1988 O LYS B 30 -17.462 2.273 -1.535 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.301 2.555 -4.638 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.558 3.869 -4.461 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.207 5.016 -5.228 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.256 4.767 -6.731 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.447 3.972 -7.144 1.00 1.32 N ATOM 0 H LYS B 30 -18.837 0.171 -5.045 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.674 1.435 -3.791 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.238 2.248 -5.682 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.357 2.710 -4.415 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.520 4.121 -3.401 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.528 3.748 -4.797 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.220 5.169 -4.856 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.655 5.935 -5.034 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.264 5.724 -7.253 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -17.351 4.244 -7.038 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.140 3.153 -7.706 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.954 3.641 -6.298 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -20.080 4.567 -7.716 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.378 1.178 -1.952 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.904 1.374 -0.609 1.00 0.40 C ATOM 2009 C GLY B 31 -18.981 0.849 0.471 1.00 0.38 C ATOM 2010 O GLY B 31 -18.790 1.491 1.506 1.00 0.39 O ATOM 0 H GLY B 31 -19.987 0.644 -2.573 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.078 2.437 -0.445 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.870 0.876 -0.527 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.398 -0.311 0.219 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.525 -0.959 1.184 1.00 0.50 C ATOM 2016 C GLU B 32 -16.238 -0.168 1.348 1.00 0.42 C ATOM 2017 O GLU B 32 -15.735 0.016 2.459 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.201 -2.371 0.715 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.427 -3.182 0.326 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.452 -3.277 1.436 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.174 -3.934 2.457 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -20.553 -2.708 1.278 1.00 2.10 O ATOM 0 H GLU B 32 -18.515 -0.827 -0.653 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.036 -1.002 2.146 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.527 -2.315 -0.140 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.667 -2.894 1.508 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -18.891 -2.731 -0.551 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -18.115 -4.187 0.040 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.718 0.297 0.223 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.519 1.108 0.199 1.00 0.34 C ATOM 2031 C LEU B 33 -14.780 2.419 0.924 1.00 0.30 C ATOM 2032 O LEU B 33 -14.031 2.808 1.812 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.127 1.372 -1.252 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.784 2.070 -1.457 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.645 1.196 -0.967 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.582 2.428 -2.918 1.00 0.46 C ATOM 0 H LEU B 33 -16.119 0.120 -0.698 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.704 0.587 0.701 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.106 0.420 -1.783 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.906 1.978 -1.715 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.789 2.991 -0.873 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.698 1.712 -1.122 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.776 0.990 0.095 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.642 0.257 -1.521 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.619 2.924 -3.041 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.602 1.520 -3.521 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.379 3.097 -3.242 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.877 3.063 0.551 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.294 4.332 1.130 1.00 0.31 C ATOM 2050 C LYS B 34 -16.403 4.237 2.650 1.00 0.35 C ATOM 2051 O LYS B 34 -15.998 5.153 3.369 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.632 4.749 0.514 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.308 5.920 1.207 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.601 6.300 0.507 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.340 7.398 1.253 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.730 6.973 2.622 1.00 1.87 N ATOM 0 H LYS B 34 -16.509 2.715 -0.170 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.541 5.088 0.907 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.471 5.007 -0.533 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.308 3.894 0.531 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.516 5.661 2.245 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.634 6.776 1.221 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.382 6.633 -0.508 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.241 5.422 0.423 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -19.708 8.284 1.314 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -21.231 7.681 0.693 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.438 7.633 3.002 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.133 6.015 2.586 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -19.892 6.973 3.237 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.949 3.126 3.128 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.024 2.852 4.552 1.00 0.43 C ATOM 2072 C GLN B 35 -15.639 2.933 5.178 1.00 0.43 C ATOM 2073 O GLN B 35 -15.387 3.798 6.015 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.640 1.471 4.770 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.656 1.033 6.221 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.200 -0.373 6.405 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -17.816 -1.086 7.333 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.100 -0.780 5.524 1.00 2.06 N ATOM 0 H GLN B 35 -17.350 2.395 2.541 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.654 3.599 5.034 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.661 1.474 4.389 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.084 0.738 4.185 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.643 1.081 6.622 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.261 1.731 6.800 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.392 -0.159 4.769 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -19.502 -1.715 5.600 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.740 2.064 4.729 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.376 2.017 5.237 1.00 0.39 C ATOM 2089 C LEU B 36 -12.715 3.384 5.143 1.00 0.38 C ATOM 2090 O LEU B 36 -12.095 3.851 6.087 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.581 0.976 4.442 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.105 0.813 4.819 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.642 -0.585 4.473 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.240 1.830 4.088 1.00 0.40 C ATOM 0 H LEU B 36 -14.937 1.374 4.004 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.395 1.732 6.289 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.072 0.010 4.558 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.637 1.237 3.385 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.005 0.981 5.891 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.592 -0.698 4.742 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.238 -1.312 5.024 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.762 -0.754 3.403 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.197 1.693 4.373 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.343 1.689 3.012 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.559 2.838 4.354 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.866 4.017 4.001 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.226 5.294 3.729 1.00 0.35 C ATOM 2108 C LEU B 37 -12.659 6.376 4.707 1.00 0.41 C ATOM 2109 O LEU B 37 -11.824 7.045 5.313 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.551 5.722 2.308 1.00 0.34 C ATOM 2111 CG LEU B 37 -12.017 4.788 1.229 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.445 5.248 -0.153 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.509 4.685 1.326 1.00 0.32 C ATOM 0 H LEU B 37 -13.435 3.665 3.231 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.151 5.163 3.850 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.633 5.797 2.203 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -12.145 6.720 2.141 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.441 3.797 1.390 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -12.050 4.563 -0.903 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.533 5.261 -0.211 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -12.060 6.251 -0.338 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.139 4.015 0.550 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -10.068 5.673 1.193 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.233 4.293 2.305 1.00 0.32 H new ATOM 2125 N THR B 38 -13.960 6.530 4.867 1.00 0.45 N ATOM 2126 CA THR B 38 -14.505 7.595 5.686 1.00 0.53 C ATOM 2127 C THR B 38 -14.182 7.402 7.168 1.00 0.59 C ATOM 2128 O THR B 38 -14.121 8.372 7.922 1.00 0.67 O ATOM 2129 CB THR B 38 -16.031 7.707 5.498 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.645 6.418 5.656 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.368 8.265 4.126 1.00 1.03 C ATOM 0 H THR B 38 -14.662 5.927 4.438 1.00 0.45 H new ATOM 0 HA THR B 38 -14.033 8.520 5.355 1.00 0.53 H new ATOM 0 HB THR B 38 -16.416 8.388 6.257 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.692 5.969 4.786 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.450 8.335 4.017 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.928 9.256 4.018 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.968 7.605 3.356 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.993 6.157 7.588 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.734 5.876 8.994 1.00 0.67 C ATOM 2141 C LYS B 39 -12.241 5.722 9.307 1.00 0.65 C ATOM 2142 O LYS B 39 -11.781 6.150 10.365 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.509 4.641 9.450 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.136 3.367 8.718 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.286 2.358 8.665 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.672 1.822 10.041 1.00 0.87 C ATOM 2147 NZ LYS B 39 -16.480 2.786 10.837 1.00 1.62 N ATOM 0 H LYS B 39 -14.014 5.336 6.984 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.084 6.743 9.554 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.343 4.495 10.517 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.575 4.825 9.316 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -13.827 3.614 7.702 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.278 2.908 9.209 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.156 2.830 8.208 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.002 1.524 8.023 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.236 0.898 9.919 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -14.767 1.572 10.594 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -17.186 2.267 11.397 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -15.855 3.319 11.475 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -16.964 3.446 10.195 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.484 5.127 8.392 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.089 4.789 8.669 1.00 0.58 C ATOM 2163 C GLU B 40 -9.154 5.858 8.144 1.00 0.56 C ATOM 2164 O GLU B 40 -8.263 6.324 8.849 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.726 3.440 8.038 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.259 2.242 8.799 1.00 0.88 C ATOM 2167 CD GLU B 40 -9.611 2.075 10.163 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -8.566 1.392 10.260 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -10.146 2.615 11.151 1.00 1.63 O ATOM 0 H GLU B 40 -11.807 4.870 7.459 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.975 4.724 9.751 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.111 3.411 7.019 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.641 3.362 7.971 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.337 2.347 8.924 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.093 1.340 8.210 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.383 6.265 6.911 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.484 7.189 6.240 1.00 0.49 C ATOM 2178 C LEU B 41 -9.053 8.597 6.292 1.00 0.53 C ATOM 2179 O LEU B 41 -8.679 9.465 5.497 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.263 6.752 4.787 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.967 5.258 4.588 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.536 4.985 3.159 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.910 4.772 5.571 1.00 1.42 C ATOM 0 H LEU B 41 -10.184 5.971 6.352 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.522 7.182 6.752 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.150 7.010 4.209 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.435 7.328 4.374 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.885 4.704 4.783 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.331 3.921 3.038 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.332 5.281 2.476 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.635 5.556 2.935 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.721 3.711 5.407 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -5.988 5.333 5.420 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.264 4.924 6.591 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.945 8.809 7.258 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.678 10.066 7.411 1.00 0.64 C ATOM 2197 C ALA B 42 -9.759 11.283 7.471 1.00 0.71 C ATOM 2198 O ALA B 42 -10.131 12.371 7.032 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.549 10.013 8.654 1.00 0.71 C ATOM 0 H ALA B 42 -10.182 8.109 7.961 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.302 10.180 6.524 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.091 10.953 8.759 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.261 9.192 8.565 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.922 9.856 9.531 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.562 11.099 8.002 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.645 12.213 8.189 1.00 0.83 C ATOM 2207 C ASN B 43 -6.361 11.994 7.388 1.00 0.83 C ATOM 2208 O ASN B 43 -5.319 12.581 7.678 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.338 12.377 9.684 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.694 13.711 10.025 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -5.471 13.831 10.086 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -7.515 14.722 10.251 1.00 2.16 N ATOM 0 H ASN B 43 -8.203 10.195 8.310 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.112 13.127 7.822 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.263 12.273 10.251 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.677 11.571 10.002 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -7.140 15.641 10.485 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -8.524 14.583 10.191 1.00 2.16 H new ATOM 2219 N THR B 44 -6.436 11.153 6.367 1.00 0.65 N ATOM 2220 CA THR B 44 -5.269 10.863 5.551 1.00 0.61 C ATOM 2221 C THR B 44 -5.445 11.435 4.157 1.00 0.59 C ATOM 2222 O THR B 44 -4.684 12.300 3.727 1.00 0.66 O ATOM 2223 CB THR B 44 -5.016 9.350 5.446 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.035 8.766 6.755 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.673 9.078 4.783 1.00 0.52 C ATOM 0 H THR B 44 -7.286 10.664 6.086 1.00 0.65 H new ATOM 0 HA THR B 44 -4.410 11.327 6.036 1.00 0.61 H new ATOM 0 HB THR B 44 -5.803 8.906 4.836 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.875 7.802 6.685 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.511 8.002 4.717 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.668 9.508 3.781 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.877 9.529 5.375 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.470 10.962 3.474 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.757 11.394 2.119 1.00 0.51 C ATOM 2235 C ILE B 45 -7.595 12.669 2.142 1.00 0.59 C ATOM 2236 O ILE B 45 -8.493 12.805 2.978 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.509 10.287 1.357 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.679 8.998 1.326 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.844 10.741 -0.058 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.363 7.849 0.615 1.00 0.35 C ATOM 0 H ILE B 45 -7.125 10.271 3.840 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.815 11.597 1.609 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.443 10.084 1.881 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.727 9.201 0.836 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.453 8.697 2.349 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.375 9.945 -0.579 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.474 11.630 -0.015 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.923 10.974 -0.593 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.715 6.972 0.634 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.302 7.617 1.118 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.564 8.129 -0.419 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.276 13.611 1.247 1.00 0.67 N ATOM 2253 CA LYS B 46 -8.013 14.866 1.152 1.00 0.74 C ATOM 2254 C LYS B 46 -9.492 14.605 1.006 1.00 0.68 C ATOM 2255 O LYS B 46 -9.899 13.833 0.142 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.518 15.722 -0.032 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.791 15.137 -1.418 1.00 0.79 C ATOM 2258 CD LYS B 46 -9.128 15.607 -2.001 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.077 17.063 -2.419 1.00 0.88 C ATOM 2260 NZ LYS B 46 -10.326 17.491 -3.101 1.00 1.61 N ATOM 0 H LYS B 46 -6.510 13.523 0.579 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.835 15.418 2.075 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.987 16.704 0.029 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.444 15.875 0.075 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.984 15.420 -2.094 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.788 14.049 -1.356 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.386 14.990 -2.862 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -9.916 15.468 -1.261 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -8.912 17.687 -1.540 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.228 17.219 -3.085 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.249 18.493 -3.370 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -10.471 16.914 -3.954 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -11.133 17.367 -2.457 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.278 15.224 1.878 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.731 15.171 1.782 1.00 0.67 C ATOM 2276 C ASN B 47 -12.223 13.765 1.484 1.00 0.59 C ATOM 2277 O ASN B 47 -13.116 13.576 0.667 1.00 0.57 O ATOM 2278 CB ASN B 47 -12.216 16.124 0.695 1.00 0.69 C ATOM 2279 CG ASN B 47 -12.269 17.570 1.153 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -13.293 18.042 1.644 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -11.163 18.286 1.006 1.00 1.24 N ATOM 0 H ASN B 47 -9.930 15.772 2.665 1.00 0.71 H new ATOM 0 HA ASN B 47 -12.138 15.473 2.747 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.556 16.047 -0.169 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.209 15.816 0.366 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -11.143 19.261 1.304 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -10.332 17.862 0.595 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.634 12.780 2.151 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.982 11.378 1.927 1.00 0.48 C ATOM 2290 C ILE B 48 -13.441 11.117 2.305 1.00 0.48 C ATOM 2291 O ILE B 48 -13.987 10.036 2.096 1.00 0.44 O ATOM 2292 CB ILE B 48 -11.058 10.452 2.743 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.247 8.989 2.342 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.321 10.625 4.225 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -11.020 8.729 0.872 1.00 0.38 C ATOM 0 H ILE B 48 -10.910 12.925 2.855 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.849 11.164 0.867 1.00 0.48 H new ATOM 0 HB ILE B 48 -10.026 10.731 2.528 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.561 8.371 2.921 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.258 8.677 2.605 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.663 9.966 4.791 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.131 11.660 4.510 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.359 10.374 4.442 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.172 7.670 0.662 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.723 9.320 0.285 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -10.001 9.009 0.606 1.00 0.38 H new ATOM 2307 N LYS B 49 -14.060 12.137 2.860 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.446 12.076 3.255 1.00 0.57 C ATOM 2309 C LYS B 49 -16.334 12.428 2.071 1.00 0.55 C ATOM 2310 O LYS B 49 -17.552 12.244 2.108 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.681 13.044 4.404 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.667 12.885 5.531 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.654 11.472 6.107 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.480 11.358 7.380 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.916 11.684 7.170 1.00 1.11 N ATOM 0 H LYS B 49 -13.612 13.034 3.049 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.693 11.067 3.584 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.639 14.066 4.026 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.685 12.892 4.801 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.673 13.132 5.159 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.896 13.596 6.325 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -15.040 10.775 5.363 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.626 11.177 6.316 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.396 10.344 7.772 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.068 12.027 8.136 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.450 11.476 8.038 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -17.013 12.693 6.938 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -17.291 11.111 6.387 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.708 12.941 1.020 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.418 13.330 -0.187 1.00 0.56 C ATOM 2331 C ASP B 50 -16.593 12.155 -1.118 1.00 0.50 C ATOM 2332 O ASP B 50 -15.646 11.437 -1.428 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.684 14.452 -0.920 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.163 15.828 -0.510 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.177 16.297 -1.072 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -15.534 16.450 0.364 1.00 1.59 O ATOM 0 H ASP B 50 -14.701 13.098 0.982 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.400 13.689 0.119 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.615 14.370 -0.724 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.821 14.329 -1.994 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.819 11.981 -1.571 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.160 10.927 -2.503 1.00 0.48 C ATOM 2343 C LYS B 51 -17.480 11.167 -3.838 1.00 0.49 C ATOM 2344 O LYS B 51 -17.212 10.234 -4.578 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.667 10.889 -2.692 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.153 9.842 -3.681 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.892 8.430 -3.187 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.376 7.392 -4.187 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.810 7.575 -4.537 1.00 0.92 N ATOM 0 H LYS B 51 -18.608 12.569 -1.302 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.818 9.972 -2.103 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.137 10.704 -1.726 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -20.003 11.870 -3.027 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.221 9.974 -3.854 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.655 9.989 -4.639 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.825 8.297 -3.010 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.395 8.279 -2.232 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.772 7.453 -5.092 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.229 6.395 -3.773 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.164 6.719 -5.009 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.360 7.745 -3.671 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.910 8.389 -5.176 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.203 12.428 -4.132 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.492 12.786 -5.347 1.00 0.60 C ATOM 2365 C ALA B 52 -15.039 12.393 -5.213 1.00 0.57 C ATOM 2366 O ALA B 52 -14.396 11.977 -6.174 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.597 14.273 -5.606 1.00 0.67 C ATOM 0 H ALA B 52 -17.461 13.221 -3.544 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.941 12.255 -6.187 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.058 14.522 -6.520 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.645 14.550 -5.716 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.163 14.820 -4.769 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.541 12.511 -3.995 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.162 12.167 -3.695 1.00 0.53 C ATOM 2375 C VAL B 53 -13.009 10.658 -3.712 1.00 0.47 C ATOM 2376 O VAL B 53 -12.065 10.110 -4.279 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.734 12.726 -2.325 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.423 12.111 -1.855 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.606 14.235 -2.395 1.00 0.60 C ATOM 0 H VAL B 53 -15.075 12.845 -3.193 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.518 12.613 -4.453 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.505 12.462 -1.601 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.152 12.529 -0.885 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.539 11.031 -1.765 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.638 12.332 -2.578 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.303 14.620 -1.421 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.857 14.502 -3.140 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.566 14.669 -2.674 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.975 10.001 -3.101 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.036 8.552 -3.085 1.00 0.36 C ATOM 2391 C ILE B 54 -14.257 8.004 -4.481 1.00 0.38 C ATOM 2392 O ILE B 54 -13.732 6.951 -4.836 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.161 8.091 -2.166 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.801 8.496 -0.744 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.383 6.583 -2.277 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.800 8.049 0.285 1.00 0.38 C ATOM 0 H ILE B 54 -14.739 10.456 -2.602 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.084 8.173 -2.713 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.099 8.564 -2.459 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.825 8.080 -0.494 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.707 9.581 -0.698 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.191 6.284 -1.610 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.647 6.329 -3.304 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.469 6.059 -1.997 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.475 8.374 1.273 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.773 8.486 0.061 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.878 6.962 0.268 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.033 8.731 -5.264 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.295 8.363 -6.642 1.00 0.47 C ATOM 2410 C ASP B 55 -13.986 8.351 -7.388 1.00 0.48 C ATOM 2411 O ASP B 55 -13.619 7.365 -8.000 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.238 9.367 -7.289 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.761 8.901 -8.631 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.730 8.115 -8.661 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -16.203 9.329 -9.666 1.00 1.53 O ATOM 0 H ASP B 55 -15.497 9.589 -4.964 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.762 7.379 -6.675 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.079 9.551 -6.621 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.718 10.317 -7.417 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.278 9.462 -7.277 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.952 9.614 -7.848 1.00 0.53 C ATOM 2422 C GLU B 56 -11.064 8.408 -7.539 1.00 0.47 C ATOM 2423 O GLU B 56 -10.429 7.845 -8.435 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.326 10.888 -7.294 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.881 12.155 -7.923 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.714 12.173 -9.424 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.599 12.472 -9.898 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.695 11.882 -10.143 1.00 1.66 O ATOM 0 H GLU B 56 -13.611 10.290 -6.784 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.040 9.679 -8.932 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.488 10.925 -6.217 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.248 10.854 -7.454 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.939 12.246 -7.677 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.378 13.021 -7.494 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.048 7.999 -6.275 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.228 6.883 -5.844 1.00 0.39 C ATOM 2437 C ILE B 57 -10.739 5.570 -6.423 1.00 0.36 C ATOM 2438 O ILE B 57 -10.031 4.889 -7.156 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.230 6.779 -4.319 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.735 8.086 -3.704 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.371 5.612 -3.871 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.761 8.090 -2.197 1.00 1.00 C ATOM 0 H ILE B 57 -11.598 8.429 -5.531 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.215 7.063 -6.204 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.250 6.602 -3.977 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.716 8.274 -4.042 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.350 8.907 -4.072 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.381 5.549 -2.783 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.766 4.687 -4.291 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.348 5.760 -4.216 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.396 9.049 -1.829 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.782 7.933 -1.850 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -9.123 7.291 -1.820 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.981 5.243 -6.095 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.594 3.984 -6.495 1.00 0.36 C ATOM 2456 C PHE B 58 -12.532 3.799 -8.005 1.00 0.41 C ATOM 2457 O PHE B 58 -12.184 2.730 -8.492 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.047 3.949 -6.018 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.795 2.717 -6.424 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.753 1.575 -5.644 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.543 2.703 -7.586 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.446 0.443 -6.017 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.235 1.576 -7.963 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.187 0.443 -7.178 1.00 0.93 C ATOM 0 H PHE B 58 -12.593 5.844 -5.543 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.040 3.166 -6.035 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.063 4.029 -4.931 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.568 4.823 -6.410 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.172 1.570 -4.734 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.585 3.587 -8.205 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.408 -0.442 -5.400 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -16.816 1.578 -8.873 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.730 -0.443 -7.473 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.853 4.858 -8.729 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.830 4.844 -10.184 1.00 0.52 C ATOM 2476 C GLN B 59 -11.403 4.669 -10.692 1.00 0.52 C ATOM 2477 O GLN B 59 -11.176 4.132 -11.776 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.424 6.147 -10.723 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.910 6.317 -10.425 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.781 5.383 -11.241 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.214 5.720 -12.344 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.043 4.202 -10.708 1.00 1.63 N ATOM 0 H GLN B 59 -13.137 5.751 -8.326 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.428 4.004 -10.538 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.879 6.988 -10.295 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.273 6.185 -11.802 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.086 6.138 -9.364 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.201 7.348 -10.627 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -15.665 3.961 -9.792 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.623 3.532 -11.213 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.446 5.130 -9.892 1.00 0.48 N ATOM 2492 CA GLY B 60 -9.048 4.980 -10.232 1.00 0.49 C ATOM 2493 C GLY B 60 -8.558 3.556 -10.053 1.00 0.47 C ATOM 2494 O GLY B 60 -7.588 3.145 -10.691 1.00 0.53 O ATOM 0 H GLY B 60 -10.619 5.608 -9.008 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.894 5.287 -11.266 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.452 5.647 -9.609 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.215 2.798 -9.179 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.840 1.407 -8.959 1.00 0.44 C ATOM 2500 C LEU B 61 -9.682 0.510 -9.851 1.00 0.51 C ATOM 2501 O LEU B 61 -9.188 -0.456 -10.422 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.020 0.991 -7.489 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.103 2.128 -6.470 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.533 1.586 -5.117 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.765 2.847 -6.352 1.00 0.35 C ATOM 0 H LEU B 61 -10.002 3.121 -8.617 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.784 1.300 -9.207 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.929 0.394 -7.411 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.188 0.343 -7.212 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.846 2.847 -6.815 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.589 2.404 -4.399 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.512 1.115 -5.208 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.807 0.850 -4.773 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.848 3.652 -5.622 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.000 2.141 -6.029 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.489 3.263 -7.321 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.957 0.856 -9.978 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.883 0.115 -10.830 1.00 0.59 C ATOM 2519 C ASP B 62 -11.638 0.468 -12.296 1.00 0.70 C ATOM 2520 O ASP B 62 -12.467 1.092 -12.958 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.337 0.420 -10.432 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.359 -0.351 -11.256 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.202 -1.576 -11.434 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -15.340 0.269 -11.719 1.00 1.11 O ATOM 0 H ASP B 62 -11.377 1.652 -9.498 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.711 -0.953 -10.696 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.476 0.182 -9.377 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.521 1.488 -10.544 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.474 0.072 -12.794 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.087 0.353 -14.170 1.00 0.94 C ATOM 2531 C ALA B 63 -10.884 -0.506 -15.137 1.00 1.12 C ATOM 2532 O ALA B 63 -11.061 -0.157 -16.305 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.596 0.120 -14.356 1.00 1.00 C ATOM 0 H ALA B 63 -9.777 -0.448 -12.261 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.305 1.399 -14.383 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.320 0.334 -15.389 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.039 0.777 -13.688 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.358 -0.918 -14.124 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.377 -1.627 -14.634 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.180 -2.539 -15.435 1.00 1.28 C ATOM 2541 C ASN B 64 -13.623 -2.049 -15.528 1.00 1.22 C ATOM 2542 O ASN B 64 -14.423 -2.572 -16.303 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.118 -3.957 -14.856 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.330 -3.983 -13.356 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -11.379 -3.864 -12.583 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -13.566 -4.159 -12.932 1.00 2.80 N ATOM 0 H ASN B 64 -11.234 -1.928 -13.670 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.769 -2.565 -16.444 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -12.876 -4.576 -15.337 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -11.150 -4.399 -15.090 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -13.761 -4.201 -11.932 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -14.327 -4.253 -13.604 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.925 -1.025 -14.724 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.202 -0.313 -14.770 1.00 1.06 C ATOM 2555 C GLN B 65 -16.384 -1.230 -14.478 1.00 1.04 C ATOM 2556 O GLN B 65 -17.424 -1.151 -15.133 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.388 0.380 -16.123 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.325 1.427 -16.425 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.287 2.546 -15.399 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -15.302 2.890 -14.795 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -13.117 3.129 -15.201 1.00 2.58 N ATOM 0 H GLN B 65 -13.283 -0.665 -14.018 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.174 0.443 -13.985 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.378 -0.373 -16.911 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.369 0.854 -16.147 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.348 0.944 -16.465 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -14.511 1.852 -17.411 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -12.297 2.816 -15.721 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -13.034 3.891 -14.529 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.235 -2.076 -13.472 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.306 -2.984 -13.080 1.00 0.95 C ATOM 2572 C ASP B 66 -18.032 -2.458 -11.861 1.00 0.81 C ATOM 2573 O ASP B 66 -19.010 -3.054 -11.407 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.764 -4.373 -12.763 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.572 -5.230 -13.994 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.541 -5.894 -14.415 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -15.450 -5.251 -14.536 1.00 2.14 O ATOM 0 H ASP B 66 -15.386 -2.155 -12.912 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.996 -3.051 -13.921 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.811 -4.275 -12.244 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.448 -4.876 -12.080 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.528 -1.348 -11.334 1.00 0.73 N ATOM 2583 CA GLU B 67 -18.024 -0.757 -10.100 1.00 0.63 C ATOM 2584 C GLU B 67 -17.726 -1.711 -8.950 1.00 0.58 C ATOM 2585 O GLU B 67 -18.449 -1.773 -7.953 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.524 -0.454 -10.187 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.958 0.722 -9.330 1.00 0.97 C ATOM 2588 CD GLU B 67 -19.601 2.059 -9.944 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -20.200 2.422 -10.981 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -18.744 2.767 -9.380 1.00 2.00 O ATOM 0 H GLU B 67 -16.757 -0.830 -11.756 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.520 0.194 -9.929 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.786 -0.252 -11.226 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -20.083 -1.339 -9.884 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -21.036 0.675 -9.175 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.491 0.642 -8.348 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.633 -2.451 -9.110 1.00 0.62 N ATOM 2598 CA GLN B 68 -16.218 -3.452 -8.146 1.00 0.66 C ATOM 2599 C GLN B 68 -14.701 -3.475 -8.041 1.00 0.66 C ATOM 2600 O GLN B 68 -14.008 -3.747 -9.021 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.719 -4.842 -8.555 1.00 0.86 C ATOM 2602 CG GLN B 68 -18.233 -4.971 -8.585 1.00 1.38 C ATOM 2603 CD GLN B 68 -18.695 -6.348 -9.016 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -18.023 -7.034 -9.788 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -19.849 -6.763 -8.516 1.00 2.07 N ATOM 0 H GLN B 68 -16.012 -2.369 -9.915 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.649 -3.192 -7.179 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -16.325 -5.083 -9.542 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -16.316 -5.580 -7.862 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.632 -4.752 -7.594 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -18.644 -4.225 -9.266 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -20.374 -6.163 -7.880 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -20.213 -7.682 -8.767 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.190 -3.182 -6.860 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.758 -3.232 -6.622 1.00 0.64 C ATOM 2616 C VAL B 69 -12.357 -4.563 -6.004 1.00 0.64 C ATOM 2617 O VAL B 69 -13.016 -5.074 -5.093 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.267 -2.076 -5.725 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -12.332 -0.760 -6.481 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -13.074 -1.996 -4.435 1.00 1.22 C ATOM 0 H VAL B 69 -14.745 -2.907 -6.050 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.280 -3.124 -7.596 1.00 0.64 H new ATOM 0 HB VAL B 69 -11.230 -2.274 -5.454 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.983 0.047 -5.837 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.699 -0.817 -7.366 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.361 -0.564 -6.783 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.704 -1.172 -3.825 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -14.124 -1.828 -4.673 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -12.972 -2.930 -3.883 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.287 -5.132 -6.526 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.768 -6.394 -6.027 1.00 0.73 C ATOM 2632 C ASP B 70 -9.650 -6.149 -5.028 1.00 0.64 C ATOM 2633 O ASP B 70 -9.389 -5.006 -4.652 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.242 -7.256 -7.174 1.00 0.84 C ATOM 2635 CG ASP B 70 -11.322 -7.654 -8.161 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -12.017 -8.665 -7.912 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -11.476 -6.971 -9.193 1.00 2.02 O ATOM 0 H ASP B 70 -10.756 -4.737 -7.302 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.585 -6.920 -5.534 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -9.459 -6.711 -7.701 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.783 -8.156 -6.764 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.971 -7.212 -4.629 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.903 -7.116 -3.641 1.00 0.67 C ATOM 2644 C PHE B 71 -6.754 -6.255 -4.164 1.00 0.56 C ATOM 2645 O PHE B 71 -6.167 -5.461 -3.428 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.371 -8.508 -3.288 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.339 -9.401 -2.552 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.607 -9.661 -3.055 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -7.967 -9.996 -1.358 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.480 -10.493 -2.379 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -8.837 -10.827 -0.678 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.095 -11.075 -1.190 1.00 1.77 C ATOM 0 H PHE B 71 -9.140 -8.157 -4.975 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.318 -6.650 -2.747 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.069 -9.008 -4.209 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.474 -8.393 -2.679 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.915 -9.208 -3.986 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -6.984 -9.808 -0.953 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.463 -10.687 -2.782 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -8.533 -11.282 0.253 1.00 1.76 H new ATOM 0 HZ PHE B 71 -10.776 -11.724 -0.660 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.438 -6.420 -5.439 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.338 -5.693 -6.055 1.00 0.57 C ATOM 2664 C GLN B 72 -5.741 -4.259 -6.379 1.00 0.50 C ATOM 2665 O GLN B 72 -4.922 -3.343 -6.332 1.00 0.47 O ATOM 2666 CB GLN B 72 -4.863 -6.416 -7.312 1.00 0.70 C ATOM 2667 CG GLN B 72 -3.822 -5.639 -8.090 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.189 -6.453 -9.198 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -3.044 -7.672 -9.083 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.816 -5.788 -10.278 1.00 1.66 N ATOM 0 H GLN B 72 -6.930 -7.053 -6.070 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.514 -5.655 -5.342 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.449 -7.385 -7.032 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -5.720 -6.610 -7.957 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.284 -4.749 -8.518 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.044 -5.297 -7.407 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.956 -4.779 -10.329 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.389 -6.284 -11.060 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.004 -4.064 -6.703 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.518 -2.724 -6.936 1.00 0.47 C ATOM 2681 C GLU B 73 -7.540 -1.968 -5.616 1.00 0.36 C ATOM 2682 O GLU B 73 -7.289 -0.767 -5.563 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.913 -2.782 -7.555 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.034 -3.788 -8.696 1.00 0.78 C ATOM 2685 CD GLU B 73 -7.927 -3.667 -9.731 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -6.872 -4.316 -9.560 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -8.107 -2.943 -10.724 1.00 1.99 O ATOM 0 H GLU B 73 -7.692 -4.810 -6.811 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.869 -2.202 -7.639 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.635 -3.037 -6.779 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.179 -1.792 -7.925 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.026 -4.797 -8.283 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -9.997 -3.653 -9.188 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.820 -2.697 -4.546 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.722 -2.165 -3.198 1.00 0.34 C ATOM 2696 C PHE B 74 -6.270 -1.819 -2.881 1.00 0.32 C ATOM 2697 O PHE B 74 -5.983 -0.905 -2.113 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.260 -3.189 -2.197 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.383 -2.667 -0.793 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.531 -2.011 -0.382 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.350 -2.838 0.118 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.649 -1.537 0.910 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.463 -2.363 1.409 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.613 -1.713 1.805 1.00 1.90 C ATOM 0 H PHE B 74 -8.120 -3.671 -4.589 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.320 -1.257 -3.124 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.239 -3.531 -2.533 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.603 -4.058 -2.194 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -10.343 -1.868 -1.079 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.448 -3.348 -0.187 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -10.551 -1.029 1.220 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.652 -2.500 2.108 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.703 -1.342 2.815 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.360 -2.550 -3.504 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.938 -2.270 -3.390 1.00 0.36 C ATOM 2716 C ILE B 75 -3.634 -0.932 -4.053 1.00 0.34 C ATOM 2717 O ILE B 75 -2.827 -0.143 -3.560 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.099 -3.405 -4.029 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.622 -4.384 -2.963 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.922 -2.857 -4.820 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.143 -5.690 -3.543 1.00 0.67 C ATOM 0 H ILE B 75 -5.584 -3.348 -4.099 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.668 -2.216 -2.335 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.744 -3.937 -4.728 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.814 -3.927 -2.392 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.436 -4.578 -2.264 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.358 -3.683 -5.253 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.289 -2.211 -5.618 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.274 -2.283 -4.158 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.816 -6.347 -2.738 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -2.957 -6.165 -4.091 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.310 -5.503 -4.220 1.00 0.67 H new ATOM 2733 N SER B 76 -4.316 -0.679 -5.164 1.00 0.34 N ATOM 2734 CA SER B 76 -4.206 0.592 -5.848 1.00 0.36 C ATOM 2735 C SER B 76 -4.696 1.713 -4.940 1.00 0.31 C ATOM 2736 O SER B 76 -4.129 2.795 -4.927 1.00 0.33 O ATOM 2737 CB SER B 76 -5.004 0.568 -7.152 1.00 0.45 C ATOM 2738 OG SER B 76 -4.495 -0.416 -8.042 1.00 0.74 O ATOM 0 H SER B 76 -4.951 -1.343 -5.607 1.00 0.34 H new ATOM 0 HA SER B 76 -3.159 0.772 -6.093 1.00 0.36 H new ATOM 0 HB2 SER B 76 -6.053 0.362 -6.937 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.963 1.549 -7.626 1.00 0.45 H new ATOM 0 HG SER B 76 -5.022 -0.414 -8.868 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.742 1.438 -4.166 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.234 2.396 -3.180 1.00 0.26 C ATOM 2746 C LEU B 77 -5.114 2.819 -2.249 1.00 0.23 C ATOM 2747 O LEU B 77 -4.926 4.005 -1.981 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.352 1.784 -2.338 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.578 2.479 -0.994 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -8.359 3.764 -1.178 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.262 1.550 -0.007 1.00 1.14 C ATOM 0 H LEU B 77 -6.264 0.563 -4.202 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.616 3.260 -3.724 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.280 1.813 -2.910 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.122 0.734 -2.157 1.00 0.30 H new ATOM 0 HG LEU B 77 -6.605 2.738 -0.578 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -8.508 4.241 -0.209 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.804 4.436 -1.832 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -9.328 3.540 -1.625 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.410 2.070 0.939 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -9.228 1.242 -0.407 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -7.640 0.670 0.156 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.374 1.837 -1.764 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.298 2.086 -0.825 1.00 0.25 C ATOM 2765 C VAL B 78 -2.215 2.909 -1.491 1.00 0.27 C ATOM 2766 O VAL B 78 -1.542 3.687 -0.844 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.685 0.780 -0.300 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.781 1.059 0.887 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.779 -0.215 0.061 1.00 0.31 C ATOM 0 H VAL B 78 -4.501 0.855 -2.008 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.720 2.629 0.020 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.077 0.337 -1.088 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.354 0.123 1.247 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.978 1.730 0.583 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.361 1.524 1.684 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.326 -1.135 0.431 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.418 0.212 0.834 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.377 -0.435 -0.823 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.060 2.732 -2.791 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.137 3.546 -3.560 1.00 0.36 C ATOM 2781 C ALA B 79 -1.544 5.014 -3.474 1.00 0.33 C ATOM 2782 O ALA B 79 -0.731 5.889 -3.175 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.118 3.080 -5.006 1.00 0.43 C ATOM 0 H ALA B 79 -2.562 2.031 -3.336 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.133 3.440 -3.148 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.423 3.695 -5.577 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.800 2.038 -5.048 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.118 3.171 -5.431 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.824 5.258 -3.717 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.411 6.591 -3.618 1.00 0.32 C ATOM 2791 C ILE B 80 -3.271 7.129 -2.195 1.00 0.28 C ATOM 2792 O ILE B 80 -2.964 8.300 -1.989 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.918 6.564 -4.015 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.115 6.489 -5.540 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.651 7.782 -3.467 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.418 5.334 -6.225 1.00 0.40 C ATOM 0 H ILE B 80 -3.489 4.535 -3.990 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.876 7.245 -4.307 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.339 5.661 -3.573 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.183 6.423 -5.749 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.760 7.420 -5.982 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.700 7.737 -3.759 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.577 7.792 -2.380 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.201 8.689 -3.870 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.619 5.371 -7.296 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.344 5.405 -6.055 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.788 4.393 -5.819 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.471 6.254 -1.225 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.485 6.638 0.177 1.00 0.23 C ATOM 2810 C ALA B 81 -2.074 6.860 0.733 1.00 0.23 C ATOM 2811 O ALA B 81 -1.860 7.717 1.590 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.240 5.593 0.970 1.00 0.24 C ATOM 0 H ALA B 81 -3.628 5.259 -1.386 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.996 7.597 0.269 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.254 5.875 2.023 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.263 5.523 0.599 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.748 4.627 0.860 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.110 6.095 0.244 1.00 0.22 N ATOM 2819 CA LEU B 82 0.287 6.318 0.593 1.00 0.23 C ATOM 2820 C LEU B 82 0.750 7.617 -0.037 1.00 0.24 C ATOM 2821 O LEU B 82 1.569 8.351 0.519 1.00 0.30 O ATOM 2822 CB LEU B 82 1.166 5.169 0.105 1.00 0.25 C ATOM 2823 CG LEU B 82 0.884 3.810 0.741 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.767 2.755 0.118 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.100 3.862 2.241 1.00 0.32 C ATOM 0 H LEU B 82 -1.268 5.315 -0.395 1.00 0.22 H new ATOM 0 HA LEU B 82 0.373 6.372 1.678 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.047 5.077 -0.975 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.208 5.428 0.290 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.159 3.552 0.558 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.559 1.789 0.578 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.567 2.698 -0.952 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.813 3.015 0.278 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.893 2.883 2.673 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.133 4.140 2.450 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.429 4.601 2.680 1.00 0.32 H new ATOM 2837 N LYS B 83 0.208 7.892 -1.213 1.00 0.26 N ATOM 2838 CA LYS B 83 0.444 9.150 -1.885 1.00 0.33 C ATOM 2839 C LYS B 83 -0.320 10.274 -1.202 1.00 0.31 C ATOM 2840 O LYS B 83 0.008 11.438 -1.362 1.00 0.44 O ATOM 2841 CB LYS B 83 0.075 9.048 -3.356 1.00 0.42 C ATOM 2842 CG LYS B 83 1.285 8.753 -4.199 1.00 0.66 C ATOM 2843 CD LYS B 83 1.189 9.331 -5.586 1.00 1.04 C ATOM 2844 CE LYS B 83 2.563 9.777 -6.026 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.692 9.854 -7.507 1.00 1.67 N ATOM 0 H LYS B 83 -0.402 7.252 -1.721 1.00 0.26 H new ATOM 0 HA LYS B 83 1.507 9.382 -1.822 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.668 8.263 -3.494 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.382 9.981 -3.685 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.171 9.152 -3.705 1.00 0.66 H new ATOM 0 HG3 LYS B 83 1.418 7.673 -4.269 1.00 0.66 H new ATOM 0 HD2 LYS B 83 0.795 8.587 -6.278 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.498 10.174 -5.596 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.779 10.754 -5.595 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.308 9.084 -5.635 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.452 10.519 -7.755 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.919 8.912 -7.885 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 1.795 10.185 -7.917 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.334 9.918 -0.436 1.00 0.31 N ATOM 2860 CA ALA B 84 -2.027 10.884 0.397 1.00 0.35 C ATOM 2861 C ALA B 84 -1.136 11.284 1.560 1.00 0.33 C ATOM 2862 O ALA B 84 -1.230 12.388 2.091 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.337 10.306 0.901 1.00 0.48 C ATOM 0 H ALA B 84 -1.697 8.967 -0.373 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.255 11.770 -0.196 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.844 11.043 1.524 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.972 10.049 0.053 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.137 9.410 1.489 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.269 10.364 1.954 1.00 0.30 N ATOM 2870 CA ALA B 85 0.690 10.621 3.013 1.00 0.38 C ATOM 2871 C ALA B 85 1.929 11.357 2.489 1.00 0.44 C ATOM 2872 O ALA B 85 2.265 12.429 2.987 1.00 0.57 O ATOM 2873 CB ALA B 85 1.077 9.319 3.690 1.00 0.42 C ATOM 0 H ALA B 85 -0.211 9.428 1.553 1.00 0.30 H new ATOM 0 HA ALA B 85 0.217 11.273 3.748 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.797 9.521 4.483 1.00 0.42 H new ATOM 0 HB2 ALA B 85 0.189 8.853 4.116 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.524 8.647 2.957 1.00 0.42 H new ATOM 2879 N HIS B 86 2.611 10.799 1.486 1.00 0.44 N ATOM 2880 CA HIS B 86 3.852 11.404 1.006 1.00 0.59 C ATOM 2881 C HIS B 86 3.597 12.494 -0.042 1.00 0.63 C ATOM 2882 O HIS B 86 4.171 13.575 0.029 1.00 0.72 O ATOM 2883 CB HIS B 86 4.830 10.333 0.473 1.00 0.69 C ATOM 2884 CG HIS B 86 4.547 9.772 -0.889 1.00 1.28 C ATOM 2885 ND1 HIS B 86 4.872 10.423 -2.058 1.00 2.06 N ATOM 2886 CD2 HIS B 86 4.017 8.585 -1.259 1.00 2.11 C ATOM 2887 CE1 HIS B 86 4.553 9.664 -3.083 1.00 2.66 C ATOM 2888 NE2 HIS B 86 4.034 8.539 -2.629 1.00 2.68 N ATOM 0 H HIS B 86 2.331 9.947 1.000 1.00 0.44 H new ATOM 0 HA HIS B 86 4.320 11.889 1.863 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.831 10.764 0.461 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.848 9.506 1.183 1.00 0.69 H new ATOM 0 HD1 HIS B 86 5.294 11.349 -2.119 1.00 2.06 H new ATOM 0 HD2 HIS B 86 3.648 7.815 -0.598 1.00 2.11 H new ATOM 0 HE1 HIS B 86 4.692 9.919 -4.123 1.00 2.66 H new ATOM 2897 N TYR B 87 2.712 12.211 -0.985 1.00 0.58 N ATOM 2898 CA TYR B 87 2.425 13.111 -2.101 1.00 0.65 C ATOM 2899 C TYR B 87 1.294 14.059 -1.720 1.00 0.62 C ATOM 2900 O TYR B 87 0.559 14.529 -2.581 1.00 0.66 O ATOM 2901 CB TYR B 87 2.080 12.324 -3.367 1.00 0.69 C ATOM 2902 CG TYR B 87 2.398 13.068 -4.647 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.715 13.278 -5.034 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.390 13.559 -5.465 1.00 1.43 C ATOM 2905 CE1 TYR B 87 4.020 13.957 -6.197 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.686 14.240 -6.631 1.00 1.54 C ATOM 2907 CZ TYR B 87 3.002 14.435 -6.991 1.00 1.29 C ATOM 2908 OH TYR B 87 3.302 15.120 -8.148 1.00 1.51 O ATOM 0 H TYR B 87 2.168 11.348 -1.002 1.00 0.58 H new ATOM 0 HA TYR B 87 3.317 13.699 -2.316 1.00 0.65 H new ATOM 0 HB2 TYR B 87 2.626 11.381 -3.359 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.018 12.077 -3.354 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.516 12.903 -4.414 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.358 13.407 -5.186 1.00 1.43 H new ATOM 0 HE1 TYR B 87 5.050 14.112 -6.482 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.890 14.617 -7.256 1.00 1.54 H new ATOM 0 HH TYR B 87 2.472 15.389 -8.594 1.00 1.51 H new ATOM 2918 N HIS B 88 1.118 14.208 -0.407 1.00 0.59 N ATOM 2919 CA HIS B 88 0.024 14.952 0.250 1.00 0.62 C ATOM 2920 C HIS B 88 -0.263 16.378 -0.280 1.00 0.70 C ATOM 2921 O HIS B 88 -0.892 17.171 0.418 1.00 0.76 O ATOM 2922 CB HIS B 88 0.332 15.036 1.754 1.00 0.65 C ATOM 2923 CG HIS B 88 1.643 15.697 2.090 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.665 15.041 2.738 1.00 2.37 N ATOM 2925 CD2 HIS B 88 2.089 16.959 1.877 1.00 2.40 C ATOM 2926 CE1 HIS B 88 3.680 15.866 2.908 1.00 3.26 C ATOM 2927 NE2 HIS B 88 3.357 17.036 2.395 1.00 3.27 N ATOM 0 H HIS B 88 1.762 13.796 0.268 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.880 14.387 0.021 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.472 15.583 2.246 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.332 14.028 2.168 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.641 14.067 3.040 1.00 2.37 H new ATOM 0 HD2 HIS B 88 1.547 17.756 1.390 1.00 2.40 H new ATOM 0 HE1 HIS B 88 4.617 15.624 3.387 1.00 3.26 H new ATOM 2936 N THR B 89 0.183 16.711 -1.474 1.00 0.73 N ATOM 2937 CA THR B 89 -0.081 18.018 -2.052 1.00 0.81 C ATOM 2938 C THR B 89 -1.573 18.186 -2.386 1.00 0.72 C ATOM 2939 O THR B 89 -2.160 19.239 -2.120 1.00 1.05 O ATOM 2940 CB THR B 89 0.792 18.261 -3.310 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.413 19.484 -3.954 1.00 1.27 O ATOM 2942 CG2 THR B 89 0.685 17.109 -4.301 1.00 0.90 C ATOM 0 H THR B 89 0.734 16.092 -2.068 1.00 0.73 H new ATOM 0 HA THR B 89 0.185 18.767 -1.306 1.00 0.81 H new ATOM 0 HB THR B 89 1.828 18.330 -2.977 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.974 19.624 -4.745 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.311 17.316 -5.169 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.019 16.187 -3.825 1.00 0.90 H new ATOM 0 HG23 THR B 89 -0.352 16.998 -4.619 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.190 17.147 -2.950 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.608 17.201 -3.323 1.00 0.65 C ATOM 2952 C HIS B 90 -4.313 15.898 -3.008 1.00 0.94 C ATOM 2953 O HIS B 90 -5.412 15.643 -3.495 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.779 17.525 -4.806 1.00 0.91 C ATOM 2955 CG HIS B 90 -3.331 18.905 -5.180 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -4.070 20.037 -4.906 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -2.206 19.335 -5.795 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -3.417 21.099 -5.336 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -2.284 20.702 -5.878 1.00 3.47 N ATOM 0 H HIS B 90 -1.733 16.259 -3.159 1.00 0.66 H new ATOM 0 HA HIS B 90 -4.060 17.997 -2.732 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.217 16.799 -5.394 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.829 17.409 -5.075 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -1.396 18.717 -6.154 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -3.754 22.122 -5.257 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -1.579 21.312 -6.292 1.00 3.47 H new ATOM 2968 N LYS B 91 -3.677 15.076 -2.203 1.00 0.91 N ATOM 2969 CA LYS B 91 -4.318 13.884 -1.689 1.00 1.63 C ATOM 2970 C LYS B 91 -4.399 13.981 -0.175 1.00 2.59 C ATOM 2971 O LYS B 91 -4.627 12.998 0.517 1.00 3.47 O ATOM 2972 CB LYS B 91 -3.580 12.619 -2.147 1.00 1.10 C ATOM 2973 CG LYS B 91 -3.852 12.269 -3.605 1.00 1.28 C ATOM 2974 CD LYS B 91 -3.051 11.062 -4.075 1.00 0.87 C ATOM 2975 CE LYS B 91 -3.436 10.665 -5.493 1.00 0.78 C ATOM 2976 NZ LYS B 91 -3.209 11.761 -6.475 1.00 1.29 N ATOM 0 H LYS B 91 -2.716 15.210 -1.889 1.00 0.91 H new ATOM 0 HA LYS B 91 -5.330 13.811 -2.088 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -2.508 12.759 -2.006 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.878 11.782 -1.516 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -4.915 12.068 -3.735 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -3.611 13.127 -4.232 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -1.986 11.291 -4.035 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.222 10.223 -3.400 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -2.859 9.790 -5.791 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -4.487 10.376 -5.513 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -3.340 11.395 -7.440 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -3.888 12.529 -6.301 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -2.240 12.125 -6.371 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.240 15.203 0.318 1.00 2.69 N ATOM 2991 CA GLU B 92 -4.325 15.485 1.745 1.00 3.81 C ATOM 2992 C GLU B 92 -4.931 16.870 1.942 1.00 4.36 C ATOM 2993 O GLU B 92 -6.031 16.968 2.527 1.00 4.92 O ATOM 2994 CB GLU B 92 -2.933 15.408 2.383 1.00 4.66 C ATOM 2995 CG GLU B 92 -2.927 15.203 3.896 1.00 5.74 C ATOM 2996 CD GLU B 92 -3.383 16.417 4.682 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -2.695 17.461 4.626 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -4.418 16.326 5.379 1.00 7.08 O ATOM 2999 OXT GLU B 92 -4.322 17.851 1.470 1.00 4.64 O ATOM 0 H GLU B 92 -4.049 16.023 -0.258 1.00 2.69 H new ATOM 0 HA GLU B 92 -4.960 14.743 2.229 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -2.382 14.590 1.919 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -2.393 16.327 2.154 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -3.573 14.360 4.141 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -1.919 14.935 4.213 1.00 5.74 H new TER 3006 GLU B 92