USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1102 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 61 SER OG : rot 80:sc= 0.97 USER MOD Set 1.2: B 72 TYR OH : rot -44:sc= 0.0128 USER MOD Set 2.1: B 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 83 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.62) USER MOD Set 3.1: B 37 LYS NZ :NH3+ 174:sc= 1.5 (180deg=1.19) USER MOD Set 3.2: B 40 THR OG1 : rot 180:sc= 0.349 USER MOD Set 4.1: A 37 LYS NZ :NH3+ -166:sc= 0.709 (180deg=-0.57) USER MOD Set 4.2: A 40 THR OG1 : rot 136:sc= 1.06 USER MOD Set 5.1: A 26 SER OG : rot -102:sc= 0.11 USER MOD Set 5.2: A 28 GLN : amide:sc= -0.0536 K(o=0.057,f=-4.2!) USER MOD Set 6.1: A 24 GLN : amide:sc= 0.583 K(o=0.17,f=-5.4!) USER MOD Set 6.2: B 26 SER OG : rot 44:sc= -0.408! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -88:sc= 1.25 USER MOD Single : A 32 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -2.31! (180deg=-3.4!) USER MOD Single : A 42 ASN : amide:sc= -0.421 K(o=-0.42,f=-1.5) USER MOD Single : A 44 SER OG : rot 60:sc= 1.25 USER MOD Single : A 45 GLN : amide:sc= -1.55! C(o=-1.5!,f=-6.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.77 K(o=-1.8,f=-1) USER MOD Single : A 51 SER OG : rot 101:sc= 0.213 USER MOD Single : A 52 SER OG : rot 180:sc= 0.00624 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.933) USER MOD Single : A 61 SER OG : rot 115:sc= 0.387 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 1.22 (180deg=0.589) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.714 K(o=0.71,f=-5.6!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.074) USER MOD Single : B 24 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.9) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= 0.889 K(o=0.89,f=-5.8!) USER MOD Single : B 34 LYS NZ :NH3+ 170:sc= -0.0223 (180deg=-0.191) USER MOD Single : B 42 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : B 44 SER OG : rot -65:sc= 0.747 USER MOD Single : B 45 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.7!) USER MOD Single : B 49 GLN : amide:sc= -0.842 K(o=-0.84,f=-5.4!) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot -24:sc= 0.922 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.929) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 TYR OH : rot 180:sc= 0 USER MOD Single : B 73 HIS : no HE2:sc= -0.118 K(o=-0.12,f=-4.4!) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 91 TYR OH : rot 6:sc= 0.2 USER MOD Single : B 92 ASN : amide:sc= 0.972 K(o=0.97,f=0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.266 -5.671 -8.578 1.00 0.00 N ATOM 2 CA ALA A 22 -6.637 -4.703 -7.522 1.00 0.00 C ATOM 3 C ALA A 22 -5.393 -4.027 -6.966 1.00 0.00 C ATOM 4 O ALA A 22 -4.359 -4.669 -6.776 1.00 0.00 O ATOM 5 CB ALA A 22 -7.411 -5.394 -6.409 1.00 0.00 C ATOM 0 HA ALA A 22 -7.280 -3.941 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.674 -4.665 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.320 -5.835 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.794 -6.177 -5.968 1.00 0.00 H new ATOM 13 N GLU A 23 -5.497 -2.730 -6.707 1.00 0.00 N ATOM 14 CA GLU A 23 -4.369 -1.958 -6.206 1.00 0.00 C ATOM 15 C GLU A 23 -4.465 -1.767 -4.701 1.00 0.00 C ATOM 16 O GLU A 23 -5.561 -1.715 -4.141 1.00 0.00 O ATOM 17 CB GLU A 23 -4.308 -0.589 -6.882 1.00 0.00 C ATOM 18 CG GLU A 23 -4.162 -0.657 -8.389 1.00 0.00 C ATOM 19 CD GLU A 23 -3.900 0.699 -9.003 1.00 0.00 C ATOM 20 OE1 GLU A 23 -2.726 1.127 -9.027 1.00 0.00 O ATOM 21 OE2 GLU A 23 -4.861 1.346 -9.464 1.00 0.00 O ATOM 0 H GLU A 23 -6.353 -2.190 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.462 -2.516 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.214 -0.033 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.469 -0.028 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.344 -1.332 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.069 -1.079 -8.821 1.00 0.00 H new ATOM 28 N GLN A 24 -3.317 -1.656 -4.051 1.00 0.00 N ATOM 29 CA GLN A 24 -3.280 -1.395 -2.622 1.00 0.00 C ATOM 30 C GLN A 24 -3.340 0.104 -2.360 1.00 0.00 C ATOM 31 O GLN A 24 -2.517 0.866 -2.867 1.00 0.00 O ATOM 32 CB GLN A 24 -2.019 -1.984 -1.984 1.00 0.00 C ATOM 33 CG GLN A 24 -1.935 -1.719 -0.488 1.00 0.00 C ATOM 34 CD GLN A 24 -0.657 -2.233 0.146 1.00 0.00 C ATOM 35 OE1 GLN A 24 -0.163 -1.657 1.113 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.121 -3.320 -0.381 1.00 0.00 N ATOM 0 H GLN A 24 -2.400 -1.743 -4.490 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.148 -1.875 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.997 -3.060 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.140 -1.564 -2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.013 -0.646 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.789 -2.185 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.562 -3.768 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.734 -3.711 0.015 1.00 0.00 H new ATOM 45 N VAL A 25 -4.324 0.518 -1.579 1.00 0.00 N ATOM 46 CA VAL A 25 -4.488 1.922 -1.236 1.00 0.00 C ATOM 47 C VAL A 25 -4.066 2.183 0.203 1.00 0.00 C ATOM 48 O VAL A 25 -4.391 1.412 1.108 1.00 0.00 O ATOM 49 CB VAL A 25 -5.943 2.400 -1.440 1.00 0.00 C ATOM 50 CG1 VAL A 25 -6.264 2.512 -2.920 1.00 0.00 C ATOM 51 CG2 VAL A 25 -6.928 1.462 -0.755 1.00 0.00 C ATOM 0 H VAL A 25 -5.024 -0.100 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.844 2.487 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.040 3.386 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.293 2.850 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.588 3.229 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.142 1.538 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.944 1.822 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.828 0.461 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.718 1.431 0.314 1.00 0.00 H new ATOM 61 N SER A 26 -3.329 3.260 0.407 1.00 0.00 N ATOM 62 CA SER A 26 -2.887 3.634 1.737 1.00 0.00 C ATOM 63 C SER A 26 -3.887 4.599 2.372 1.00 0.00 C ATOM 64 O SER A 26 -4.769 5.128 1.694 1.00 0.00 O ATOM 65 CB SER A 26 -1.490 4.265 1.681 1.00 0.00 C ATOM 66 OG SER A 26 -0.947 4.420 2.984 1.00 0.00 O ATOM 0 H SER A 26 -3.024 3.892 -0.333 1.00 0.00 H new ATOM 0 HA SER A 26 -2.832 2.736 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.829 3.640 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.545 5.236 1.189 1.00 0.00 H new ATOM 0 HG SER A 26 -1.034 5.355 3.266 1.00 0.00 H new ATOM 72 N LYS A 27 -3.733 4.832 3.672 1.00 0.00 N ATOM 73 CA LYS A 27 -4.646 5.684 4.431 1.00 0.00 C ATOM 74 C LYS A 27 -4.737 7.082 3.835 1.00 0.00 C ATOM 75 O LYS A 27 -5.827 7.641 3.689 1.00 0.00 O ATOM 76 CB LYS A 27 -4.179 5.783 5.883 1.00 0.00 C ATOM 77 CG LYS A 27 -4.565 4.593 6.743 1.00 0.00 C ATOM 78 CD LYS A 27 -6.064 4.564 6.988 1.00 0.00 C ATOM 79 CE LYS A 27 -6.440 3.531 8.033 1.00 0.00 C ATOM 80 NZ LYS A 27 -7.885 3.586 8.366 1.00 0.00 N ATOM 0 H LYS A 27 -2.975 4.437 4.229 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.636 5.229 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.094 5.891 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.595 6.688 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.255 3.670 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.038 4.642 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.399 5.549 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.581 4.343 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.189 2.535 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.852 3.696 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.104 2.865 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.120 4.528 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.446 3.403 7.509 1.00 0.00 H new ATOM 94 N GLN A 28 -3.585 7.631 3.484 1.00 0.00 N ATOM 95 CA GLN A 28 -3.499 8.995 2.988 1.00 0.00 C ATOM 96 C GLN A 28 -4.141 9.125 1.608 1.00 0.00 C ATOM 97 O GLN A 28 -4.566 10.210 1.217 1.00 0.00 O ATOM 98 CB GLN A 28 -2.036 9.459 2.943 1.00 0.00 C ATOM 99 CG GLN A 28 -1.382 9.599 4.317 1.00 0.00 C ATOM 100 CD GLN A 28 -1.190 8.274 5.037 1.00 0.00 C ATOM 101 OE1 GLN A 28 -1.011 7.229 4.408 1.00 0.00 O ATOM 102 NE2 GLN A 28 -1.235 8.310 6.357 1.00 0.00 N ATOM 0 H GLN A 28 -2.688 7.147 3.534 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.050 9.636 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.460 8.750 2.349 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.986 10.419 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.413 10.084 4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.994 10.254 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.385 9.197 6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.119 7.451 6.895 1.00 0.00 H new ATOM 111 N GLU A 29 -4.224 8.017 0.884 1.00 0.00 N ATOM 112 CA GLU A 29 -4.861 8.011 -0.427 1.00 0.00 C ATOM 113 C GLU A 29 -6.375 7.922 -0.268 1.00 0.00 C ATOM 114 O GLU A 29 -7.125 8.694 -0.872 1.00 0.00 O ATOM 115 CB GLU A 29 -4.360 6.833 -1.266 1.00 0.00 C ATOM 116 CG GLU A 29 -2.850 6.795 -1.441 1.00 0.00 C ATOM 117 CD GLU A 29 -2.398 5.607 -2.266 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.778 4.468 -1.926 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.666 5.803 -3.255 1.00 0.00 O ATOM 0 H GLU A 29 -3.859 7.112 1.181 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.604 8.938 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.685 5.903 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.828 6.876 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.519 7.716 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.373 6.757 -0.461 1.00 0.00 H new ATOM 126 N ILE A 30 -6.808 6.988 0.574 1.00 0.00 N ATOM 127 CA ILE A 30 -8.229 6.757 0.829 1.00 0.00 C ATOM 128 C ILE A 30 -8.923 8.028 1.308 1.00 0.00 C ATOM 129 O ILE A 30 -9.991 8.390 0.812 1.00 0.00 O ATOM 130 CB ILE A 30 -8.432 5.652 1.892 1.00 0.00 C ATOM 131 CG1 ILE A 30 -7.785 4.343 1.434 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.915 5.442 2.170 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.786 3.261 2.493 1.00 0.00 C ATOM 0 H ILE A 30 -6.187 6.371 1.098 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.670 6.441 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.950 5.972 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.311 3.977 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.757 4.542 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.037 4.661 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.351 6.371 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.419 5.144 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.312 2.363 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.234 3.607 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.813 3.033 2.779 1.00 0.00 H new ATOM 145 N SER A 31 -8.298 8.709 2.258 1.00 0.00 N ATOM 146 CA SER A 31 -8.895 9.885 2.875 1.00 0.00 C ATOM 147 C SER A 31 -8.792 11.116 1.974 1.00 0.00 C ATOM 148 O SER A 31 -9.563 12.066 2.119 1.00 0.00 O ATOM 149 CB SER A 31 -8.231 10.152 4.230 1.00 0.00 C ATOM 150 OG SER A 31 -6.813 10.113 4.126 1.00 0.00 O ATOM 0 H SER A 31 -7.375 8.467 2.619 1.00 0.00 H new ATOM 0 HA SER A 31 -9.956 9.685 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.544 11.126 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.565 9.409 4.954 1.00 0.00 H new ATOM 0 HG SER A 31 -6.501 9.194 4.258 1.00 0.00 H new ATOM 156 N HIS A 32 -7.860 11.092 1.028 1.00 0.00 N ATOM 157 CA HIS A 32 -7.632 12.245 0.162 1.00 0.00 C ATOM 158 C HIS A 32 -8.662 12.282 -0.961 1.00 0.00 C ATOM 159 O HIS A 32 -9.173 13.344 -1.314 1.00 0.00 O ATOM 160 CB HIS A 32 -6.218 12.204 -0.428 1.00 0.00 C ATOM 161 CG HIS A 32 -5.705 13.541 -0.880 1.00 0.00 C ATOM 162 ND1 HIS A 32 -4.719 14.230 -0.204 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.035 14.313 -1.945 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.471 15.365 -0.829 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.253 15.440 -1.886 1.00 0.00 N ATOM 0 H HIS A 32 -7.254 10.293 0.841 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.735 13.148 0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.536 11.798 0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.209 11.518 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.774 14.084 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.748 16.108 -0.525 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.274 16.211 -2.553 1.00 0.00 H new ATOM 174 N PHE A 33 -8.966 11.120 -1.521 1.00 0.00 N ATOM 175 CA PHE A 33 -9.896 11.039 -2.640 1.00 0.00 C ATOM 176 C PHE A 33 -11.289 10.626 -2.176 1.00 0.00 C ATOM 177 O PHE A 33 -12.254 10.753 -2.924 1.00 0.00 O ATOM 178 CB PHE A 33 -9.377 10.063 -3.698 1.00 0.00 C ATOM 179 CG PHE A 33 -8.090 10.507 -4.336 1.00 0.00 C ATOM 180 CD1 PHE A 33 -8.098 11.437 -5.364 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.874 10.003 -3.904 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.918 11.853 -5.950 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.691 10.417 -4.485 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.713 11.343 -5.510 1.00 0.00 C ATOM 0 H PHE A 33 -8.584 10.223 -1.221 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.971 12.032 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.229 9.086 -3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.135 9.940 -4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.038 11.841 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.851 9.278 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.938 12.577 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.750 10.017 -4.138 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.789 11.667 -5.966 1.00 0.00 H new ATOM 194 N LYS A 34 -11.384 10.171 -0.927 1.00 0.00 N ATOM 195 CA LYS A 34 -12.645 9.691 -0.351 1.00 0.00 C ATOM 196 C LYS A 34 -13.140 8.459 -1.100 1.00 0.00 C ATOM 197 O LYS A 34 -14.048 8.541 -1.928 1.00 0.00 O ATOM 198 CB LYS A 34 -13.738 10.777 -0.339 1.00 0.00 C ATOM 199 CG LYS A 34 -13.505 11.907 0.661 1.00 0.00 C ATOM 200 CD LYS A 34 -12.380 12.848 0.239 1.00 0.00 C ATOM 201 CE LYS A 34 -12.826 13.870 -0.807 1.00 0.00 C ATOM 202 NZ LYS A 34 -13.288 13.243 -2.076 1.00 0.00 N ATOM 0 H LYS A 34 -10.593 10.124 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.438 9.426 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.816 11.205 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.696 10.306 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.426 12.478 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.269 11.480 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.003 13.373 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.553 12.262 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.632 14.476 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.998 14.545 -1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.205 13.930 -2.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.701 12.411 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.281 12.950 -1.977 1.00 0.00 H new ATOM 216 N LEU A 35 -12.519 7.323 -0.820 1.00 0.00 N ATOM 217 CA LEU A 35 -12.868 6.079 -1.493 1.00 0.00 C ATOM 218 C LEU A 35 -14.104 5.440 -0.867 1.00 0.00 C ATOM 219 O LEU A 35 -14.417 5.675 0.302 1.00 0.00 O ATOM 220 CB LEU A 35 -11.691 5.102 -1.454 1.00 0.00 C ATOM 221 CG LEU A 35 -10.441 5.559 -2.211 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.334 4.526 -2.079 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.765 5.806 -3.677 1.00 0.00 C ATOM 0 H LEU A 35 -11.771 7.236 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.098 6.314 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.421 4.924 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.018 4.147 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.096 6.495 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.453 4.866 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.083 4.394 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.672 3.576 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.865 6.130 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.134 4.885 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.528 6.580 -3.755 1.00 0.00 H new ATOM 235 N VAL A 36 -14.792 4.629 -1.655 1.00 0.00 N ATOM 236 CA VAL A 36 -16.028 3.985 -1.230 1.00 0.00 C ATOM 237 C VAL A 36 -15.737 2.578 -0.709 1.00 0.00 C ATOM 238 O VAL A 36 -15.334 1.706 -1.469 1.00 0.00 O ATOM 239 CB VAL A 36 -17.021 3.907 -2.414 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.327 3.241 -2.014 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.284 5.295 -2.979 1.00 0.00 C ATOM 0 H VAL A 36 -14.510 4.398 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.472 4.577 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.562 3.290 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.996 3.206 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.127 2.227 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.796 3.812 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.984 5.222 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.709 5.930 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.347 5.728 -3.330 1.00 0.00 H new ATOM 251 N LYS A 37 -15.920 2.360 0.586 1.00 0.00 N ATOM 252 CA LYS A 37 -15.612 1.063 1.178 1.00 0.00 C ATOM 253 C LYS A 37 -16.719 0.056 0.882 1.00 0.00 C ATOM 254 O LYS A 37 -17.894 0.309 1.147 1.00 0.00 O ATOM 255 CB LYS A 37 -15.398 1.200 2.688 1.00 0.00 C ATOM 256 CG LYS A 37 -14.789 -0.032 3.337 1.00 0.00 C ATOM 257 CD LYS A 37 -14.524 0.193 4.818 1.00 0.00 C ATOM 258 CE LYS A 37 -13.924 -1.038 5.474 1.00 0.00 C ATOM 259 NZ LYS A 37 -14.795 -2.232 5.312 1.00 0.00 N ATOM 0 H LYS A 37 -16.276 3.055 1.242 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.689 0.694 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.750 2.056 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.356 1.413 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.461 -0.881 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.856 -0.287 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.847 1.038 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.456 0.455 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.945 -1.241 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.767 -0.844 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.481 -2.981 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.779 -1.976 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.735 -2.575 4.332 1.00 0.00 H new ATOM 273 N VAL A 38 -16.331 -1.081 0.321 1.00 0.00 N ATOM 274 CA VAL A 38 -17.277 -2.125 -0.049 1.00 0.00 C ATOM 275 C VAL A 38 -17.433 -3.123 1.091 1.00 0.00 C ATOM 276 O VAL A 38 -18.542 -3.544 1.421 1.00 0.00 O ATOM 277 CB VAL A 38 -16.814 -2.875 -1.319 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.921 -3.763 -1.866 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.345 -1.896 -2.378 1.00 0.00 C ATOM 0 H VAL A 38 -15.358 -1.305 0.111 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.234 -1.646 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.975 -3.514 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.567 -4.278 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.204 -4.497 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.787 -3.151 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.023 -2.444 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.164 -1.227 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.510 -1.312 -1.990 1.00 0.00 H new ATOM 289 N GLY A 39 -16.311 -3.489 1.697 1.00 0.00 N ATOM 290 CA GLY A 39 -16.330 -4.445 2.785 1.00 0.00 C ATOM 291 C GLY A 39 -14.940 -4.711 3.321 1.00 0.00 C ATOM 292 O GLY A 39 -14.010 -3.952 3.041 1.00 0.00 O ATOM 0 H GLY A 39 -15.385 -3.139 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.964 -4.070 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.772 -5.380 2.440 1.00 0.00 H new ATOM 296 N THR A 40 -14.800 -5.775 4.093 1.00 0.00 N ATOM 297 CA THR A 40 -13.515 -6.160 4.658 1.00 0.00 C ATOM 298 C THR A 40 -13.286 -7.659 4.451 1.00 0.00 C ATOM 299 O THR A 40 -14.096 -8.484 4.874 1.00 0.00 O ATOM 300 CB THR A 40 -13.441 -5.821 6.166 1.00 0.00 C ATOM 301 OG1 THR A 40 -13.606 -4.408 6.365 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.112 -6.259 6.764 1.00 0.00 C ATOM 0 H THR A 40 -15.569 -6.395 4.346 1.00 0.00 H new ATOM 0 HA THR A 40 -12.736 -5.596 4.145 1.00 0.00 H new ATOM 0 HB THR A 40 -14.245 -6.360 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.218 -4.252 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.090 -6.008 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.996 -7.336 6.644 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.297 -5.747 6.253 1.00 0.00 H new ATOM 310 N ILE A 41 -12.193 -8.000 3.789 1.00 0.00 N ATOM 311 CA ILE A 41 -11.883 -9.391 3.495 1.00 0.00 C ATOM 312 C ILE A 41 -10.844 -9.935 4.461 1.00 0.00 C ATOM 313 O ILE A 41 -10.037 -9.183 5.011 1.00 0.00 O ATOM 314 CB ILE A 41 -11.367 -9.572 2.051 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.209 -8.606 1.770 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.497 -9.372 1.054 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.605 -8.758 0.392 1.00 0.00 C ATOM 0 H ILE A 41 -11.504 -7.332 3.444 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.814 -9.947 3.608 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.993 -10.590 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.565 -7.583 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.430 -8.761 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.116 -9.503 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.283 -10.103 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.903 -8.366 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.793 -8.041 0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.217 -9.770 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.369 -8.573 -0.363 1.00 0.00 H new ATOM 329 N ASN A 42 -10.877 -11.240 4.668 1.00 0.00 N ATOM 330 CA ASN A 42 -9.922 -11.907 5.538 1.00 0.00 C ATOM 331 C ASN A 42 -9.469 -13.217 4.918 1.00 0.00 C ATOM 332 O ASN A 42 -10.294 -14.054 4.540 1.00 0.00 O ATOM 333 CB ASN A 42 -10.540 -12.189 6.911 1.00 0.00 C ATOM 334 CG ASN A 42 -9.573 -12.897 7.847 1.00 0.00 C ATOM 335 OD1 ASN A 42 -8.373 -12.626 7.846 1.00 0.00 O ATOM 336 ND2 ASN A 42 -10.082 -13.832 8.633 1.00 0.00 N ATOM 0 H ASN A 42 -11.561 -11.864 4.241 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.065 -11.245 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.857 -11.250 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.434 -12.800 6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.474 -14.354 9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.082 -14.031 8.608 1.00 0.00 H new ATOM 343 N VAL A 43 -8.166 -13.395 4.807 1.00 0.00 N ATOM 344 CA VAL A 43 -7.613 -14.666 4.400 1.00 0.00 C ATOM 345 C VAL A 43 -7.098 -15.389 5.630 1.00 0.00 C ATOM 346 O VAL A 43 -6.028 -15.066 6.146 1.00 0.00 O ATOM 347 CB VAL A 43 -6.439 -14.531 3.402 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.953 -15.903 2.957 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.832 -13.701 2.197 1.00 0.00 C ATOM 0 H VAL A 43 -7.472 -12.671 4.994 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.412 -15.214 3.900 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.626 -14.018 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.127 -15.786 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.615 -16.468 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.769 -16.438 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.985 -13.625 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.669 -14.176 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.126 -12.703 2.523 1.00 0.00 H new ATOM 359 N SER A 44 -7.879 -16.334 6.117 1.00 0.00 N ATOM 360 CA SER A 44 -7.436 -17.157 7.217 1.00 0.00 C ATOM 361 C SER A 44 -6.671 -18.338 6.643 1.00 0.00 C ATOM 362 O SER A 44 -7.241 -19.374 6.292 1.00 0.00 O ATOM 363 CB SER A 44 -8.623 -17.608 8.072 1.00 0.00 C ATOM 364 OG SER A 44 -8.189 -18.165 9.303 1.00 0.00 O ATOM 0 H SER A 44 -8.814 -16.547 5.770 1.00 0.00 H new ATOM 0 HA SER A 44 -6.780 -16.588 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.278 -16.759 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.210 -18.345 7.524 1.00 0.00 H new ATOM 0 HG SER A 44 -7.678 -17.495 9.803 1.00 0.00 H new ATOM 370 N GLN A 45 -5.374 -18.141 6.527 1.00 0.00 N ATOM 371 CA GLN A 45 -4.494 -19.068 5.854 1.00 0.00 C ATOM 372 C GLN A 45 -3.615 -19.759 6.886 1.00 0.00 C ATOM 373 O GLN A 45 -3.765 -19.523 8.084 1.00 0.00 O ATOM 374 CB GLN A 45 -3.645 -18.297 4.834 1.00 0.00 C ATOM 375 CG GLN A 45 -3.422 -19.019 3.511 1.00 0.00 C ATOM 376 CD GLN A 45 -4.703 -19.306 2.744 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.770 -19.493 3.322 1.00 0.00 O ATOM 378 NE2 GLN A 45 -4.605 -19.340 1.425 1.00 0.00 N ATOM 0 H GLN A 45 -4.897 -17.321 6.903 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.069 -19.828 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.125 -17.340 4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.675 -18.079 5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.763 -18.417 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.907 -19.960 3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.703 -19.180 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.431 -19.526 0.857 1.00 0.00 H new ATOM 387 N SER A 46 -2.734 -20.633 6.444 1.00 0.00 N ATOM 388 CA SER A 46 -1.820 -21.300 7.352 1.00 0.00 C ATOM 389 C SER A 46 -0.375 -21.056 6.921 1.00 0.00 C ATOM 390 O SER A 46 -0.111 -20.798 5.742 1.00 0.00 O ATOM 391 CB SER A 46 -2.134 -22.794 7.395 1.00 0.00 C ATOM 392 OG SER A 46 -3.515 -23.010 7.655 1.00 0.00 O ATOM 0 H SER A 46 -2.631 -20.898 5.465 1.00 0.00 H new ATOM 0 HA SER A 46 -1.946 -20.891 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.861 -23.255 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.534 -23.275 8.168 1.00 0.00 H new ATOM 0 HG SER A 46 -3.697 -23.973 7.677 1.00 0.00 H new ATOM 398 N GLY A 47 0.545 -21.119 7.881 1.00 0.00 N ATOM 399 CA GLY A 47 1.948 -20.868 7.602 1.00 0.00 C ATOM 400 C GLY A 47 2.531 -21.844 6.600 1.00 0.00 C ATOM 401 O GLY A 47 2.792 -23.003 6.927 1.00 0.00 O ATOM 0 H GLY A 47 0.340 -21.342 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.062 -19.853 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.515 -20.926 8.531 1.00 0.00 H new ATOM 405 N GLY A 48 2.735 -21.370 5.381 1.00 0.00 N ATOM 406 CA GLY A 48 3.245 -22.216 4.325 1.00 0.00 C ATOM 407 C GLY A 48 2.649 -21.853 2.985 1.00 0.00 C ATOM 408 O GLY A 48 3.366 -21.707 1.997 1.00 0.00 O ATOM 0 H GLY A 48 2.554 -20.405 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.330 -22.126 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.022 -23.258 4.553 1.00 0.00 H new ATOM 412 N GLN A 49 1.329 -21.693 2.962 1.00 0.00 N ATOM 413 CA GLN A 49 0.628 -21.291 1.748 1.00 0.00 C ATOM 414 C GLN A 49 1.042 -19.880 1.360 1.00 0.00 C ATOM 415 O GLN A 49 1.638 -19.664 0.305 1.00 0.00 O ATOM 416 CB GLN A 49 -0.895 -21.369 1.937 1.00 0.00 C ATOM 417 CG GLN A 49 -1.464 -22.784 1.896 1.00 0.00 C ATOM 418 CD GLN A 49 -0.960 -23.670 3.019 1.00 0.00 C ATOM 419 OE1 GLN A 49 0.061 -24.343 2.886 1.00 0.00 O ATOM 420 NE2 GLN A 49 -1.677 -23.689 4.130 1.00 0.00 N ATOM 0 H GLN A 49 0.724 -21.836 3.771 1.00 0.00 H new ATOM 0 HA GLN A 49 0.900 -21.979 0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.154 -20.914 2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.376 -20.774 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.552 -22.732 1.945 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.210 -23.242 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.518 -23.117 4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.389 -24.276 4.913 1.00 0.00 H new ATOM 429 N ILE A 50 0.743 -18.924 2.225 1.00 0.00 N ATOM 430 CA ILE A 50 1.210 -17.567 2.027 1.00 0.00 C ATOM 431 C ILE A 50 2.567 -17.392 2.684 1.00 0.00 C ATOM 432 O ILE A 50 2.703 -17.461 3.909 1.00 0.00 O ATOM 433 CB ILE A 50 0.223 -16.513 2.566 1.00 0.00 C ATOM 434 CG1 ILE A 50 -1.069 -16.546 1.750 1.00 0.00 C ATOM 435 CG2 ILE A 50 0.848 -15.121 2.527 1.00 0.00 C ATOM 436 CD1 ILE A 50 -2.028 -15.431 2.088 1.00 0.00 C ATOM 0 H ILE A 50 0.182 -19.064 3.065 1.00 0.00 H new ATOM 0 HA ILE A 50 1.290 -17.406 0.952 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.011 -16.749 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.821 -16.491 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.566 -17.502 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.135 -14.391 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.748 -15.109 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.108 -14.868 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.921 -15.519 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.307 -15.497 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.550 -14.470 1.899 1.00 0.00 H new ATOM 448 N SER A 51 3.564 -17.195 1.850 1.00 0.00 N ATOM 449 CA SER A 51 4.933 -17.040 2.298 1.00 0.00 C ATOM 450 C SER A 51 5.579 -15.842 1.609 1.00 0.00 C ATOM 451 O SER A 51 6.386 -15.127 2.203 1.00 0.00 O ATOM 452 CB SER A 51 5.722 -18.319 2.007 1.00 0.00 C ATOM 453 OG SER A 51 5.133 -19.442 2.647 1.00 0.00 O ATOM 0 H SER A 51 3.449 -17.137 0.838 1.00 0.00 H new ATOM 0 HA SER A 51 4.940 -16.862 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.760 -18.489 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.751 -18.201 2.348 1.00 0.00 H new ATOM 0 HG SER A 51 4.605 -19.949 1.996 1.00 0.00 H new ATOM 459 N SER A 52 5.209 -15.625 0.355 1.00 0.00 N ATOM 460 CA SER A 52 5.707 -14.490 -0.397 1.00 0.00 C ATOM 461 C SER A 52 4.668 -13.373 -0.410 1.00 0.00 C ATOM 462 O SER A 52 3.468 -13.636 -0.299 1.00 0.00 O ATOM 463 CB SER A 52 6.042 -14.917 -1.830 1.00 0.00 C ATOM 464 OG SER A 52 4.905 -15.465 -2.477 1.00 0.00 O ATOM 0 H SER A 52 4.564 -16.223 -0.161 1.00 0.00 H new ATOM 0 HA SER A 52 6.614 -14.119 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.406 -14.058 -2.393 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.846 -15.653 -1.815 1.00 0.00 H new ATOM 0 HG SER A 52 5.144 -15.728 -3.390 1.00 0.00 H new ATOM 470 N PRO A 53 5.110 -12.112 -0.534 1.00 0.00 N ATOM 471 CA PRO A 53 4.199 -10.971 -0.648 1.00 0.00 C ATOM 472 C PRO A 53 3.296 -11.101 -1.872 1.00 0.00 C ATOM 473 O PRO A 53 2.142 -10.675 -1.854 1.00 0.00 O ATOM 474 CB PRO A 53 5.134 -9.766 -0.791 1.00 0.00 C ATOM 475 CG PRO A 53 6.445 -10.225 -0.253 1.00 0.00 C ATOM 476 CD PRO A 53 6.522 -11.694 -0.554 1.00 0.00 C ATOM 0 HA PRO A 53 3.528 -10.890 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.222 -9.457 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.758 -8.907 -0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.269 -9.687 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.513 -10.042 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.985 -11.884 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.111 -12.228 0.191 1.00 0.00 H new ATOM 484 N SER A 54 3.827 -11.713 -2.925 1.00 0.00 N ATOM 485 CA SER A 54 3.076 -11.940 -4.151 1.00 0.00 C ATOM 486 C SER A 54 1.841 -12.800 -3.889 1.00 0.00 C ATOM 487 O SER A 54 0.737 -12.453 -4.305 1.00 0.00 O ATOM 488 CB SER A 54 3.971 -12.612 -5.190 1.00 0.00 C ATOM 489 OG SER A 54 5.157 -11.861 -5.392 1.00 0.00 O ATOM 0 H SER A 54 4.785 -12.063 -2.952 1.00 0.00 H new ATOM 0 HA SER A 54 2.741 -10.975 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.225 -13.620 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.432 -12.710 -6.132 1.00 0.00 H new ATOM 0 HG SER A 54 5.718 -12.308 -6.060 1.00 0.00 H new ATOM 495 N ASP A 55 2.035 -13.912 -3.181 1.00 0.00 N ATOM 496 CA ASP A 55 0.938 -14.823 -2.857 1.00 0.00 C ATOM 497 C ASP A 55 -0.091 -14.105 -1.988 1.00 0.00 C ATOM 498 O ASP A 55 -1.302 -14.272 -2.157 1.00 0.00 O ATOM 499 CB ASP A 55 1.475 -16.058 -2.125 1.00 0.00 C ATOM 500 CG ASP A 55 0.499 -17.222 -2.123 1.00 0.00 C ATOM 501 OD1 ASP A 55 -0.520 -17.158 -1.410 1.00 0.00 O ATOM 502 OD2 ASP A 55 0.760 -18.218 -2.834 1.00 0.00 O ATOM 0 H ASP A 55 2.943 -14.204 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 55 0.460 -15.145 -3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.407 -16.374 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.712 -15.788 -1.096 1.00 0.00 H new ATOM 507 N LEU A 56 0.413 -13.280 -1.077 1.00 0.00 N ATOM 508 CA LEU A 56 -0.432 -12.470 -0.210 1.00 0.00 C ATOM 509 C LEU A 56 -1.315 -11.531 -1.032 1.00 0.00 C ATOM 510 O LEU A 56 -2.534 -11.501 -0.858 1.00 0.00 O ATOM 511 CB LEU A 56 0.432 -11.659 0.760 1.00 0.00 C ATOM 512 CG LEU A 56 -0.335 -10.730 1.704 1.00 0.00 C ATOM 513 CD1 LEU A 56 -1.246 -11.529 2.622 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.632 -9.883 2.516 1.00 0.00 C ATOM 0 H LEU A 56 1.413 -13.155 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.077 -13.139 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.022 -12.352 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.135 -11.060 0.180 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.956 -10.066 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.782 -10.849 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.962 -12.092 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.648 -12.219 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.071 -9.228 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.278 -10.533 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.241 -9.280 1.843 1.00 0.00 H new ATOM 526 N ARG A 57 -0.697 -10.773 -1.936 1.00 0.00 N ATOM 527 CA ARG A 57 -1.433 -9.829 -2.776 1.00 0.00 C ATOM 528 C ARG A 57 -2.391 -10.573 -3.694 1.00 0.00 C ATOM 529 O ARG A 57 -3.465 -10.069 -4.020 1.00 0.00 O ATOM 530 CB ARG A 57 -0.479 -8.973 -3.612 1.00 0.00 C ATOM 531 CG ARG A 57 0.588 -8.279 -2.790 1.00 0.00 C ATOM 532 CD ARG A 57 1.442 -7.348 -3.637 1.00 0.00 C ATOM 533 NE ARG A 57 2.764 -7.140 -3.046 1.00 0.00 N ATOM 534 CZ ARG A 57 2.989 -6.514 -1.891 1.00 0.00 C ATOM 535 NH1 ARG A 57 1.996 -5.948 -1.216 1.00 0.00 N ATOM 536 NH2 ARG A 57 4.220 -6.446 -1.411 1.00 0.00 N ATOM 0 H ARG A 57 0.309 -10.794 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.001 -9.171 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.002 -9.604 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.056 -8.222 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.116 -7.710 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.225 -9.026 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.552 -7.765 -4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.937 -6.388 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 57 3.572 -7.500 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.044 -5.988 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.185 -5.473 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.992 -6.872 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.397 -5.968 -0.528 1.00 0.00 H new ATOM 550 N GLU A 58 -1.991 -11.774 -4.095 1.00 0.00 N ATOM 551 CA GLU A 58 -2.813 -12.623 -4.945 1.00 0.00 C ATOM 552 C GLU A 58 -4.150 -12.913 -4.272 1.00 0.00 C ATOM 553 O GLU A 58 -5.202 -12.624 -4.832 1.00 0.00 O ATOM 554 CB GLU A 58 -2.070 -13.926 -5.256 1.00 0.00 C ATOM 555 CG GLU A 58 -2.837 -14.885 -6.154 1.00 0.00 C ATOM 556 CD GLU A 58 -2.034 -16.123 -6.494 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.981 -17.052 -5.662 1.00 0.00 O ATOM 558 OE2 GLU A 58 -1.453 -16.175 -7.596 1.00 0.00 O ATOM 0 H GLU A 58 -1.092 -12.184 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.010 -12.102 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.119 -13.684 -5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.839 -14.431 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.763 -15.180 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.116 -14.372 -7.074 1.00 0.00 H new ATOM 565 N LYS A 59 -4.100 -13.458 -3.061 1.00 0.00 N ATOM 566 CA LYS A 59 -5.311 -13.771 -2.306 1.00 0.00 C ATOM 567 C LYS A 59 -6.122 -12.520 -1.987 1.00 0.00 C ATOM 568 O LYS A 59 -7.352 -12.544 -2.025 1.00 0.00 O ATOM 569 CB LYS A 59 -4.960 -14.514 -1.018 1.00 0.00 C ATOM 570 CG LYS A 59 -4.732 -15.996 -1.236 1.00 0.00 C ATOM 571 CD LYS A 59 -6.030 -16.696 -1.602 1.00 0.00 C ATOM 572 CE LYS A 59 -5.776 -18.031 -2.274 1.00 0.00 C ATOM 573 NZ LYS A 59 -5.200 -17.862 -3.632 1.00 0.00 N ATOM 0 H LYS A 59 -3.232 -13.693 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.928 -14.414 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.063 -14.074 -0.583 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.764 -14.378 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.999 -16.142 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.317 -16.441 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.627 -16.849 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.612 -16.059 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.096 -18.623 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.711 -18.588 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.275 -18.758 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.722 -17.120 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.199 -17.590 -3.553 1.00 0.00 H new ATOM 587 N LEU A 60 -5.436 -11.428 -1.686 1.00 0.00 N ATOM 588 CA LEU A 60 -6.110 -10.180 -1.360 1.00 0.00 C ATOM 589 C LEU A 60 -6.831 -9.611 -2.580 1.00 0.00 C ATOM 590 O LEU A 60 -7.996 -9.225 -2.492 1.00 0.00 O ATOM 591 CB LEU A 60 -5.114 -9.164 -0.800 1.00 0.00 C ATOM 592 CG LEU A 60 -4.490 -9.554 0.542 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.452 -8.530 0.965 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.565 -9.698 1.611 1.00 0.00 C ATOM 0 H LEU A 60 -4.417 -11.380 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.858 -10.389 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.316 -9.019 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.619 -8.205 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.994 -10.517 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.019 -8.824 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.666 -8.477 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.925 -7.553 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.102 -9.976 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.091 -8.750 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.273 -10.471 1.313 1.00 0.00 H new ATOM 606 N SER A 61 -6.152 -9.583 -3.720 1.00 0.00 N ATOM 607 CA SER A 61 -6.763 -9.103 -4.952 1.00 0.00 C ATOM 608 C SER A 61 -7.840 -10.083 -5.411 1.00 0.00 C ATOM 609 O SER A 61 -8.832 -9.690 -6.022 1.00 0.00 O ATOM 610 CB SER A 61 -5.704 -8.918 -6.047 1.00 0.00 C ATOM 611 OG SER A 61 -6.264 -8.325 -7.209 1.00 0.00 O ATOM 0 H SER A 61 -5.183 -9.886 -3.817 1.00 0.00 H new ATOM 0 HA SER A 61 -7.223 -8.134 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.894 -8.293 -5.671 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.269 -9.884 -6.302 1.00 0.00 H new ATOM 0 HG SER A 61 -5.863 -7.442 -7.351 1.00 0.00 H new ATOM 617 N GLU A 62 -7.630 -11.354 -5.098 1.00 0.00 N ATOM 618 CA GLU A 62 -8.579 -12.409 -5.423 1.00 0.00 C ATOM 619 C GLU A 62 -9.908 -12.172 -4.709 1.00 0.00 C ATOM 620 O GLU A 62 -10.971 -12.159 -5.334 1.00 0.00 O ATOM 621 CB GLU A 62 -7.995 -13.760 -5.008 1.00 0.00 C ATOM 622 CG GLU A 62 -8.800 -14.960 -5.463 1.00 0.00 C ATOM 623 CD GLU A 62 -8.266 -16.256 -4.892 1.00 0.00 C ATOM 624 OE1 GLU A 62 -7.075 -16.566 -5.111 1.00 0.00 O ATOM 625 OE2 GLU A 62 -9.031 -16.969 -4.213 1.00 0.00 O ATOM 0 H GLU A 62 -6.796 -11.683 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.762 -12.405 -6.498 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.985 -13.843 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.910 -13.786 -3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.840 -14.833 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.788 -15.012 -6.552 1.00 0.00 H new ATOM 632 N LEU A 63 -9.838 -11.970 -3.398 1.00 0.00 N ATOM 633 CA LEU A 63 -11.034 -11.750 -2.597 1.00 0.00 C ATOM 634 C LEU A 63 -11.625 -10.370 -2.864 1.00 0.00 C ATOM 635 O LEU A 63 -12.839 -10.189 -2.797 1.00 0.00 O ATOM 636 CB LEU A 63 -10.728 -11.917 -1.108 1.00 0.00 C ATOM 637 CG LEU A 63 -10.274 -13.317 -0.687 1.00 0.00 C ATOM 638 CD1 LEU A 63 -10.062 -13.376 0.816 1.00 0.00 C ATOM 639 CD2 LEU A 63 -11.286 -14.365 -1.126 1.00 0.00 C ATOM 0 H LEU A 63 -8.966 -11.954 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.771 -12.500 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.953 -11.203 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.620 -11.656 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.325 -13.533 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.739 -14.378 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.298 -12.654 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.996 -13.138 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.944 -15.353 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.251 -14.154 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.389 -14.340 -2.211 1.00 0.00 H new ATOM 651 N ALA A 64 -10.768 -9.400 -3.167 1.00 0.00 N ATOM 652 CA ALA A 64 -11.233 -8.067 -3.536 1.00 0.00 C ATOM 653 C ALA A 64 -12.064 -8.141 -4.807 1.00 0.00 C ATOM 654 O ALA A 64 -13.130 -7.533 -4.905 1.00 0.00 O ATOM 655 CB ALA A 64 -10.060 -7.116 -3.721 1.00 0.00 C ATOM 0 H ALA A 64 -9.754 -9.510 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.855 -7.681 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.432 -6.129 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.498 -7.046 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.409 -7.491 -4.510 1.00 0.00 H new ATOM 661 N ASP A 65 -11.572 -8.910 -5.771 1.00 0.00 N ATOM 662 CA ASP A 65 -12.289 -9.152 -7.018 1.00 0.00 C ATOM 663 C ASP A 65 -13.587 -9.906 -6.755 1.00 0.00 C ATOM 664 O ASP A 65 -14.617 -9.629 -7.371 1.00 0.00 O ATOM 665 CB ASP A 65 -11.405 -9.949 -7.982 1.00 0.00 C ATOM 666 CG ASP A 65 -12.141 -10.388 -9.232 1.00 0.00 C ATOM 667 OD1 ASP A 65 -12.294 -9.565 -10.158 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.557 -11.561 -9.295 1.00 0.00 O ATOM 0 H ASP A 65 -10.669 -9.381 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.535 -8.190 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.547 -9.341 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.016 -10.828 -7.468 1.00 0.00 H new ATOM 673 N ALA A 66 -13.531 -10.846 -5.815 1.00 0.00 N ATOM 674 CA ALA A 66 -14.695 -11.642 -5.441 1.00 0.00 C ATOM 675 C ALA A 66 -15.794 -10.772 -4.832 1.00 0.00 C ATOM 676 O ALA A 66 -16.980 -11.085 -4.940 1.00 0.00 O ATOM 677 CB ALA A 66 -14.289 -12.743 -4.472 1.00 0.00 C ATOM 0 H ALA A 66 -12.684 -11.076 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.097 -12.097 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.166 -13.330 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.551 -13.391 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.858 -12.298 -3.575 1.00 0.00 H new ATOM 683 N LYS A 67 -15.396 -9.685 -4.181 1.00 0.00 N ATOM 684 CA LYS A 67 -16.359 -8.743 -3.627 1.00 0.00 C ATOM 685 C LYS A 67 -16.774 -7.730 -4.689 1.00 0.00 C ATOM 686 O LYS A 67 -17.926 -7.296 -4.735 1.00 0.00 O ATOM 687 CB LYS A 67 -15.783 -8.009 -2.411 1.00 0.00 C ATOM 688 CG LYS A 67 -15.298 -8.927 -1.299 1.00 0.00 C ATOM 689 CD LYS A 67 -16.345 -9.963 -0.918 1.00 0.00 C ATOM 690 CE LYS A 67 -15.909 -10.775 0.291 1.00 0.00 C ATOM 691 NZ LYS A 67 -16.782 -11.957 0.513 1.00 0.00 N ATOM 0 H LYS A 67 -14.419 -9.436 -4.025 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.232 -9.310 -3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.952 -7.384 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.545 -7.342 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.387 -9.433 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.042 -8.331 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.290 -9.465 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.522 -10.630 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.880 -11.106 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.924 -10.141 1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.450 -12.482 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.760 -11.641 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.748 -12.576 -0.322 1.00 0.00 H new ATOM 705 N GLY A 68 -15.829 -7.368 -5.543 1.00 0.00 N ATOM 706 CA GLY A 68 -16.102 -6.414 -6.597 1.00 0.00 C ATOM 707 C GLY A 68 -15.415 -5.084 -6.360 1.00 0.00 C ATOM 708 O GLY A 68 -15.941 -4.034 -6.720 1.00 0.00 O ATOM 0 H GLY A 68 -14.872 -7.721 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.773 -6.826 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.178 -6.257 -6.672 1.00 0.00 H new ATOM 712 N GLY A 69 -14.239 -5.132 -5.752 1.00 0.00 N ATOM 713 CA GLY A 69 -13.500 -3.921 -5.472 1.00 0.00 C ATOM 714 C GLY A 69 -12.256 -3.803 -6.324 1.00 0.00 C ATOM 715 O GLY A 69 -11.701 -4.808 -6.766 1.00 0.00 O ATOM 0 H GLY A 69 -13.783 -5.992 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.141 -3.057 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.220 -3.903 -4.419 1.00 0.00 H new ATOM 719 N LYS A 70 -11.817 -2.573 -6.553 1.00 0.00 N ATOM 720 CA LYS A 70 -10.643 -2.320 -7.378 1.00 0.00 C ATOM 721 C LYS A 70 -9.434 -2.021 -6.508 1.00 0.00 C ATOM 722 O LYS A 70 -8.290 -2.153 -6.938 1.00 0.00 O ATOM 723 CB LYS A 70 -10.891 -1.133 -8.306 1.00 0.00 C ATOM 724 CG LYS A 70 -12.042 -1.331 -9.272 1.00 0.00 C ATOM 725 CD LYS A 70 -12.375 -0.034 -9.983 1.00 0.00 C ATOM 726 CE LYS A 70 -13.501 -0.210 -10.984 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.984 1.100 -11.488 1.00 0.00 N ATOM 0 H LYS A 70 -12.257 -1.733 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.451 -3.214 -7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.087 -0.248 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.983 -0.935 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.782 -2.096 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.918 -1.691 -8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.657 0.720 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.488 0.337 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.156 -0.819 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.325 -0.749 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.519 0.957 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.600 1.540 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.171 1.721 -11.674 1.00 0.00 H new ATOM 741 N TYR A 71 -9.696 -1.603 -5.283 1.00 0.00 N ATOM 742 CA TYR A 71 -8.638 -1.199 -4.378 1.00 0.00 C ATOM 743 C TYR A 71 -8.779 -1.935 -3.058 1.00 0.00 C ATOM 744 O TYR A 71 -9.891 -2.251 -2.636 1.00 0.00 O ATOM 745 CB TYR A 71 -8.696 0.313 -4.143 1.00 0.00 C ATOM 746 CG TYR A 71 -8.746 1.132 -5.418 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.605 1.336 -6.184 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.940 1.693 -5.857 1.00 0.00 C ATOM 749 CE1 TYR A 71 -7.652 2.079 -7.350 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.994 2.435 -7.022 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.849 2.624 -7.765 1.00 0.00 C ATOM 752 OH TYR A 71 -8.902 3.365 -8.927 1.00 0.00 O ATOM 0 H TYR A 71 -10.636 -1.535 -4.892 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.675 -1.449 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.574 0.544 -3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.823 0.614 -3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.667 0.908 -5.864 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.840 1.547 -5.278 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.755 2.232 -7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.929 2.865 -7.348 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.820 3.675 -9.076 1.00 0.00 H new ATOM 762 N TYR A 72 -7.660 -2.222 -2.415 1.00 0.00 N ATOM 763 CA TYR A 72 -7.685 -2.863 -1.113 1.00 0.00 C ATOM 764 C TYR A 72 -6.617 -2.266 -0.207 1.00 0.00 C ATOM 765 O TYR A 72 -5.557 -1.848 -0.670 1.00 0.00 O ATOM 766 CB TYR A 72 -7.495 -4.384 -1.239 1.00 0.00 C ATOM 767 CG TYR A 72 -6.103 -4.817 -1.654 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.743 -4.895 -2.994 1.00 0.00 C ATOM 769 CD2 TYR A 72 -5.151 -5.157 -0.701 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.475 -5.300 -3.369 1.00 0.00 C ATOM 771 CE2 TYR A 72 -3.884 -5.558 -1.067 1.00 0.00 C ATOM 772 CZ TYR A 72 -3.550 -5.628 -2.401 1.00 0.00 C ATOM 773 OH TYR A 72 -2.287 -6.036 -2.764 1.00 0.00 O ATOM 0 H TYR A 72 -6.726 -2.022 -2.773 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.663 -2.683 -0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.734 -4.847 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.211 -4.767 -1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.465 -4.635 -3.754 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.409 -5.106 0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.211 -5.359 -4.415 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.157 -5.816 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.761 -6.227 -1.959 1.00 0.00 H new ATOM 783 N HIS A 73 -6.913 -2.202 1.078 1.00 0.00 N ATOM 784 CA HIS A 73 -5.956 -1.714 2.059 1.00 0.00 C ATOM 785 C HIS A 73 -5.697 -2.779 3.114 1.00 0.00 C ATOM 786 O HIS A 73 -6.614 -3.193 3.818 1.00 0.00 O ATOM 787 CB HIS A 73 -6.468 -0.429 2.720 1.00 0.00 C ATOM 788 CG HIS A 73 -5.610 0.047 3.856 1.00 0.00 C ATOM 789 ND1 HIS A 73 -6.102 0.293 5.115 1.00 0.00 N ATOM 790 CD2 HIS A 73 -4.280 0.302 3.918 1.00 0.00 C ATOM 791 CE1 HIS A 73 -5.117 0.675 5.906 1.00 0.00 C ATOM 792 NE2 HIS A 73 -3.996 0.688 5.205 1.00 0.00 N ATOM 0 H HIS A 73 -7.812 -2.483 1.470 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.021 -1.489 1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.528 0.357 1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.480 -0.598 3.087 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.078 0.195 5.395 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.574 0.217 3.105 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.211 0.934 6.950 1.00 0.00 H new ATOM 801 N ILE A 74 -4.452 -3.220 3.217 1.00 0.00 N ATOM 802 CA ILE A 74 -4.079 -4.218 4.207 1.00 0.00 C ATOM 803 C ILE A 74 -4.074 -3.608 5.605 1.00 0.00 C ATOM 804 O ILE A 74 -3.288 -2.701 5.898 1.00 0.00 O ATOM 805 CB ILE A 74 -2.687 -4.815 3.909 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.628 -5.329 2.468 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.369 -5.937 4.891 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.265 -5.851 2.060 1.00 0.00 C ATOM 0 H ILE A 74 -3.683 -2.902 2.627 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.819 -5.016 4.158 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.938 -4.032 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.363 -6.125 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.915 -4.523 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.384 -6.348 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.376 -5.544 5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.119 -6.723 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.302 -6.197 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.528 -5.053 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.983 -6.679 2.710 1.00 0.00 H new ATOM 820 N ILE A 75 -4.968 -4.089 6.457 1.00 0.00 N ATOM 821 CA ILE A 75 -5.038 -3.614 7.830 1.00 0.00 C ATOM 822 C ILE A 75 -4.497 -4.660 8.788 1.00 0.00 C ATOM 823 O ILE A 75 -4.291 -4.385 9.970 1.00 0.00 O ATOM 824 CB ILE A 75 -6.476 -3.240 8.245 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.434 -4.415 8.024 1.00 0.00 C ATOM 826 CG2 ILE A 75 -6.936 -2.018 7.476 1.00 0.00 C ATOM 827 CD1 ILE A 75 -8.856 -4.131 8.462 1.00 0.00 C ATOM 0 H ILE A 75 -5.654 -4.807 6.222 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.424 -2.715 7.881 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.480 -3.005 9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.435 -4.678 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.062 -5.283 8.568 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.952 -1.761 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.272 -1.181 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.916 -2.232 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.476 -5.008 8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.869 -3.898 9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.247 -3.283 7.900 1.00 0.00 H new ATOM 839 N ALA A 76 -4.272 -5.862 8.277 1.00 0.00 N ATOM 840 CA ALA A 76 -3.714 -6.935 9.078 1.00 0.00 C ATOM 841 C ALA A 76 -3.012 -7.965 8.206 1.00 0.00 C ATOM 842 O ALA A 76 -3.651 -8.700 7.461 1.00 0.00 O ATOM 843 CB ALA A 76 -4.801 -7.598 9.911 1.00 0.00 C ATOM 0 H ALA A 76 -4.469 -6.116 7.309 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.973 -6.501 9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.365 -8.401 10.506 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.253 -6.860 10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.565 -8.009 9.251 1.00 0.00 H new ATOM 849 N ALA A 77 -1.696 -7.989 8.290 1.00 0.00 N ATOM 850 CA ALA A 77 -0.904 -9.026 7.653 1.00 0.00 C ATOM 851 C ALA A 77 -0.134 -9.760 8.733 1.00 0.00 C ATOM 852 O ALA A 77 1.081 -9.615 8.871 1.00 0.00 O ATOM 853 CB ALA A 77 0.036 -8.445 6.607 1.00 0.00 C ATOM 0 H ALA A 77 -1.147 -7.295 8.798 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.561 -9.719 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.613 -9.249 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.545 -7.934 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.714 -7.735 7.081 1.00 0.00 H new ATOM 859 N ARG A 78 -0.869 -10.523 9.518 1.00 0.00 N ATOM 860 CA ARG A 78 -0.345 -11.086 10.747 1.00 0.00 C ATOM 861 C ARG A 78 -0.544 -12.587 10.793 1.00 0.00 C ATOM 862 O ARG A 78 -1.210 -13.164 9.937 1.00 0.00 O ATOM 863 CB ARG A 78 -1.031 -10.415 11.941 1.00 0.00 C ATOM 864 CG ARG A 78 -2.529 -10.223 11.748 1.00 0.00 C ATOM 865 CD ARG A 78 -3.100 -9.216 12.734 1.00 0.00 C ATOM 866 NE ARG A 78 -3.426 -9.812 14.027 1.00 0.00 N ATOM 867 CZ ARG A 78 -2.883 -9.433 15.185 1.00 0.00 C ATOM 868 NH1 ARG A 78 -1.886 -8.555 15.206 1.00 0.00 N ATOM 869 NH2 ARG A 78 -3.330 -9.943 16.324 1.00 0.00 N ATOM 0 H ARG A 78 -1.840 -10.769 9.324 1.00 0.00 H new ATOM 0 HA ARG A 78 0.728 -10.898 10.790 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.861 -11.017 12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.568 -9.444 12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.724 -9.886 10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.037 -11.180 11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.380 -8.411 12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.998 -8.767 12.309 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.113 -10.566 14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.531 -8.166 14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.476 -8.270 16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.089 -10.625 16.315 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.915 -9.654 17.210 1.00 0.00 H new ATOM 883 N GLU A 79 0.044 -13.212 11.792 1.00 0.00 N ATOM 884 CA GLU A 79 -0.055 -14.645 11.963 1.00 0.00 C ATOM 885 C GLU A 79 -0.783 -14.968 13.258 1.00 0.00 C ATOM 886 O GLU A 79 -0.601 -14.288 14.270 1.00 0.00 O ATOM 887 CB GLU A 79 1.339 -15.269 11.970 1.00 0.00 C ATOM 888 CG GLU A 79 2.086 -15.087 10.662 1.00 0.00 C ATOM 889 CD GLU A 79 3.532 -15.511 10.755 1.00 0.00 C ATOM 890 OE1 GLU A 79 3.798 -16.724 10.832 1.00 0.00 O ATOM 891 OE2 GLU A 79 4.415 -14.627 10.750 1.00 0.00 O ATOM 0 H GLU A 79 0.602 -12.742 12.505 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.622 -15.062 11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.923 -14.828 12.778 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.251 -16.334 12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.591 -15.665 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.037 -14.040 10.362 1.00 0.00 H new ATOM 898 N HIS A 80 -1.612 -15.993 13.215 1.00 0.00 N ATOM 899 CA HIS A 80 -2.368 -16.418 14.379 1.00 0.00 C ATOM 900 C HIS A 80 -1.897 -17.802 14.803 1.00 0.00 C ATOM 901 O HIS A 80 -2.540 -18.815 14.504 1.00 0.00 O ATOM 902 CB HIS A 80 -3.869 -16.417 14.067 1.00 0.00 C ATOM 903 CG HIS A 80 -4.750 -16.577 15.269 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.973 -15.561 16.171 1.00 0.00 N ATOM 905 CD2 HIS A 80 -5.474 -17.632 15.708 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.795 -15.983 17.111 1.00 0.00 C ATOM 907 NE2 HIS A 80 -6.115 -17.236 16.854 1.00 0.00 N ATOM 0 H HIS A 80 -1.780 -16.552 12.379 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.200 -15.722 15.201 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.123 -15.483 13.567 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.083 -17.223 13.365 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.536 -18.605 15.243 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.147 -15.401 17.950 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.738 -17.816 17.416 1.00 0.00 H new ATOM 916 N GLY A 81 -0.752 -17.840 15.466 1.00 0.00 N ATOM 917 CA GLY A 81 -0.128 -19.098 15.804 1.00 0.00 C ATOM 918 C GLY A 81 0.533 -19.712 14.588 1.00 0.00 C ATOM 919 O GLY A 81 1.426 -19.103 13.999 1.00 0.00 O ATOM 0 H GLY A 81 -0.241 -17.014 15.778 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.614 -18.943 16.588 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.875 -19.784 16.203 1.00 0.00 H new ATOM 923 N PRO A 82 0.115 -20.916 14.186 1.00 0.00 N ATOM 924 CA PRO A 82 0.571 -21.544 12.952 1.00 0.00 C ATOM 925 C PRO A 82 -0.231 -21.068 11.741 1.00 0.00 C ATOM 926 O PRO A 82 0.013 -21.491 10.609 1.00 0.00 O ATOM 927 CB PRO A 82 0.329 -23.044 13.194 1.00 0.00 C ATOM 928 CG PRO A 82 -0.281 -23.156 14.560 1.00 0.00 C ATOM 929 CD PRO A 82 -0.804 -21.793 14.912 1.00 0.00 C ATOM 0 HA PRO A 82 1.610 -21.301 12.731 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.336 -23.458 12.436 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.263 -23.603 13.138 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.085 -23.892 14.566 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.459 -23.487 15.289 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.837 -21.657 14.591 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.778 -21.611 15.986 1.00 0.00 H new ATOM 937 N ASN A 83 -1.194 -20.188 11.986 1.00 0.00 N ATOM 938 CA ASN A 83 -2.053 -19.685 10.924 1.00 0.00 C ATOM 939 C ASN A 83 -1.617 -18.297 10.499 1.00 0.00 C ATOM 940 O ASN A 83 -0.789 -17.665 11.151 1.00 0.00 O ATOM 941 CB ASN A 83 -3.520 -19.629 11.362 1.00 0.00 C ATOM 942 CG ASN A 83 -4.066 -20.957 11.849 1.00 0.00 C ATOM 943 OD1 ASN A 83 -3.580 -22.026 11.481 1.00 0.00 O ATOM 944 ND2 ASN A 83 -5.107 -20.890 12.661 1.00 0.00 N ATOM 0 H ASN A 83 -1.399 -19.809 12.910 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.962 -20.376 10.086 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.624 -18.891 12.157 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.126 -19.283 10.525 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.539 -21.746 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.478 -19.982 12.941 1.00 0.00 H new ATOM 951 N PHE A 84 -2.196 -17.820 9.412 1.00 0.00 N ATOM 952 CA PHE A 84 -1.932 -16.488 8.909 1.00 0.00 C ATOM 953 C PHE A 84 -3.257 -15.776 8.672 1.00 0.00 C ATOM 954 O PHE A 84 -4.161 -16.340 8.066 1.00 0.00 O ATOM 955 CB PHE A 84 -1.130 -16.567 7.604 1.00 0.00 C ATOM 956 CG PHE A 84 -0.647 -15.237 7.104 1.00 0.00 C ATOM 957 CD1 PHE A 84 0.582 -14.743 7.501 1.00 0.00 C ATOM 958 CD2 PHE A 84 -1.422 -14.480 6.238 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.036 -13.522 7.049 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.973 -13.255 5.782 1.00 0.00 C ATOM 961 CZ PHE A 84 0.257 -12.777 6.186 1.00 0.00 C ATOM 0 H PHE A 84 -2.865 -18.349 8.853 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.346 -15.930 9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.271 -17.220 7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.750 -17.029 6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.195 -15.322 8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.384 -14.851 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.998 -13.150 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.585 -12.672 5.110 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.610 -11.821 5.828 1.00 0.00 H new ATOM 971 N GLU A 85 -3.371 -14.550 9.152 1.00 0.00 N ATOM 972 CA GLU A 85 -4.606 -13.794 9.011 1.00 0.00 C ATOM 973 C GLU A 85 -4.353 -12.546 8.176 1.00 0.00 C ATOM 974 O GLU A 85 -3.702 -11.603 8.634 1.00 0.00 O ATOM 975 CB GLU A 85 -5.151 -13.390 10.384 1.00 0.00 C ATOM 976 CG GLU A 85 -5.447 -14.558 11.314 1.00 0.00 C ATOM 977 CD GLU A 85 -6.669 -15.356 10.899 1.00 0.00 C ATOM 978 OE1 GLU A 85 -7.787 -14.798 10.941 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.526 -16.551 10.566 1.00 0.00 O ATOM 0 H GLU A 85 -2.625 -14.056 9.642 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.343 -14.424 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.430 -12.731 10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.065 -12.814 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.581 -15.220 11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.594 -14.180 12.326 1.00 0.00 H new ATOM 986 N ALA A 86 -4.855 -12.548 6.952 1.00 0.00 N ATOM 987 CA ALA A 86 -4.702 -11.400 6.072 1.00 0.00 C ATOM 988 C ALA A 86 -6.016 -10.646 5.950 1.00 0.00 C ATOM 989 O ALA A 86 -6.923 -11.072 5.240 1.00 0.00 O ATOM 990 CB ALA A 86 -4.210 -11.834 4.700 1.00 0.00 C ATOM 0 H ALA A 86 -5.370 -13.329 6.546 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.957 -10.733 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.103 -10.959 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.245 -12.331 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.929 -12.523 4.257 1.00 0.00 H new ATOM 996 N VAL A 87 -6.110 -9.526 6.642 1.00 0.00 N ATOM 997 CA VAL A 87 -7.330 -8.735 6.649 1.00 0.00 C ATOM 998 C VAL A 87 -7.123 -7.446 5.860 1.00 0.00 C ATOM 999 O VAL A 87 -6.173 -6.697 6.113 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.779 -8.393 8.088 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -9.171 -7.780 8.090 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.738 -9.627 8.976 1.00 0.00 C ATOM 0 H VAL A 87 -5.354 -9.141 7.209 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.113 -9.332 6.181 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.082 -7.659 8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.465 -7.548 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.167 -6.865 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.881 -8.487 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.058 -9.361 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.406 -10.388 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.721 -10.017 9.010 1.00 0.00 H new ATOM 1012 N ALA A 88 -8.001 -7.194 4.907 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.886 -6.021 4.063 1.00 0.00 C ATOM 1014 C ALA A 88 -9.236 -5.350 3.869 1.00 0.00 C ATOM 1015 O ALA A 88 -10.285 -5.975 4.027 1.00 0.00 O ATOM 1016 CB ALA A 88 -7.277 -6.395 2.717 1.00 0.00 C ATOM 0 H ALA A 88 -8.803 -7.788 4.698 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.227 -5.309 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.197 -5.504 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.285 -6.820 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.913 -7.129 2.221 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.201 -4.075 3.523 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.412 -3.314 3.277 1.00 0.00 C ATOM 1024 C GLU A 89 -10.634 -3.178 1.782 1.00 0.00 C ATOM 1025 O GLU A 89 -9.761 -2.702 1.062 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.300 -1.918 3.890 1.00 0.00 C ATOM 1027 CG GLU A 89 -9.971 -1.915 5.370 1.00 0.00 C ATOM 1028 CD GLU A 89 -9.763 -0.515 5.909 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -8.648 0.032 5.752 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -10.704 0.047 6.496 1.00 0.00 O ATOM 0 H GLU A 89 -8.339 -3.542 3.406 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.250 -3.841 3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.530 -1.360 3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.241 -1.389 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.778 -2.398 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.071 -2.505 5.541 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.799 -3.601 1.321 1.00 0.00 N ATOM 1038 CA VAL A 90 -12.126 -3.538 -0.093 1.00 0.00 C ATOM 1039 C VAL A 90 -12.743 -2.188 -0.429 1.00 0.00 C ATOM 1040 O VAL A 90 -13.735 -1.784 0.180 1.00 0.00 O ATOM 1041 CB VAL A 90 -13.104 -4.663 -0.492 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -13.386 -4.638 -1.987 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.556 -6.018 -0.075 1.00 0.00 C ATOM 0 H VAL A 90 -12.536 -3.993 1.907 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.201 -3.668 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.045 -4.493 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -14.078 -5.441 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.828 -3.679 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.454 -4.776 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.259 -6.799 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.599 -6.190 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.417 -6.037 1.006 1.00 0.00 H new ATOM 1053 N TYR A 91 -12.149 -1.492 -1.385 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.617 -0.173 -1.771 1.00 0.00 C ATOM 1055 C TYR A 91 -13.023 -0.121 -3.242 1.00 0.00 C ATOM 1056 O TYR A 91 -12.398 -0.738 -4.110 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.555 0.888 -1.472 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.512 1.296 -0.015 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.343 2.303 0.460 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.655 0.676 0.885 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.322 2.680 1.787 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -10.628 1.050 2.217 1.00 0.00 C ATOM 1063 CZ TYR A 91 -11.466 2.052 2.662 1.00 0.00 C ATOM 1064 OH TYR A 91 -11.449 2.426 3.987 1.00 0.00 O ATOM 0 H TYR A 91 -11.338 -1.821 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.505 0.042 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.577 0.506 -1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.749 1.769 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.018 2.800 -0.222 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.000 -0.110 0.540 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.975 3.465 2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.955 0.560 2.905 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.790 1.885 4.471 1.00 0.00 H new ATOM 1074 N ASN A 92 -14.086 0.621 -3.487 1.00 0.00 N ATOM 1075 CA ASN A 92 -14.627 0.830 -4.818 1.00 0.00 C ATOM 1076 C ASN A 92 -14.498 2.310 -5.157 1.00 0.00 C ATOM 1077 O ASN A 92 -14.296 3.134 -4.260 1.00 0.00 O ATOM 1078 CB ASN A 92 -16.102 0.404 -4.834 1.00 0.00 C ATOM 1079 CG ASN A 92 -16.665 0.189 -6.225 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -17.838 0.460 -6.475 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.856 -0.347 -7.123 1.00 0.00 N ATOM 0 H ASN A 92 -14.607 1.104 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.085 0.238 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.210 -0.518 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.695 1.165 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.199 -0.550 -8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.889 -0.557 -6.877 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.597 2.659 -6.428 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.476 4.052 -6.827 1.00 0.00 C ATOM 1090 C ASP A 93 -15.852 4.705 -6.904 1.00 0.00 C ATOM 1091 O ASP A 93 -16.861 4.030 -7.115 1.00 0.00 O ATOM 1092 CB ASP A 93 -13.725 4.183 -8.158 1.00 0.00 C ATOM 1093 CG ASP A 93 -14.453 3.554 -9.329 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -14.746 2.342 -9.277 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -14.720 4.272 -10.314 1.00 0.00 O ATOM 0 H ASP A 93 -14.759 2.006 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.892 4.575 -6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.558 5.239 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.744 3.719 -8.059 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.883 6.022 -6.743 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.136 6.767 -6.628 1.00 0.00 C ATOM 1102 C ALA A 94 -17.796 7.002 -7.986 1.00 0.00 C ATOM 1103 O ALA A 94 -18.587 7.931 -8.151 1.00 0.00 O ATOM 1104 CB ALA A 94 -16.882 8.095 -5.932 1.00 0.00 C ATOM 0 H ALA A 94 -15.047 6.603 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.825 6.165 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.818 8.647 -5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.478 7.912 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.167 8.679 -6.512 1.00 0.00 H new ATOM 1290 N ALA B 22 8.264 0.326 -8.234 1.00 0.00 N ATOM 1291 CA ALA B 22 8.325 -0.181 -6.848 1.00 0.00 C ATOM 1292 C ALA B 22 6.936 -0.591 -6.380 1.00 0.00 C ATOM 1293 O ALA B 22 5.932 -0.124 -6.918 1.00 0.00 O ATOM 1294 CB ALA B 22 8.917 0.871 -5.925 1.00 0.00 C ATOM 0 HA ALA B 22 8.971 -1.058 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA B 22 8.955 0.482 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA B 22 9.925 1.120 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.296 1.766 -5.948 1.00 0.00 H new ATOM 1302 N GLU B 23 6.883 -1.453 -5.375 1.00 0.00 N ATOM 1303 CA GLU B 23 5.619 -1.981 -4.886 1.00 0.00 C ATOM 1304 C GLU B 23 5.142 -1.217 -3.654 1.00 0.00 C ATOM 1305 O GLU B 23 5.940 -0.823 -2.801 1.00 0.00 O ATOM 1306 CB GLU B 23 5.767 -3.465 -4.538 1.00 0.00 C ATOM 1307 CG GLU B 23 6.235 -4.323 -5.701 1.00 0.00 C ATOM 1308 CD GLU B 23 6.326 -5.791 -5.340 1.00 0.00 C ATOM 1309 OE1 GLU B 23 5.303 -6.499 -5.455 1.00 0.00 O ATOM 1310 OE2 GLU B 23 7.419 -6.246 -4.941 1.00 0.00 O ATOM 0 H GLU B 23 7.704 -1.802 -4.881 1.00 0.00 H new ATOM 0 HA GLU B 23 4.879 -1.862 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.475 -3.567 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.808 -3.843 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU B 23 5.548 -4.200 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.212 -3.973 -6.036 1.00 0.00 H new ATOM 1317 N GLN B 24 3.834 -1.000 -3.584 1.00 0.00 N ATOM 1318 CA GLN B 24 3.209 -0.401 -2.414 1.00 0.00 C ATOM 1319 C GLN B 24 3.099 -1.448 -1.313 1.00 0.00 C ATOM 1320 O GLN B 24 2.495 -2.502 -1.517 1.00 0.00 O ATOM 1321 CB GLN B 24 1.812 0.125 -2.770 1.00 0.00 C ATOM 1322 CG GLN B 24 1.067 0.755 -1.600 1.00 0.00 C ATOM 1323 CD GLN B 24 1.518 2.171 -1.302 1.00 0.00 C ATOM 1324 OE1 GLN B 24 2.441 2.399 -0.517 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.856 3.136 -1.920 1.00 0.00 N ATOM 0 H GLN B 24 3.181 -1.233 -4.332 1.00 0.00 H new ATOM 0 HA GLN B 24 3.819 0.433 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN B 24 1.906 0.863 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.216 -0.697 -3.166 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -0.001 0.758 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN B 24 1.210 0.140 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN B 24 0.098 2.904 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN B 24 1.104 4.111 -1.754 1.00 0.00 H new ATOM 1334 N VAL B 25 3.695 -1.173 -0.166 1.00 0.00 N ATOM 1335 CA VAL B 25 3.664 -2.117 0.942 1.00 0.00 C ATOM 1336 C VAL B 25 3.042 -1.491 2.184 1.00 0.00 C ATOM 1337 O VAL B 25 3.227 -0.304 2.457 1.00 0.00 O ATOM 1338 CB VAL B 25 5.077 -2.647 1.283 1.00 0.00 C ATOM 1339 CG1 VAL B 25 5.631 -3.473 0.133 1.00 0.00 C ATOM 1340 CG2 VAL B 25 6.026 -1.506 1.621 1.00 0.00 C ATOM 0 H VAL B 25 4.204 -0.310 0.024 1.00 0.00 H new ATOM 0 HA VAL B 25 3.048 -2.956 0.620 1.00 0.00 H new ATOM 0 HB VAL B 25 4.990 -3.286 2.162 1.00 0.00 H new ATOM 0 HG11 VAL B 25 6.625 -3.837 0.392 1.00 0.00 H new ATOM 0 HG12 VAL B 25 4.973 -4.321 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL B 25 5.693 -2.855 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL B 25 7.011 -1.909 1.856 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.104 -0.833 0.767 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.644 -0.958 2.482 1.00 0.00 H new ATOM 1350 N SER B 26 2.284 -2.290 2.918 1.00 0.00 N ATOM 1351 CA SER B 26 1.705 -1.856 4.177 1.00 0.00 C ATOM 1352 C SER B 26 2.733 -1.953 5.305 1.00 0.00 C ATOM 1353 O SER B 26 3.814 -2.522 5.131 1.00 0.00 O ATOM 1354 CB SER B 26 0.470 -2.695 4.512 1.00 0.00 C ATOM 1355 OG SER B 26 -0.578 -2.455 3.591 1.00 0.00 O ATOM 0 H SER B 26 2.055 -3.250 2.660 1.00 0.00 H new ATOM 0 HA SER B 26 1.403 -0.814 4.074 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.732 -3.753 4.501 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.131 -2.461 5.521 1.00 0.00 H new ATOM 0 HG SER B 26 -0.215 -2.434 2.681 1.00 0.00 H new ATOM 1361 N LYS B 27 2.389 -1.405 6.467 1.00 0.00 N ATOM 1362 CA LYS B 27 3.298 -1.404 7.609 1.00 0.00 C ATOM 1363 C LYS B 27 3.565 -2.829 8.080 1.00 0.00 C ATOM 1364 O LYS B 27 4.690 -3.179 8.445 1.00 0.00 O ATOM 1365 CB LYS B 27 2.711 -0.574 8.754 1.00 0.00 C ATOM 1366 CG LYS B 27 3.634 -0.462 9.960 1.00 0.00 C ATOM 1367 CD LYS B 27 2.994 0.335 11.085 1.00 0.00 C ATOM 1368 CE LYS B 27 2.702 1.768 10.665 1.00 0.00 C ATOM 1369 NZ LYS B 27 2.062 2.545 11.757 1.00 0.00 N ATOM 0 H LYS B 27 1.490 -0.957 6.642 1.00 0.00 H new ATOM 0 HA LYS B 27 4.242 -0.957 7.297 1.00 0.00 H new ATOM 0 HB2 LYS B 27 2.483 0.427 8.387 1.00 0.00 H new ATOM 0 HB3 LYS B 27 1.768 -1.020 9.069 1.00 0.00 H new ATOM 0 HG2 LYS B 27 3.887 -1.460 10.319 1.00 0.00 H new ATOM 0 HG3 LYS B 27 4.567 0.015 9.661 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.068 -0.150 11.393 1.00 0.00 H new ATOM 0 HD3 LYS B 27 3.656 0.337 11.951 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.630 2.256 10.368 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.050 1.765 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 1.879 3.516 11.431 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 1.163 2.094 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 2.695 2.570 12.582 1.00 0.00 H new ATOM 1383 N GLN B 28 2.529 -3.657 8.035 1.00 0.00 N ATOM 1384 CA GLN B 28 2.633 -5.040 8.476 1.00 0.00 C ATOM 1385 C GLN B 28 3.308 -5.918 7.427 1.00 0.00 C ATOM 1386 O GLN B 28 3.469 -7.115 7.627 1.00 0.00 O ATOM 1387 CB GLN B 28 1.254 -5.590 8.834 1.00 0.00 C ATOM 1388 CG GLN B 28 0.787 -5.167 10.217 1.00 0.00 C ATOM 1389 CD GLN B 28 -0.646 -5.563 10.496 1.00 0.00 C ATOM 1390 OE1 GLN B 28 -0.921 -6.669 10.961 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -1.567 -4.657 10.228 1.00 0.00 N ATOM 0 H GLN B 28 1.604 -3.392 7.696 1.00 0.00 H new ATOM 0 HA GLN B 28 3.260 -5.057 9.367 1.00 0.00 H new ATOM 0 HB2 GLN B 28 0.530 -5.251 8.093 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.278 -6.678 8.782 1.00 0.00 H new ATOM 0 HG2 GLN B 28 1.437 -5.616 10.968 1.00 0.00 H new ATOM 0 HG3 GLN B 28 0.886 -4.086 10.315 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.296 -3.752 9.843 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -2.550 -4.861 10.406 1.00 0.00 H new ATOM 1400 N GLU B 29 3.697 -5.321 6.309 1.00 0.00 N ATOM 1401 CA GLU B 29 4.517 -6.016 5.328 1.00 0.00 C ATOM 1402 C GLU B 29 5.985 -5.786 5.652 1.00 0.00 C ATOM 1403 O GLU B 29 6.762 -6.729 5.807 1.00 0.00 O ATOM 1404 CB GLU B 29 4.230 -5.520 3.911 1.00 0.00 C ATOM 1405 CG GLU B 29 2.836 -5.839 3.404 1.00 0.00 C ATOM 1406 CD GLU B 29 2.662 -5.439 1.955 1.00 0.00 C ATOM 1407 OE1 GLU B 29 3.463 -5.895 1.117 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.744 -4.650 1.648 1.00 0.00 O ATOM 0 H GLU B 29 3.459 -4.361 6.060 1.00 0.00 H new ATOM 0 HA GLU B 29 4.278 -7.079 5.372 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.376 -4.440 3.881 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.960 -5.959 3.231 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.645 -6.907 3.512 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.099 -5.320 4.016 1.00 0.00 H new ATOM 1415 N ILE B 30 6.332 -4.510 5.782 1.00 0.00 N ATOM 1416 CA ILE B 30 7.698 -4.080 6.060 1.00 0.00 C ATOM 1417 C ILE B 30 8.281 -4.796 7.275 1.00 0.00 C ATOM 1418 O ILE B 30 9.359 -5.385 7.205 1.00 0.00 O ATOM 1419 CB ILE B 30 7.744 -2.559 6.312 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.140 -1.807 5.124 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.174 -2.101 6.568 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.967 -0.324 5.365 1.00 0.00 C ATOM 0 H ILE B 30 5.669 -3.740 5.697 1.00 0.00 H new ATOM 0 HA ILE B 30 8.295 -4.333 5.184 1.00 0.00 H new ATOM 0 HB ILE B 30 7.152 -2.336 7.200 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.778 -1.952 4.252 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.170 -2.243 4.885 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.186 -1.025 6.744 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.570 -2.616 7.443 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.791 -2.334 5.700 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.534 0.141 4.479 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.305 -0.169 6.217 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.937 0.126 5.573 1.00 0.00 H new ATOM 1434 N SER B 31 7.550 -4.759 8.378 1.00 0.00 N ATOM 1435 CA SER B 31 8.042 -5.295 9.638 1.00 0.00 C ATOM 1436 C SER B 31 7.910 -6.820 9.682 1.00 0.00 C ATOM 1437 O SER B 31 8.532 -7.481 10.511 1.00 0.00 O ATOM 1438 CB SER B 31 7.276 -4.655 10.800 1.00 0.00 C ATOM 1439 OG SER B 31 7.883 -4.939 12.048 1.00 0.00 O ATOM 0 H SER B 31 6.612 -4.362 8.426 1.00 0.00 H new ATOM 0 HA SER B 31 9.101 -5.055 9.728 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.230 -3.576 10.655 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.249 -5.020 10.804 1.00 0.00 H new ATOM 0 HG SER B 31 7.369 -4.514 12.766 1.00 0.00 H new ATOM 1445 N HIS B 32 7.119 -7.383 8.776 1.00 0.00 N ATOM 1446 CA HIS B 32 6.885 -8.825 8.774 1.00 0.00 C ATOM 1447 C HIS B 32 7.928 -9.542 7.925 1.00 0.00 C ATOM 1448 O HIS B 32 8.445 -10.587 8.315 1.00 0.00 O ATOM 1449 CB HIS B 32 5.479 -9.141 8.259 1.00 0.00 C ATOM 1450 CG HIS B 32 5.074 -10.574 8.434 1.00 0.00 C ATOM 1451 ND1 HIS B 32 4.747 -11.400 7.380 1.00 0.00 N ATOM 1452 CD2 HIS B 32 4.928 -11.320 9.554 1.00 0.00 C ATOM 1453 CE1 HIS B 32 4.419 -12.591 7.845 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.521 -12.569 9.160 1.00 0.00 N ATOM 0 H HIS B 32 6.633 -6.871 8.040 1.00 0.00 H new ATOM 0 HA HIS B 32 6.970 -9.182 9.800 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.762 -8.505 8.778 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.425 -8.885 7.201 1.00 0.00 H new ATOM 0 HD2 HIS B 32 5.100 -10.993 10.569 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.118 -13.440 7.249 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.328 -13.354 9.783 1.00 0.00 H new ATOM 1463 N PHE B 33 8.228 -8.978 6.762 1.00 0.00 N ATOM 1464 CA PHE B 33 9.211 -9.570 5.862 1.00 0.00 C ATOM 1465 C PHE B 33 10.597 -8.996 6.132 1.00 0.00 C ATOM 1466 O PHE B 33 11.590 -9.466 5.578 1.00 0.00 O ATOM 1467 CB PHE B 33 8.812 -9.336 4.402 1.00 0.00 C ATOM 1468 CG PHE B 33 7.501 -9.971 4.029 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.410 -11.338 3.830 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.361 -9.199 3.878 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.207 -11.924 3.489 1.00 0.00 C ATOM 1472 CE2 PHE B 33 5.154 -9.778 3.537 1.00 0.00 C ATOM 1473 CZ PHE B 33 5.078 -11.144 3.341 1.00 0.00 C ATOM 0 H PHE B 33 7.807 -8.114 6.420 1.00 0.00 H new ATOM 0 HA PHE B 33 9.240 -10.644 6.045 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.753 -8.263 4.217 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.594 -9.728 3.752 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.290 -11.953 3.943 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.416 -8.131 4.029 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.150 -12.992 3.338 1.00 0.00 H new ATOM 0 HE2 PHE B 33 4.272 -9.165 3.424 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.137 -11.600 3.072 1.00 0.00 H new ATOM 1483 N LYS B 34 10.640 -7.979 6.994 1.00 0.00 N ATOM 1484 CA LYS B 34 11.885 -7.322 7.387 1.00 0.00 C ATOM 1485 C LYS B 34 12.540 -6.639 6.194 1.00 0.00 C ATOM 1486 O LYS B 34 13.422 -7.199 5.540 1.00 0.00 O ATOM 1487 CB LYS B 34 12.852 -8.313 8.045 1.00 0.00 C ATOM 1488 CG LYS B 34 12.317 -8.917 9.334 1.00 0.00 C ATOM 1489 CD LYS B 34 12.135 -7.860 10.410 1.00 0.00 C ATOM 1490 CE LYS B 34 11.508 -8.440 11.667 1.00 0.00 C ATOM 1491 NZ LYS B 34 12.309 -9.560 12.231 1.00 0.00 N ATOM 0 H LYS B 34 9.810 -7.588 7.440 1.00 0.00 H new ATOM 0 HA LYS B 34 11.638 -6.557 8.123 1.00 0.00 H new ATOM 0 HB2 LYS B 34 13.072 -9.115 7.341 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.794 -7.805 8.254 1.00 0.00 H new ATOM 0 HG2 LYS B 34 11.363 -9.407 9.139 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.004 -9.685 9.690 1.00 0.00 H new ATOM 0 HD2 LYS B 34 13.102 -7.420 10.655 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.507 -7.056 10.028 1.00 0.00 H new ATOM 0 HE2 LYS B 34 11.407 -7.655 12.416 1.00 0.00 H new ATOM 0 HE3 LYS B 34 10.503 -8.794 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 11.941 -9.811 13.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 12.244 -10.385 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 13.303 -9.267 12.316 1.00 0.00 H new ATOM 1505 N LEU B 35 12.080 -5.434 5.902 1.00 0.00 N ATOM 1506 CA LEU B 35 12.615 -4.664 4.794 1.00 0.00 C ATOM 1507 C LEU B 35 13.675 -3.690 5.291 1.00 0.00 C ATOM 1508 O LEU B 35 13.582 -3.169 6.404 1.00 0.00 O ATOM 1509 CB LEU B 35 11.495 -3.912 4.074 1.00 0.00 C ATOM 1510 CG LEU B 35 10.385 -4.795 3.497 1.00 0.00 C ATOM 1511 CD1 LEU B 35 9.325 -3.938 2.823 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.962 -5.805 2.516 1.00 0.00 C ATOM 0 H LEU B 35 11.335 -4.967 6.419 1.00 0.00 H new ATOM 0 HA LEU B 35 13.078 -5.351 4.086 1.00 0.00 H new ATOM 0 HB2 LEU B 35 11.048 -3.203 4.771 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.933 -3.329 3.263 1.00 0.00 H new ATOM 0 HG LEU B 35 9.917 -5.343 4.315 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.542 -4.579 2.418 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.892 -3.254 3.553 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.780 -3.365 2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 35 10.159 -6.424 2.116 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.455 -5.278 1.699 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.686 -6.438 3.029 1.00 0.00 H new ATOM 1524 N VAL B 36 14.681 -3.459 4.464 1.00 0.00 N ATOM 1525 CA VAL B 36 15.800 -2.602 4.824 1.00 0.00 C ATOM 1526 C VAL B 36 15.635 -1.222 4.196 1.00 0.00 C ATOM 1527 O VAL B 36 15.765 -1.068 2.982 1.00 0.00 O ATOM 1528 CB VAL B 36 17.133 -3.229 4.359 1.00 0.00 C ATOM 1529 CG1 VAL B 36 18.320 -2.362 4.746 1.00 0.00 C ATOM 1530 CG2 VAL B 36 17.288 -4.630 4.930 1.00 0.00 C ATOM 0 H VAL B 36 14.746 -3.858 3.528 1.00 0.00 H new ATOM 0 HA VAL B 36 15.816 -2.500 5.909 1.00 0.00 H new ATOM 0 HB VAL B 36 17.110 -3.293 3.271 1.00 0.00 H new ATOM 0 HG11 VAL B 36 19.241 -2.833 4.404 1.00 0.00 H new ATOM 0 HG12 VAL B 36 18.220 -1.380 4.283 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.351 -2.250 5.830 1.00 0.00 H new ATOM 0 HG21 VAL B 36 18.232 -5.058 4.593 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.279 -4.582 6.019 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.464 -5.256 4.588 1.00 0.00 H new ATOM 1540 N LYS B 37 15.338 -0.227 5.022 1.00 0.00 N ATOM 1541 CA LYS B 37 15.069 1.122 4.534 1.00 0.00 C ATOM 1542 C LYS B 37 16.310 1.743 3.896 1.00 0.00 C ATOM 1543 O LYS B 37 17.399 1.719 4.470 1.00 0.00 O ATOM 1544 CB LYS B 37 14.559 2.016 5.670 1.00 0.00 C ATOM 1545 CG LYS B 37 14.132 3.400 5.208 1.00 0.00 C ATOM 1546 CD LYS B 37 13.518 4.212 6.335 1.00 0.00 C ATOM 1547 CE LYS B 37 13.103 5.589 5.850 1.00 0.00 C ATOM 1548 NZ LYS B 37 12.470 6.401 6.922 1.00 0.00 N ATOM 0 H LYS B 37 15.277 -0.328 6.035 1.00 0.00 H new ATOM 0 HA LYS B 37 14.296 1.046 3.769 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.714 1.527 6.155 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.342 2.118 6.421 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.996 3.931 4.808 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.412 3.305 4.396 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.651 3.687 6.736 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.235 4.310 7.150 1.00 0.00 H new ATOM 0 HE2 LYS B 37 13.978 6.115 5.468 1.00 0.00 H new ATOM 0 HE3 LYS B 37 12.406 5.483 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 12.297 7.365 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 11.567 5.966 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 13.103 6.441 7.747 1.00 0.00 H new ATOM 1562 N VAL B 38 16.128 2.292 2.703 1.00 0.00 N ATOM 1563 CA VAL B 38 17.202 2.972 1.992 1.00 0.00 C ATOM 1564 C VAL B 38 17.189 4.456 2.333 1.00 0.00 C ATOM 1565 O VAL B 38 18.236 5.090 2.470 1.00 0.00 O ATOM 1566 CB VAL B 38 17.063 2.802 0.463 1.00 0.00 C ATOM 1567 CG1 VAL B 38 18.251 3.417 -0.266 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.911 1.335 0.096 1.00 0.00 C ATOM 0 H VAL B 38 15.239 2.279 2.204 1.00 0.00 H new ATOM 0 HA VAL B 38 18.145 2.524 2.305 1.00 0.00 H new ATOM 0 HB VAL B 38 16.163 3.330 0.147 1.00 0.00 H new ATOM 0 HG11 VAL B 38 18.127 3.283 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL B 38 18.307 4.481 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL B 38 19.170 2.927 0.057 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.815 1.239 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.788 0.783 0.433 1.00 0.00 H new ATOM 0 HG23 VAL B 38 16.021 0.930 0.577 1.00 0.00 H new ATOM 1578 N GLY B 39 15.991 5.000 2.478 1.00 0.00 N ATOM 1579 CA GLY B 39 15.838 6.403 2.791 1.00 0.00 C ATOM 1580 C GLY B 39 14.397 6.844 2.675 1.00 0.00 C ATOM 1581 O GLY B 39 13.497 6.008 2.560 1.00 0.00 O ATOM 0 H GLY B 39 15.114 4.488 2.383 1.00 0.00 H new ATOM 0 HA2 GLY B 39 16.197 6.592 3.803 1.00 0.00 H new ATOM 0 HA3 GLY B 39 16.456 6.996 2.117 1.00 0.00 H new ATOM 1585 N THR B 40 14.169 8.145 2.697 1.00 0.00 N ATOM 1586 CA THR B 40 12.824 8.684 2.603 1.00 0.00 C ATOM 1587 C THR B 40 12.707 9.607 1.391 1.00 0.00 C ATOM 1588 O THR B 40 13.569 10.458 1.165 1.00 0.00 O ATOM 1589 CB THR B 40 12.453 9.463 3.882 1.00 0.00 C ATOM 1590 OG1 THR B 40 12.758 8.674 5.042 1.00 0.00 O ATOM 1591 CG2 THR B 40 10.977 9.831 3.897 1.00 0.00 C ATOM 0 H THR B 40 14.901 8.850 2.779 1.00 0.00 H new ATOM 0 HA THR B 40 12.134 7.848 2.489 1.00 0.00 H new ATOM 0 HB THR B 40 13.038 10.382 3.895 1.00 0.00 H new ATOM 0 HG1 THR B 40 12.522 9.175 5.850 1.00 0.00 H new ATOM 0 HG21 THR B 40 10.748 10.379 4.811 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.749 10.455 3.033 1.00 0.00 H new ATOM 0 HG23 THR B 40 10.375 8.923 3.858 1.00 0.00 H new ATOM 1599 N ILE B 41 11.655 9.422 0.609 1.00 0.00 N ATOM 1600 CA ILE B 41 11.409 10.273 -0.545 1.00 0.00 C ATOM 1601 C ILE B 41 10.322 11.285 -0.228 1.00 0.00 C ATOM 1602 O ILE B 41 9.422 11.018 0.574 1.00 0.00 O ATOM 1603 CB ILE B 41 11.007 9.466 -1.800 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.825 8.539 -1.494 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.197 8.677 -2.324 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.330 7.764 -2.698 1.00 0.00 C ATOM 0 H ILE B 41 10.958 8.691 0.752 1.00 0.00 H new ATOM 0 HA ILE B 41 12.346 10.785 -0.765 1.00 0.00 H new ATOM 0 HB ILE B 41 10.692 10.164 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.119 7.835 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.004 9.133 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE B 41 11.899 8.113 -3.208 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.002 9.364 -2.586 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.544 7.988 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.493 7.130 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.004 8.461 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.136 7.143 -3.087 1.00 0.00 H new ATOM 1618 N ASN B 42 10.416 12.445 -0.845 1.00 0.00 N ATOM 1619 CA ASN B 42 9.467 13.515 -0.606 1.00 0.00 C ATOM 1620 C ASN B 42 9.214 14.289 -1.888 1.00 0.00 C ATOM 1621 O ASN B 42 10.109 14.942 -2.422 1.00 0.00 O ATOM 1622 CB ASN B 42 9.992 14.444 0.494 1.00 0.00 C ATOM 1623 CG ASN B 42 9.106 15.656 0.752 1.00 0.00 C ATOM 1624 OD1 ASN B 42 9.601 16.713 1.142 1.00 0.00 O ATOM 1625 ND2 ASN B 42 7.799 15.513 0.575 1.00 0.00 N ATOM 0 H ASN B 42 11.145 12.673 -1.521 1.00 0.00 H new ATOM 0 HA ASN B 42 8.522 13.085 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN B 42 10.092 13.876 1.419 1.00 0.00 H new ATOM 0 HB3 ASN B 42 10.990 14.787 0.221 1.00 0.00 H new ATOM 0 HD21 ASN B 42 7.170 16.294 0.763 1.00 0.00 H new ATOM 0 HD22 ASN B 42 7.423 14.622 0.250 1.00 0.00 H new ATOM 1632 N VAL B 43 7.993 14.209 -2.382 1.00 0.00 N ATOM 1633 CA VAL B 43 7.618 14.924 -3.582 1.00 0.00 C ATOM 1634 C VAL B 43 6.836 16.171 -3.200 1.00 0.00 C ATOM 1635 O VAL B 43 5.659 16.099 -2.849 1.00 0.00 O ATOM 1636 CB VAL B 43 6.754 14.055 -4.524 1.00 0.00 C ATOM 1637 CG1 VAL B 43 6.488 14.779 -5.834 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.414 12.707 -4.781 1.00 0.00 C ATOM 0 H VAL B 43 7.244 13.654 -1.968 1.00 0.00 H new ATOM 0 HA VAL B 43 8.533 15.190 -4.112 1.00 0.00 H new ATOM 0 HB VAL B 43 5.798 13.876 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.878 14.148 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.960 15.711 -5.634 1.00 0.00 H new ATOM 0 HG13 VAL B 43 7.435 14.997 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.786 12.115 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL B 43 8.389 12.861 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.541 12.178 -3.836 1.00 0.00 H new ATOM 1648 N SER B 44 7.520 17.301 -3.223 1.00 0.00 N ATOM 1649 CA SER B 44 6.905 18.575 -2.914 1.00 0.00 C ATOM 1650 C SER B 44 6.577 19.312 -4.203 1.00 0.00 C ATOM 1651 O SER B 44 7.464 19.853 -4.862 1.00 0.00 O ATOM 1652 CB SER B 44 7.850 19.412 -2.054 1.00 0.00 C ATOM 1653 OG SER B 44 8.336 18.658 -0.956 1.00 0.00 O ATOM 0 H SER B 44 8.511 17.359 -3.455 1.00 0.00 H new ATOM 0 HA SER B 44 5.983 18.405 -2.359 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.687 19.761 -2.660 1.00 0.00 H new ATOM 0 HB3 SER B 44 7.329 20.298 -1.690 1.00 0.00 H new ATOM 0 HG SER B 44 7.593 18.439 -0.355 1.00 0.00 H new ATOM 1659 N GLN B 45 5.309 19.309 -4.576 1.00 0.00 N ATOM 1660 CA GLN B 45 4.892 19.921 -5.827 1.00 0.00 C ATOM 1661 C GLN B 45 3.964 21.094 -5.582 1.00 0.00 C ATOM 1662 O GLN B 45 3.335 21.192 -4.531 1.00 0.00 O ATOM 1663 CB GLN B 45 4.216 18.888 -6.732 1.00 0.00 C ATOM 1664 CG GLN B 45 5.187 17.862 -7.284 1.00 0.00 C ATOM 1665 CD GLN B 45 6.314 18.510 -8.062 1.00 0.00 C ATOM 1666 OE1 GLN B 45 6.133 19.559 -8.678 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.486 17.902 -8.026 1.00 0.00 N ATOM 0 H GLN B 45 4.553 18.892 -4.034 1.00 0.00 H new ATOM 0 HA GLN B 45 5.784 20.296 -6.328 1.00 0.00 H new ATOM 0 HB2 GLN B 45 3.435 18.376 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.728 19.402 -7.560 1.00 0.00 H new ATOM 0 HG2 GLN B 45 5.602 17.277 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN B 45 4.652 17.167 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.594 17.033 -7.503 1.00 0.00 H new ATOM 0 HE22 GLN B 45 8.283 18.302 -8.521 1.00 0.00 H new ATOM 1676 N SER B 46 3.887 21.981 -6.560 1.00 0.00 N ATOM 1677 CA SER B 46 3.027 23.152 -6.476 1.00 0.00 C ATOM 1678 C SER B 46 1.682 22.872 -7.137 1.00 0.00 C ATOM 1679 O SER B 46 0.956 23.792 -7.515 1.00 0.00 O ATOM 1680 CB SER B 46 3.711 24.337 -7.155 1.00 0.00 C ATOM 1681 OG SER B 46 5.034 24.502 -6.673 1.00 0.00 O ATOM 0 H SER B 46 4.415 21.912 -7.430 1.00 0.00 H new ATOM 0 HA SER B 46 2.852 23.390 -5.427 1.00 0.00 H new ATOM 0 HB2 SER B 46 3.729 24.182 -8.234 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.138 25.246 -6.973 1.00 0.00 H new ATOM 0 HG SER B 46 5.453 25.265 -7.123 1.00 0.00 H new ATOM 1687 N GLY B 47 1.355 21.594 -7.266 1.00 0.00 N ATOM 1688 CA GLY B 47 0.120 21.205 -7.907 1.00 0.00 C ATOM 1689 C GLY B 47 0.307 20.956 -9.389 1.00 0.00 C ATOM 1690 O GLY B 47 1.403 21.161 -9.921 1.00 0.00 O ATOM 0 H GLY B 47 1.928 20.817 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -0.266 20.303 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -0.626 21.986 -7.761 1.00 0.00 H new ATOM 1694 N GLY B 48 -0.746 20.497 -10.051 1.00 0.00 N ATOM 1695 CA GLY B 48 -0.685 20.254 -11.482 1.00 0.00 C ATOM 1696 C GLY B 48 0.000 18.944 -11.829 1.00 0.00 C ATOM 1697 O GLY B 48 -0.541 18.133 -12.579 1.00 0.00 O ATOM 0 H GLY B 48 -1.647 20.287 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -1.697 20.248 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -0.153 21.075 -11.963 1.00 0.00 H new ATOM 1701 N GLN B 49 1.189 18.744 -11.271 1.00 0.00 N ATOM 1702 CA GLN B 49 1.979 17.541 -11.523 1.00 0.00 C ATOM 1703 C GLN B 49 1.216 16.285 -11.115 1.00 0.00 C ATOM 1704 O GLN B 49 1.303 15.251 -11.773 1.00 0.00 O ATOM 1705 CB GLN B 49 3.302 17.616 -10.757 1.00 0.00 C ATOM 1706 CG GLN B 49 4.161 18.818 -11.121 1.00 0.00 C ATOM 1707 CD GLN B 49 4.765 18.721 -12.510 1.00 0.00 C ATOM 1708 OE1 GLN B 49 4.196 18.110 -13.414 1.00 0.00 O ATOM 1709 NE2 GLN B 49 5.927 19.327 -12.689 1.00 0.00 N ATOM 0 H GLN B 49 1.632 19.406 -10.634 1.00 0.00 H new ATOM 0 HA GLN B 49 2.180 17.485 -12.593 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.090 17.644 -9.688 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.871 16.706 -10.945 1.00 0.00 H new ATOM 0 HG2 GLN B 49 3.555 19.722 -11.057 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.963 18.919 -10.389 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.368 19.824 -11.915 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.382 19.298 -13.601 1.00 0.00 H new ATOM 1718 N ILE B 50 0.468 16.385 -10.027 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.328 15.269 -9.548 1.00 0.00 C ATOM 1720 C ILE B 50 -1.806 15.620 -9.608 1.00 0.00 C ATOM 1721 O ILE B 50 -2.222 16.679 -9.136 1.00 0.00 O ATOM 1722 CB ILE B 50 0.054 14.875 -8.106 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.533 14.484 -8.043 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.822 13.729 -7.611 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.001 14.094 -6.659 1.00 0.00 C ATOM 0 H ILE B 50 0.396 17.229 -9.459 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.126 14.416 -10.196 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.111 15.734 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.709 13.651 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.136 15.320 -8.399 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.536 13.466 -6.592 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.867 14.037 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.689 12.863 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.058 13.830 -6.693 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.858 14.932 -5.977 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.425 13.238 -6.308 1.00 0.00 H new ATOM 1737 N SER B 51 -2.587 14.743 -10.215 1.00 0.00 N ATOM 1738 CA SER B 51 -4.019 14.957 -10.340 1.00 0.00 C ATOM 1739 C SER B 51 -4.785 13.726 -9.867 1.00 0.00 C ATOM 1740 O SER B 51 -5.840 13.835 -9.243 1.00 0.00 O ATOM 1741 CB SER B 51 -4.368 15.284 -11.792 1.00 0.00 C ATOM 1742 OG SER B 51 -3.596 16.378 -12.263 1.00 0.00 O ATOM 0 H SER B 51 -2.253 13.873 -10.630 1.00 0.00 H new ATOM 0 HA SER B 51 -4.309 15.799 -9.711 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.189 14.411 -12.419 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.429 15.521 -11.871 1.00 0.00 H new ATOM 0 HG SER B 51 -3.834 16.569 -13.194 1.00 0.00 H new ATOM 1748 N SER B 52 -4.238 12.556 -10.160 1.00 0.00 N ATOM 1749 CA SER B 52 -4.839 11.302 -9.745 1.00 0.00 C ATOM 1750 C SER B 52 -3.802 10.450 -9.010 1.00 0.00 C ATOM 1751 O SER B 52 -2.612 10.780 -9.022 1.00 0.00 O ATOM 1752 CB SER B 52 -5.376 10.566 -10.977 1.00 0.00 C ATOM 1753 OG SER B 52 -4.349 10.338 -11.930 1.00 0.00 O ATOM 0 H SER B 52 -3.372 12.451 -10.688 1.00 0.00 H new ATOM 0 HA SER B 52 -5.668 11.495 -9.064 1.00 0.00 H new ATOM 0 HB2 SER B 52 -5.811 9.614 -10.673 1.00 0.00 H new ATOM 0 HB3 SER B 52 -6.175 11.151 -11.433 1.00 0.00 H new ATOM 0 HG SER B 52 -3.633 10.995 -11.803 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.228 9.354 -8.349 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.308 8.435 -7.668 1.00 0.00 C ATOM 1761 C PRO B 53 -2.231 7.901 -8.609 1.00 0.00 C ATOM 1762 O PRO B 53 -1.107 7.633 -8.190 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.210 7.291 -7.181 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.496 7.458 -7.918 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.627 8.927 -8.191 1.00 0.00 C ATOM 0 HA PRO B 53 -2.770 8.931 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -3.761 6.320 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.365 7.345 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.491 6.887 -8.847 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.336 7.095 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.213 9.121 -9.089 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.119 9.449 -7.370 1.00 0.00 H new ATOM 1773 N SER B 54 -2.581 7.769 -9.886 1.00 0.00 N ATOM 1774 CA SER B 54 -1.645 7.307 -10.900 1.00 0.00 C ATOM 1775 C SER B 54 -0.433 8.235 -10.997 1.00 0.00 C ATOM 1776 O SER B 54 0.701 7.770 -11.106 1.00 0.00 O ATOM 1777 CB SER B 54 -2.355 7.209 -12.249 1.00 0.00 C ATOM 1778 OG SER B 54 -3.475 6.344 -12.163 1.00 0.00 O ATOM 0 H SER B 54 -3.514 7.978 -10.242 1.00 0.00 H new ATOM 0 HA SER B 54 -1.283 6.320 -10.613 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.678 8.200 -12.569 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.662 6.840 -13.005 1.00 0.00 H new ATOM 0 HG SER B 54 -3.918 6.295 -13.036 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.677 9.544 -10.935 1.00 0.00 N ATOM 1785 CA ASP B 55 0.404 10.529 -10.987 1.00 0.00 C ATOM 1786 C ASP B 55 1.251 10.434 -9.725 1.00 0.00 C ATOM 1787 O ASP B 55 2.482 10.423 -9.776 1.00 0.00 O ATOM 1788 CB ASP B 55 -0.146 11.956 -11.101 1.00 0.00 C ATOM 1789 CG ASP B 55 -1.102 12.146 -12.260 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -0.641 12.244 -13.414 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -2.327 12.221 -12.012 1.00 0.00 O ATOM 0 H ASP B 55 -1.610 9.946 -10.849 1.00 0.00 H new ATOM 0 HA ASP B 55 1.008 10.311 -11.868 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.657 12.215 -10.173 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.687 12.650 -11.211 1.00 0.00 H new ATOM 1796 N LEU B 56 0.562 10.361 -8.593 1.00 0.00 N ATOM 1797 CA LEU B 56 1.204 10.283 -7.287 1.00 0.00 C ATOM 1798 C LEU B 56 2.122 9.068 -7.198 1.00 0.00 C ATOM 1799 O LEU B 56 3.316 9.195 -6.925 1.00 0.00 O ATOM 1800 CB LEU B 56 0.134 10.212 -6.193 1.00 0.00 C ATOM 1801 CG LEU B 56 0.658 10.017 -4.768 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.528 11.189 -4.348 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.499 9.838 -3.797 1.00 0.00 C ATOM 0 H LEU B 56 -0.457 10.354 -8.555 1.00 0.00 H new ATOM 0 HA LEU B 56 1.812 11.177 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.452 11.130 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.545 9.392 -6.427 1.00 0.00 H new ATOM 0 HG LEU B 56 1.270 9.115 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.889 11.028 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.377 11.273 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.943 12.108 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.110 9.701 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.136 10.722 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.082 8.963 -4.083 1.00 0.00 H new ATOM 1815 N ARG B 57 1.557 7.897 -7.452 1.00 0.00 N ATOM 1816 CA ARG B 57 2.290 6.646 -7.322 1.00 0.00 C ATOM 1817 C ARG B 57 3.395 6.533 -8.365 1.00 0.00 C ATOM 1818 O ARG B 57 4.380 5.825 -8.154 1.00 0.00 O ATOM 1819 CB ARG B 57 1.327 5.468 -7.433 1.00 0.00 C ATOM 1820 CG ARG B 57 0.317 5.417 -6.299 1.00 0.00 C ATOM 1821 CD ARG B 57 -0.727 4.341 -6.532 1.00 0.00 C ATOM 1822 NE ARG B 57 -1.653 4.229 -5.410 1.00 0.00 N ATOM 1823 CZ ARG B 57 -2.733 3.456 -5.411 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -3.115 2.843 -6.526 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -3.451 3.333 -4.306 1.00 0.00 N ATOM 0 H ARG B 57 0.588 7.787 -7.751 1.00 0.00 H new ATOM 0 HA ARG B 57 2.765 6.631 -6.341 1.00 0.00 H new ATOM 0 HB2 ARG B 57 0.796 5.529 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG B 57 1.898 4.539 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG B 57 0.834 5.226 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG B 57 -0.173 6.386 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG B 57 -1.284 4.567 -7.441 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -0.232 3.383 -6.691 1.00 0.00 H new ATOM 0 HE ARG B 57 -1.459 4.778 -4.573 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -2.578 2.965 -7.385 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -3.945 2.250 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -3.174 3.830 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -4.281 2.741 -4.301 1.00 0.00 H new ATOM 1839 N GLU B 58 3.235 7.235 -9.482 1.00 0.00 N ATOM 1840 CA GLU B 58 4.259 7.254 -10.516 1.00 0.00 C ATOM 1841 C GLU B 58 5.520 7.921 -9.976 1.00 0.00 C ATOM 1842 O GLU B 58 6.587 7.316 -9.966 1.00 0.00 O ATOM 1843 CB GLU B 58 3.758 7.990 -11.762 1.00 0.00 C ATOM 1844 CG GLU B 58 4.701 7.900 -12.953 1.00 0.00 C ATOM 1845 CD GLU B 58 4.930 6.472 -13.412 1.00 0.00 C ATOM 1846 OE1 GLU B 58 4.001 5.866 -13.980 1.00 0.00 O ATOM 1847 OE2 GLU B 58 6.047 5.947 -13.214 1.00 0.00 O ATOM 0 H GLU B 58 2.409 7.795 -9.692 1.00 0.00 H new ATOM 0 HA GLU B 58 4.490 6.228 -10.801 1.00 0.00 H new ATOM 0 HB2 GLU B 58 2.788 7.582 -12.047 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.602 9.040 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.293 8.482 -13.779 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.658 8.350 -12.688 1.00 0.00 H new ATOM 1854 N LYS B 59 5.377 9.157 -9.501 1.00 0.00 N ATOM 1855 CA LYS B 59 6.493 9.900 -8.919 1.00 0.00 C ATOM 1856 C LYS B 59 7.096 9.168 -7.723 1.00 0.00 C ATOM 1857 O LYS B 59 8.314 9.165 -7.539 1.00 0.00 O ATOM 1858 CB LYS B 59 6.032 11.300 -8.502 1.00 0.00 C ATOM 1859 CG LYS B 59 6.005 12.286 -9.653 1.00 0.00 C ATOM 1860 CD LYS B 59 7.407 12.763 -9.989 1.00 0.00 C ATOM 1861 CE LYS B 59 7.479 13.355 -11.385 1.00 0.00 C ATOM 1862 NZ LYS B 59 7.368 12.308 -12.433 1.00 0.00 N ATOM 0 H LYS B 59 4.494 9.667 -9.508 1.00 0.00 H new ATOM 0 HA LYS B 59 7.268 9.986 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.035 11.233 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.695 11.677 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS B 59 5.556 11.817 -10.529 1.00 0.00 H new ATOM 0 HG3 LYS B 59 5.379 13.139 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS B 59 7.722 13.510 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS B 59 8.104 11.928 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.679 14.084 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS B 59 8.420 13.891 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.811 12.647 -13.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.851 11.444 -12.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 6.365 12.099 -12.610 1.00 0.00 H new ATOM 1876 N LEU B 60 6.246 8.545 -6.920 1.00 0.00 N ATOM 1877 CA LEU B 60 6.709 7.811 -5.750 1.00 0.00 C ATOM 1878 C LEU B 60 7.541 6.600 -6.157 1.00 0.00 C ATOM 1879 O LEU B 60 8.645 6.405 -5.654 1.00 0.00 O ATOM 1880 CB LEU B 60 5.526 7.382 -4.883 1.00 0.00 C ATOM 1881 CG LEU B 60 4.745 8.535 -4.251 1.00 0.00 C ATOM 1882 CD1 LEU B 60 3.545 8.005 -3.490 1.00 0.00 C ATOM 1883 CD2 LEU B 60 5.644 9.348 -3.330 1.00 0.00 C ATOM 0 H LEU B 60 5.235 8.532 -7.056 1.00 0.00 H new ATOM 0 HA LEU B 60 7.345 8.476 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 60 4.843 6.789 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU B 60 5.892 6.731 -4.089 1.00 0.00 H new ATOM 0 HG LEU B 60 4.389 9.189 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU B 60 2.999 8.837 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU B 60 2.890 7.465 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU B 60 3.882 7.331 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.071 10.164 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.029 8.706 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.477 9.757 -3.902 1.00 0.00 H new ATOM 1895 N SER B 61 7.021 5.799 -7.080 1.00 0.00 N ATOM 1896 CA SER B 61 7.750 4.635 -7.568 1.00 0.00 C ATOM 1897 C SER B 61 9.007 5.071 -8.313 1.00 0.00 C ATOM 1898 O SER B 61 10.057 4.439 -8.206 1.00 0.00 O ATOM 1899 CB SER B 61 6.862 3.797 -8.488 1.00 0.00 C ATOM 1900 OG SER B 61 5.684 3.383 -7.822 1.00 0.00 O ATOM 0 H SER B 61 6.103 5.933 -7.503 1.00 0.00 H new ATOM 0 HA SER B 61 8.041 4.027 -6.711 1.00 0.00 H new ATOM 0 HB2 SER B 61 6.598 4.378 -9.372 1.00 0.00 H new ATOM 0 HB3 SER B 61 7.414 2.923 -8.834 1.00 0.00 H new ATOM 0 HG SER B 61 5.038 4.120 -7.811 1.00 0.00 H new ATOM 1906 N GLU B 62 8.885 6.172 -9.047 1.00 0.00 N ATOM 1907 CA GLU B 62 9.990 6.736 -9.806 1.00 0.00 C ATOM 1908 C GLU B 62 11.178 7.029 -8.895 1.00 0.00 C ATOM 1909 O GLU B 62 12.308 6.618 -9.175 1.00 0.00 O ATOM 1910 CB GLU B 62 9.519 8.011 -10.513 1.00 0.00 C ATOM 1911 CG GLU B 62 10.585 8.706 -11.338 1.00 0.00 C ATOM 1912 CD GLU B 62 10.017 9.840 -12.168 1.00 0.00 C ATOM 1913 OE1 GLU B 62 9.348 10.723 -11.600 1.00 0.00 O ATOM 1914 OE2 GLU B 62 10.227 9.840 -13.400 1.00 0.00 O ATOM 0 H GLU B 62 8.015 6.698 -9.131 1.00 0.00 H new ATOM 0 HA GLU B 62 10.318 6.013 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU B 62 8.680 7.762 -11.163 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.145 8.709 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU B 62 11.359 9.095 -10.676 1.00 0.00 H new ATOM 0 HG3 GLU B 62 11.063 7.981 -11.996 1.00 0.00 H new ATOM 1921 N LEU B 63 10.912 7.716 -7.793 1.00 0.00 N ATOM 1922 CA LEU B 63 11.958 8.068 -6.845 1.00 0.00 C ATOM 1923 C LEU B 63 12.391 6.857 -6.024 1.00 0.00 C ATOM 1924 O LEU B 63 13.562 6.732 -5.671 1.00 0.00 O ATOM 1925 CB LEU B 63 11.488 9.196 -5.924 1.00 0.00 C ATOM 1926 CG LEU B 63 11.180 10.519 -6.627 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.714 11.559 -5.623 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.400 11.023 -7.383 1.00 0.00 C ATOM 0 H LEU B 63 9.980 8.040 -7.534 1.00 0.00 H new ATOM 0 HA LEU B 63 12.821 8.415 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.593 8.865 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.255 9.373 -5.170 1.00 0.00 H new ATOM 0 HG LEU B 63 10.378 10.345 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.499 12.494 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.812 11.205 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.496 11.726 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU B 63 12.159 11.965 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU B 63 13.222 11.179 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.694 10.287 -8.131 1.00 0.00 H new ATOM 1940 N ALA B 64 11.452 5.963 -5.730 1.00 0.00 N ATOM 1941 CA ALA B 64 11.752 4.764 -4.952 1.00 0.00 C ATOM 1942 C ALA B 64 12.758 3.874 -5.674 1.00 0.00 C ATOM 1943 O ALA B 64 13.773 3.473 -5.098 1.00 0.00 O ATOM 1944 CB ALA B 64 10.478 3.990 -4.654 1.00 0.00 C ATOM 0 H ALA B 64 10.477 6.045 -6.018 1.00 0.00 H new ATOM 0 HA ALA B 64 12.199 5.080 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.720 3.100 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA B 64 9.795 4.620 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.004 3.695 -5.590 1.00 0.00 H new ATOM 1950 N ASP B 65 12.484 3.580 -6.941 1.00 0.00 N ATOM 1951 CA ASP B 65 13.390 2.766 -7.747 1.00 0.00 C ATOM 1952 C ASP B 65 14.693 3.513 -8.012 1.00 0.00 C ATOM 1953 O ASP B 65 15.743 2.899 -8.202 1.00 0.00 O ATOM 1954 CB ASP B 65 12.738 2.353 -9.071 1.00 0.00 C ATOM 1955 CG ASP B 65 11.712 1.247 -8.901 1.00 0.00 C ATOM 1956 OD1 ASP B 65 12.118 0.080 -8.722 1.00 0.00 O ATOM 1957 OD2 ASP B 65 10.496 1.536 -8.957 1.00 0.00 O ATOM 0 H ASP B 65 11.645 3.891 -7.431 1.00 0.00 H new ATOM 0 HA ASP B 65 13.613 1.861 -7.182 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.258 3.222 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.511 2.022 -9.764 1.00 0.00 H new ATOM 1962 N ALA B 66 14.620 4.843 -8.015 1.00 0.00 N ATOM 1963 CA ALA B 66 15.810 5.674 -8.166 1.00 0.00 C ATOM 1964 C ALA B 66 16.712 5.566 -6.935 1.00 0.00 C ATOM 1965 O ALA B 66 17.936 5.620 -7.048 1.00 0.00 O ATOM 1966 CB ALA B 66 15.421 7.123 -8.413 1.00 0.00 C ATOM 0 H ALA B 66 13.750 5.366 -7.915 1.00 0.00 H new ATOM 0 HA ALA B 66 16.368 5.312 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA B 66 16.321 7.728 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA B 66 14.825 7.190 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA B 66 14.837 7.492 -7.570 1.00 0.00 H new ATOM 1972 N LYS B 67 16.096 5.425 -5.764 1.00 0.00 N ATOM 1973 CA LYS B 67 16.838 5.218 -4.522 1.00 0.00 C ATOM 1974 C LYS B 67 17.462 3.829 -4.513 1.00 0.00 C ATOM 1975 O LYS B 67 18.557 3.624 -3.983 1.00 0.00 O ATOM 1976 CB LYS B 67 15.912 5.352 -3.308 1.00 0.00 C ATOM 1977 CG LYS B 67 15.319 6.737 -3.106 1.00 0.00 C ATOM 1978 CD LYS B 67 16.360 7.734 -2.630 1.00 0.00 C ATOM 1979 CE LYS B 67 15.723 9.079 -2.309 1.00 0.00 C ATOM 1980 NZ LYS B 67 16.712 10.063 -1.798 1.00 0.00 N ATOM 0 H LYS B 67 15.083 5.450 -5.649 1.00 0.00 H new ATOM 0 HA LYS B 67 17.618 5.977 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.097 4.635 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.469 5.077 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS B 67 14.884 7.086 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.509 6.683 -2.379 1.00 0.00 H new ATOM 0 HD2 LYS B 67 16.862 7.345 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.123 7.863 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.248 9.477 -3.206 1.00 0.00 H new ATOM 0 HE3 LYS B 67 14.937 8.939 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 16.232 10.963 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.148 9.697 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 17.449 10.219 -2.515 1.00 0.00 H new ATOM 1994 N GLY B 68 16.750 2.879 -5.105 1.00 0.00 N ATOM 1995 CA GLY B 68 17.195 1.502 -5.104 1.00 0.00 C ATOM 1996 C GLY B 68 16.315 0.628 -4.235 1.00 0.00 C ATOM 1997 O GLY B 68 16.743 -0.420 -3.756 1.00 0.00 O ATOM 0 H GLY B 68 15.867 3.041 -5.589 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.194 1.119 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.223 1.452 -4.746 1.00 0.00 H new ATOM 2001 N GLY B 69 15.081 1.061 -4.027 1.00 0.00 N ATOM 2002 CA GLY B 69 14.163 0.306 -3.204 1.00 0.00 C ATOM 2003 C GLY B 69 13.009 -0.250 -4.005 1.00 0.00 C ATOM 2004 O GLY B 69 12.393 0.465 -4.791 1.00 0.00 O ATOM 0 H GLY B 69 14.699 1.924 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.698 -0.513 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.778 0.946 -2.410 1.00 0.00 H new ATOM 2008 N LYS B 70 12.716 -1.525 -3.807 1.00 0.00 N ATOM 2009 CA LYS B 70 11.638 -2.181 -4.535 1.00 0.00 C ATOM 2010 C LYS B 70 10.315 -2.014 -3.805 1.00 0.00 C ATOM 2011 O LYS B 70 9.251 -2.260 -4.367 1.00 0.00 O ATOM 2012 CB LYS B 70 11.936 -3.670 -4.706 1.00 0.00 C ATOM 2013 CG LYS B 70 13.145 -3.964 -5.574 1.00 0.00 C ATOM 2014 CD LYS B 70 13.351 -5.460 -5.721 1.00 0.00 C ATOM 2015 CE LYS B 70 14.480 -5.782 -6.684 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.621 -7.246 -6.890 1.00 0.00 N ATOM 0 H LYS B 70 13.209 -2.128 -3.148 1.00 0.00 H new ATOM 0 HA LYS B 70 11.565 -1.713 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.092 -4.114 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.063 -4.157 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.011 -3.512 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.033 -3.511 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.570 -5.894 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.429 -5.921 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS B 70 14.293 -5.296 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.415 -5.376 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.401 -7.430 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.824 -7.707 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.737 -7.628 -7.282 1.00 0.00 H new ATOM 2030 N TYR B 71 10.387 -1.599 -2.553 1.00 0.00 N ATOM 2031 CA TYR B 71 9.201 -1.461 -1.727 1.00 0.00 C ATOM 2032 C TYR B 71 9.142 -0.053 -1.159 1.00 0.00 C ATOM 2033 O TYR B 71 10.177 0.525 -0.833 1.00 0.00 O ATOM 2034 CB TYR B 71 9.236 -2.479 -0.581 1.00 0.00 C ATOM 2035 CG TYR B 71 9.628 -3.883 -1.003 1.00 0.00 C ATOM 2036 CD1 TYR B 71 8.678 -4.788 -1.462 1.00 0.00 C ATOM 2037 CD2 TYR B 71 10.953 -4.302 -0.935 1.00 0.00 C ATOM 2038 CE1 TYR B 71 9.039 -6.068 -1.843 1.00 0.00 C ATOM 2039 CE2 TYR B 71 11.320 -5.579 -1.315 1.00 0.00 C ATOM 2040 CZ TYR B 71 10.360 -6.458 -1.768 1.00 0.00 C ATOM 2041 OH TYR B 71 10.723 -7.733 -2.144 1.00 0.00 O ATOM 0 H TYR B 71 11.258 -1.351 -2.084 1.00 0.00 H new ATOM 0 HA TYR B 71 8.317 -1.646 -2.337 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.938 -2.131 0.177 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.253 -2.515 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR B 71 7.642 -4.487 -1.522 1.00 0.00 H new ATOM 0 HD2 TYR B 71 11.708 -3.617 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR B 71 8.289 -6.759 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR B 71 12.354 -5.887 -1.257 1.00 0.00 H new ATOM 0 HH TYR B 71 11.690 -7.844 -2.031 1.00 0.00 H new ATOM 2051 N TYR B 72 7.948 0.506 -1.056 1.00 0.00 N ATOM 2052 CA TYR B 72 7.786 1.814 -0.442 1.00 0.00 C ATOM 2053 C TYR B 72 6.424 1.925 0.226 1.00 0.00 C ATOM 2054 O TYR B 72 5.478 1.229 -0.147 1.00 0.00 O ATOM 2055 CB TYR B 72 7.973 2.942 -1.468 1.00 0.00 C ATOM 2056 CG TYR B 72 6.839 3.097 -2.460 1.00 0.00 C ATOM 2057 CD1 TYR B 72 6.778 2.320 -3.608 1.00 0.00 C ATOM 2058 CD2 TYR B 72 5.834 4.036 -2.251 1.00 0.00 C ATOM 2059 CE1 TYR B 72 5.751 2.471 -4.519 1.00 0.00 C ATOM 2060 CE2 TYR B 72 4.803 4.191 -3.155 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.766 3.406 -4.287 1.00 0.00 C ATOM 2062 OH TYR B 72 3.743 3.561 -5.194 1.00 0.00 O ATOM 0 H TYR B 72 7.083 0.079 -1.387 1.00 0.00 H new ATOM 0 HA TYR B 72 8.560 1.922 0.318 1.00 0.00 H new ATOM 0 HB2 TYR B 72 8.099 3.883 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.896 2.763 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR B 72 7.547 1.584 -3.792 1.00 0.00 H new ATOM 0 HD2 TYR B 72 5.861 4.654 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR B 72 5.720 1.859 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR B 72 4.030 4.923 -2.976 1.00 0.00 H new ATOM 0 HH TYR B 72 4.108 3.556 -6.103 1.00 0.00 H new ATOM 2072 N HIS B 73 6.336 2.792 1.221 1.00 0.00 N ATOM 2073 CA HIS B 73 5.086 3.010 1.931 1.00 0.00 C ATOM 2074 C HIS B 73 4.812 4.499 2.078 1.00 0.00 C ATOM 2075 O HIS B 73 5.636 5.239 2.616 1.00 0.00 O ATOM 2076 CB HIS B 73 5.122 2.346 3.314 1.00 0.00 C ATOM 2077 CG HIS B 73 3.869 2.554 4.116 1.00 0.00 C ATOM 2078 ND1 HIS B 73 2.710 1.845 3.894 1.00 0.00 N ATOM 2079 CD2 HIS B 73 3.594 3.405 5.133 1.00 0.00 C ATOM 2080 CE1 HIS B 73 1.778 2.251 4.734 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.288 3.196 5.498 1.00 0.00 N ATOM 0 H HIS B 73 7.116 3.357 1.556 1.00 0.00 H new ATOM 0 HA HIS B 73 4.283 2.557 1.349 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.290 1.276 3.189 1.00 0.00 H new ATOM 0 HB3 HIS B 73 5.971 2.739 3.874 1.00 0.00 H new ATOM 0 HD1 HIS B 73 2.591 1.118 3.189 1.00 0.00 H new ATOM 0 HD2 HIS B 73 4.276 4.116 5.575 1.00 0.00 H new ATOM 0 HE1 HIS B 73 0.768 1.873 4.787 1.00 0.00 H new ATOM 2090 N ILE B 74 3.657 4.928 1.590 1.00 0.00 N ATOM 2091 CA ILE B 74 3.222 6.307 1.757 1.00 0.00 C ATOM 2092 C ILE B 74 2.845 6.556 3.211 1.00 0.00 C ATOM 2093 O ILE B 74 1.931 5.920 3.735 1.00 0.00 O ATOM 2094 CB ILE B 74 2.004 6.631 0.867 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.294 6.271 -0.590 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.637 8.105 0.991 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.108 6.472 -1.510 1.00 0.00 C ATOM 0 H ILE B 74 3.003 4.339 1.074 1.00 0.00 H new ATOM 0 HA ILE B 74 4.050 6.951 1.461 1.00 0.00 H new ATOM 0 HB ILE B 74 1.158 6.033 1.205 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.127 6.877 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.612 5.230 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.776 8.320 0.358 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.391 8.333 2.028 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.481 8.718 0.676 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.386 6.197 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.280 5.846 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.803 7.518 -1.487 1.00 0.00 H new ATOM 2109 N ILE B 75 3.558 7.463 3.862 1.00 0.00 N ATOM 2110 CA ILE B 75 3.299 7.760 5.263 1.00 0.00 C ATOM 2111 C ILE B 75 2.633 9.120 5.428 1.00 0.00 C ATOM 2112 O ILE B 75 1.934 9.360 6.412 1.00 0.00 O ATOM 2113 CB ILE B 75 4.593 7.711 6.107 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.646 8.673 5.543 1.00 0.00 C ATOM 2115 CG2 ILE B 75 5.134 6.289 6.155 1.00 0.00 C ATOM 2116 CD1 ILE B 75 6.912 8.745 6.371 1.00 0.00 C ATOM 0 H ILE B 75 4.316 8.003 3.446 1.00 0.00 H new ATOM 0 HA ILE B 75 2.620 6.988 5.625 1.00 0.00 H new ATOM 0 HB ILE B 75 4.357 8.028 7.123 1.00 0.00 H new ATOM 0 HG12 ILE B 75 5.902 8.363 4.530 1.00 0.00 H new ATOM 0 HG13 ILE B 75 5.212 9.670 5.471 1.00 0.00 H new ATOM 0 HG21 ILE B 75 6.046 6.266 6.752 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.390 5.631 6.604 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.355 5.949 5.143 1.00 0.00 H new ATOM 0 HD11 ILE B 75 7.609 9.445 5.910 1.00 0.00 H new ATOM 0 HD12 ILE B 75 6.669 9.085 7.378 1.00 0.00 H new ATOM 0 HD13 ILE B 75 7.370 7.757 6.422 1.00 0.00 H new ATOM 2128 N ALA B 76 2.846 10.007 4.463 1.00 0.00 N ATOM 2129 CA ALA B 76 2.271 11.341 4.528 1.00 0.00 C ATOM 2130 C ALA B 76 2.092 11.941 3.138 1.00 0.00 C ATOM 2131 O ALA B 76 3.029 12.482 2.560 1.00 0.00 O ATOM 2132 CB ALA B 76 3.137 12.251 5.389 1.00 0.00 C ATOM 0 H ALA B 76 3.409 9.826 3.632 1.00 0.00 H new ATOM 0 HA ALA B 76 1.285 11.255 4.984 1.00 0.00 H new ATOM 0 HB1 ALA B 76 2.693 13.246 5.428 1.00 0.00 H new ATOM 0 HB2 ALA B 76 3.202 11.843 6.398 1.00 0.00 H new ATOM 0 HB3 ALA B 76 4.136 12.316 4.959 1.00 0.00 H new ATOM 2138 N ALA B 77 0.893 11.813 2.595 1.00 0.00 N ATOM 2139 CA ALA B 77 0.549 12.457 1.338 1.00 0.00 C ATOM 2140 C ALA B 77 -0.464 13.561 1.599 1.00 0.00 C ATOM 2141 O ALA B 77 -1.675 13.367 1.452 1.00 0.00 O ATOM 2142 CB ALA B 77 0.015 11.448 0.333 1.00 0.00 C ATOM 0 H ALA B 77 0.138 11.266 3.008 1.00 0.00 H new ATOM 0 HA ALA B 77 1.448 12.895 0.905 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -0.234 11.958 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA B 77 0.774 10.690 0.140 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -0.879 10.971 0.736 1.00 0.00 H new ATOM 2148 N ARG B 78 0.037 14.709 2.018 1.00 0.00 N ATOM 2149 CA ARG B 78 -0.815 15.801 2.450 1.00 0.00 C ATOM 2150 C ARG B 78 -0.873 16.902 1.405 1.00 0.00 C ATOM 2151 O ARG B 78 0.005 17.018 0.549 1.00 0.00 O ATOM 2152 CB ARG B 78 -0.328 16.367 3.784 1.00 0.00 C ATOM 2153 CG ARG B 78 1.126 16.814 3.768 1.00 0.00 C ATOM 2154 CD ARG B 78 1.537 17.417 5.098 1.00 0.00 C ATOM 2155 NE ARG B 78 1.325 16.495 6.213 1.00 0.00 N ATOM 2156 CZ ARG B 78 1.541 16.810 7.488 1.00 0.00 C ATOM 2157 NH1 ARG B 78 1.995 18.017 7.811 1.00 0.00 N ATOM 2158 NH2 ARG B 78 1.307 15.917 8.441 1.00 0.00 N ATOM 0 H ARG B 78 1.036 14.909 2.068 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.822 15.404 2.581 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -0.956 17.215 4.059 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -0.457 15.610 4.558 1.00 0.00 H new ATOM 0 HG2 ARG B 78 1.767 15.962 3.540 1.00 0.00 H new ATOM 0 HG3 ARG B 78 1.274 17.546 2.974 1.00 0.00 H new ATOM 0 HD2 ARG B 78 2.589 17.699 5.057 1.00 0.00 H new ATOM 0 HD3 ARG B 78 0.969 18.331 5.272 1.00 0.00 H new ATOM 0 HE ARG B 78 0.992 15.555 6.001 1.00 0.00 H new ATOM 0 HH11 ARG B 78 2.179 18.705 7.081 1.00 0.00 H new ATOM 0 HH12 ARG B 78 2.159 18.255 8.789 1.00 0.00 H new ATOM 0 HH21 ARG B 78 0.962 14.989 8.197 1.00 0.00 H new ATOM 0 HH22 ARG B 78 1.473 16.159 9.418 1.00 0.00 H new ATOM 2172 N GLU B 79 -1.911 17.707 1.494 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.139 18.779 0.550 1.00 0.00 C ATOM 2174 C GLU B 79 -2.112 20.113 1.284 1.00 0.00 C ATOM 2175 O GLU B 79 -3.045 20.456 2.015 1.00 0.00 O ATOM 2176 CB GLU B 79 -3.479 18.562 -0.143 1.00 0.00 C ATOM 2177 CG GLU B 79 -3.673 19.380 -1.404 1.00 0.00 C ATOM 2178 CD GLU B 79 -4.927 18.977 -2.144 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -4.875 18.011 -2.932 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -5.981 19.609 -1.929 1.00 0.00 O ATOM 0 H GLU B 79 -2.620 17.636 2.223 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.355 18.787 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -3.579 17.505 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.279 18.802 0.557 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -3.726 20.438 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -2.809 19.254 -2.056 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.031 20.848 1.106 1.00 0.00 N ATOM 2188 CA HIS B 80 -0.832 22.096 1.819 1.00 0.00 C ATOM 2189 C HIS B 80 -1.177 23.270 0.912 1.00 0.00 C ATOM 2190 O HIS B 80 -0.302 23.853 0.268 1.00 0.00 O ATOM 2191 CB HIS B 80 0.612 22.196 2.318 1.00 0.00 C ATOM 2192 CG HIS B 80 0.827 23.261 3.349 1.00 0.00 C ATOM 2193 ND1 HIS B 80 1.761 24.264 3.213 1.00 0.00 N ATOM 2194 CD2 HIS B 80 0.240 23.458 4.553 1.00 0.00 C ATOM 2195 CE1 HIS B 80 1.741 25.028 4.287 1.00 0.00 C ATOM 2196 NE2 HIS B 80 0.828 24.561 5.115 1.00 0.00 N ATOM 0 H HIS B 80 -0.273 20.601 0.470 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.492 22.123 2.686 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.909 21.234 2.736 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.267 22.389 1.468 1.00 0.00 H new ATOM 0 HD2 HIS B 80 -0.545 22.858 4.989 1.00 0.00 H new ATOM 0 HE1 HIS B 80 2.367 25.891 4.459 1.00 0.00 H new ATOM 0 HE2 HIS B 80 0.597 24.956 6.026 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.462 23.581 0.836 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.915 24.632 -0.046 1.00 0.00 C ATOM 2207 C GLY B 81 -2.882 24.183 -1.490 1.00 0.00 C ATOM 2208 O GLY B 81 -3.476 23.161 -1.837 1.00 0.00 O ATOM 0 H GLY B 81 -3.199 23.122 1.371 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.930 24.925 0.224 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.285 25.513 0.079 1.00 0.00 H new ATOM 2212 N PRO B 82 -2.183 24.924 -2.359 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.983 24.522 -3.748 1.00 0.00 C ATOM 2214 C PRO B 82 -0.858 23.501 -3.883 1.00 0.00 C ATOM 2215 O PRO B 82 -0.748 22.804 -4.895 1.00 0.00 O ATOM 2216 CB PRO B 82 -1.599 25.832 -4.431 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.917 26.626 -3.368 1.00 0.00 C ATOM 2218 CD PRO B 82 -1.552 26.225 -2.060 1.00 0.00 C ATOM 0 HA PRO B 82 -2.863 24.043 -4.177 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.939 25.657 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -2.478 26.352 -4.812 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.154 26.422 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -1.036 27.695 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.811 26.137 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -2.287 26.960 -1.730 1.00 0.00 H new ATOM 2226 N ASN B 83 -0.035 23.408 -2.846 1.00 0.00 N ATOM 2227 CA ASN B 83 1.127 22.535 -2.862 1.00 0.00 C ATOM 2228 C ASN B 83 0.781 21.163 -2.306 1.00 0.00 C ATOM 2229 O ASN B 83 -0.112 21.027 -1.473 1.00 0.00 O ATOM 2230 CB ASN B 83 2.272 23.146 -2.052 1.00 0.00 C ATOM 2231 CG ASN B 83 2.881 24.372 -2.709 1.00 0.00 C ATOM 2232 OD1 ASN B 83 2.428 25.496 -2.496 1.00 0.00 O ATOM 2233 ND2 ASN B 83 3.921 24.164 -3.500 1.00 0.00 N ATOM 0 H ASN B 83 -0.154 23.931 -1.979 1.00 0.00 H new ATOM 0 HA ASN B 83 1.446 22.423 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN B 83 1.904 23.417 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.049 22.395 -1.909 1.00 0.00 H new ATOM 0 HD21 ASN B 83 4.378 24.952 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN B 83 4.266 23.216 -3.650 1.00 0.00 H new ATOM 2240 N PHE B 84 1.498 20.154 -2.764 1.00 0.00 N ATOM 2241 CA PHE B 84 1.262 18.790 -2.327 1.00 0.00 C ATOM 2242 C PHE B 84 2.558 18.186 -1.802 1.00 0.00 C ATOM 2243 O PHE B 84 3.613 18.340 -2.421 1.00 0.00 O ATOM 2244 CB PHE B 84 0.712 17.956 -3.488 1.00 0.00 C ATOM 2245 CG PHE B 84 0.274 16.575 -3.094 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.006 16.354 -2.613 1.00 0.00 C ATOM 2247 CD2 PHE B 84 1.137 15.498 -3.207 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.415 15.087 -2.252 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.733 14.229 -2.847 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.544 14.022 -2.369 1.00 0.00 C ATOM 0 H PHE B 84 2.253 20.254 -3.442 1.00 0.00 H new ATOM 0 HA PHE B 84 0.526 18.792 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.134 18.482 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE B 84 1.478 17.877 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.692 17.183 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE B 84 2.138 15.653 -3.581 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.416 14.928 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE B 84 1.417 13.398 -2.939 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.862 13.029 -2.087 1.00 0.00 H new ATOM 2260 N GLU B 85 2.477 17.517 -0.660 1.00 0.00 N ATOM 2261 CA GLU B 85 3.639 16.880 -0.053 1.00 0.00 C ATOM 2262 C GLU B 85 3.451 15.372 -0.012 1.00 0.00 C ATOM 2263 O GLU B 85 2.621 14.865 0.745 1.00 0.00 O ATOM 2264 CB GLU B 85 3.865 17.397 1.369 1.00 0.00 C ATOM 2265 CG GLU B 85 4.271 18.857 1.446 1.00 0.00 C ATOM 2266 CD GLU B 85 5.634 19.114 0.839 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.557 18.291 1.057 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.800 20.145 0.160 1.00 0.00 O ATOM 0 H GLU B 85 1.612 17.401 -0.132 1.00 0.00 H new ATOM 0 HA GLU B 85 4.510 17.124 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.950 17.256 1.944 1.00 0.00 H new ATOM 0 HB3 GLU B 85 4.637 16.792 1.845 1.00 0.00 H new ATOM 0 HG2 GLU B 85 3.527 19.465 0.931 1.00 0.00 H new ATOM 0 HG3 GLU B 85 4.276 19.175 2.489 1.00 0.00 H new ATOM 2275 N ALA B 86 4.209 14.662 -0.829 1.00 0.00 N ATOM 2276 CA ALA B 86 4.165 13.208 -0.823 1.00 0.00 C ATOM 2277 C ALA B 86 5.407 12.642 -0.147 1.00 0.00 C ATOM 2278 O ALA B 86 6.493 12.644 -0.723 1.00 0.00 O ATOM 2279 CB ALA B 86 4.046 12.669 -2.240 1.00 0.00 C ATOM 0 H ALA B 86 4.860 15.065 -1.503 1.00 0.00 H new ATOM 0 HA ALA B 86 3.286 12.895 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA B 86 4.015 11.580 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA B 86 3.132 13.047 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.906 12.993 -2.826 1.00 0.00 H new ATOM 2285 N VAL B 87 5.244 12.194 1.087 1.00 0.00 N ATOM 2286 CA VAL B 87 6.341 11.604 1.839 1.00 0.00 C ATOM 2287 C VAL B 87 6.157 10.094 1.941 1.00 0.00 C ATOM 2288 O VAL B 87 5.117 9.610 2.401 1.00 0.00 O ATOM 2289 CB VAL B 87 6.439 12.201 3.261 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.670 11.674 3.986 1.00 0.00 C ATOM 2291 CG2 VAL B 87 6.458 13.721 3.208 1.00 0.00 C ATOM 0 H VAL B 87 4.358 12.228 1.592 1.00 0.00 H new ATOM 0 HA VAL B 87 7.264 11.830 1.304 1.00 0.00 H new ATOM 0 HB VAL B 87 5.556 11.890 3.819 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.718 12.108 4.985 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.609 10.589 4.065 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.566 11.948 3.428 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.527 14.120 4.220 1.00 0.00 H new ATOM 0 HG22 VAL B 87 7.318 14.054 2.627 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.542 14.080 2.739 1.00 0.00 H new ATOM 2301 N ALA B 88 7.163 9.354 1.498 1.00 0.00 N ATOM 2302 CA ALA B 88 7.117 7.900 1.539 1.00 0.00 C ATOM 2303 C ALA B 88 8.483 7.338 1.910 1.00 0.00 C ATOM 2304 O ALA B 88 9.509 7.973 1.671 1.00 0.00 O ATOM 2305 CB ALA B 88 6.658 7.347 0.195 1.00 0.00 C ATOM 0 H ALA B 88 8.023 9.738 1.105 1.00 0.00 H new ATOM 0 HA ALA B 88 6.400 7.594 2.301 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.628 6.258 0.240 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.663 7.728 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.354 7.659 -0.584 1.00 0.00 H new ATOM 2311 N GLU B 89 8.490 6.152 2.491 1.00 0.00 N ATOM 2312 CA GLU B 89 9.736 5.515 2.888 1.00 0.00 C ATOM 2313 C GLU B 89 10.122 4.444 1.879 1.00 0.00 C ATOM 2314 O GLU B 89 9.281 3.645 1.468 1.00 0.00 O ATOM 2315 CB GLU B 89 9.597 4.891 4.278 1.00 0.00 C ATOM 2316 CG GLU B 89 9.159 5.865 5.353 1.00 0.00 C ATOM 2317 CD GLU B 89 9.139 5.230 6.725 1.00 0.00 C ATOM 2318 OE1 GLU B 89 8.216 4.440 7.010 1.00 0.00 O ATOM 2319 OE2 GLU B 89 10.056 5.516 7.525 1.00 0.00 O ATOM 0 H GLU B 89 7.651 5.611 2.699 1.00 0.00 H new ATOM 0 HA GLU B 89 10.517 6.274 2.919 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.877 4.074 4.227 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.554 4.455 4.566 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.833 6.722 5.361 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.165 6.243 5.115 1.00 0.00 H new ATOM 2326 N VAL B 90 11.386 4.437 1.479 1.00 0.00 N ATOM 2327 CA VAL B 90 11.874 3.495 0.480 1.00 0.00 C ATOM 2328 C VAL B 90 12.609 2.337 1.145 1.00 0.00 C ATOM 2329 O VAL B 90 13.510 2.551 1.958 1.00 0.00 O ATOM 2330 CB VAL B 90 12.817 4.189 -0.526 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.296 3.213 -1.588 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.125 5.379 -1.167 1.00 0.00 C ATOM 0 H VAL B 90 12.096 5.077 1.833 1.00 0.00 H new ATOM 0 HA VAL B 90 11.007 3.111 -0.057 1.00 0.00 H new ATOM 0 HB VAL B 90 13.690 4.547 0.019 1.00 0.00 H new ATOM 0 HG11 VAL B 90 13.959 3.728 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.835 2.394 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.438 2.816 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL B 90 12.803 5.857 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.232 5.041 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL B 90 11.842 6.094 -0.395 1.00 0.00 H new ATOM 2342 N TYR B 91 12.225 1.116 0.796 1.00 0.00 N ATOM 2343 CA TYR B 91 12.801 -0.075 1.404 1.00 0.00 C ATOM 2344 C TYR B 91 13.387 -1.012 0.356 1.00 0.00 C ATOM 2345 O TYR B 91 12.796 -1.243 -0.702 1.00 0.00 O ATOM 2346 CB TYR B 91 11.743 -0.819 2.223 1.00 0.00 C ATOM 2347 CG TYR B 91 11.275 -0.055 3.440 1.00 0.00 C ATOM 2348 CD1 TYR B 91 10.246 0.872 3.349 1.00 0.00 C ATOM 2349 CD2 TYR B 91 11.872 -0.255 4.676 1.00 0.00 C ATOM 2350 CE1 TYR B 91 9.827 1.578 4.457 1.00 0.00 C ATOM 2351 CE2 TYR B 91 11.460 0.449 5.788 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.436 1.364 5.675 1.00 0.00 C ATOM 2353 OH TYR B 91 10.032 2.078 6.778 1.00 0.00 O ATOM 0 H TYR B 91 11.513 0.925 0.091 1.00 0.00 H new ATOM 0 HA TYR B 91 13.608 0.251 2.060 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.885 -1.032 1.585 1.00 0.00 H new ATOM 0 HB3 TYR B 91 12.150 -1.779 2.541 1.00 0.00 H new ATOM 0 HD1 TYR B 91 9.766 1.043 2.397 1.00 0.00 H new ATOM 0 HD2 TYR B 91 12.673 -0.974 4.769 1.00 0.00 H new ATOM 0 HE1 TYR B 91 9.025 2.296 4.371 1.00 0.00 H new ATOM 0 HE2 TYR B 91 11.938 0.284 6.743 1.00 0.00 H new ATOM 0 HH TYR B 91 9.248 2.619 6.548 1.00 0.00 H new ATOM 2363 N ASN B 92 14.557 -1.538 0.665 1.00 0.00 N ATOM 2364 CA ASN B 92 15.210 -2.539 -0.163 1.00 0.00 C ATOM 2365 C ASN B 92 15.096 -3.894 0.532 1.00 0.00 C ATOM 2366 O ASN B 92 14.868 -3.952 1.742 1.00 0.00 O ATOM 2367 CB ASN B 92 16.685 -2.162 -0.381 1.00 0.00 C ATOM 2368 CG ASN B 92 17.425 -3.108 -1.314 1.00 0.00 C ATOM 2369 OD1 ASN B 92 17.975 -4.117 -0.880 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.469 -2.778 -2.594 1.00 0.00 N ATOM 0 H ASN B 92 15.085 -1.283 1.500 1.00 0.00 H new ATOM 0 HA ASN B 92 14.728 -2.590 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.737 -1.151 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN B 92 17.193 -2.145 0.583 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.972 -3.369 -3.256 1.00 0.00 H new ATOM 0 HD22 ASN B 92 17.000 -1.932 -2.919 1.00 0.00 H new ATOM 2377 N ASP B 93 15.244 -4.971 -0.222 1.00 0.00 N ATOM 2378 CA ASP B 93 15.127 -6.316 0.332 1.00 0.00 C ATOM 2379 C ASP B 93 16.332 -6.625 1.223 1.00 0.00 C ATOM 2380 O ASP B 93 17.355 -5.938 1.157 1.00 0.00 O ATOM 2381 CB ASP B 93 15.035 -7.334 -0.813 1.00 0.00 C ATOM 2382 CG ASP B 93 14.563 -8.704 -0.362 1.00 0.00 C ATOM 2383 OD1 ASP B 93 15.409 -9.533 0.039 1.00 0.00 O ATOM 2384 OD2 ASP B 93 13.342 -8.966 -0.431 1.00 0.00 O ATOM 0 H ASP B 93 15.446 -4.943 -1.221 1.00 0.00 H new ATOM 0 HA ASP B 93 14.224 -6.379 0.939 1.00 0.00 H new ATOM 0 HB2 ASP B 93 14.352 -6.954 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP B 93 16.014 -7.431 -1.283 1.00 0.00 H new ATOM 2389 N ALA B 94 16.221 -7.654 2.052 1.00 0.00 N ATOM 2390 CA ALA B 94 17.321 -8.073 2.920 1.00 0.00 C ATOM 2391 C ALA B 94 18.371 -8.862 2.135 1.00 0.00 C ATOM 2392 O ALA B 94 19.168 -9.607 2.706 1.00 0.00 O ATOM 2393 CB ALA B 94 16.785 -8.907 4.076 1.00 0.00 C ATOM 0 H ALA B 94 15.377 -8.219 2.144 1.00 0.00 H new ATOM 0 HA ALA B 94 17.801 -7.180 3.319 1.00 0.00 H new ATOM 0 HB1 ALA B 94 17.611 -9.214 4.717 1.00 0.00 H new ATOM 0 HB2 ALA B 94 16.078 -8.314 4.656 1.00 0.00 H new ATOM 0 HB3 ALA B 94 16.282 -9.791 3.684 1.00 0.00 H new