USER MOD reduce.3.24.130724 H: found=0, std=0, add=1530, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -2.72! C(o=-3.7!,f=-7!) USER MOD Set 1.2: B 70 SER OG : rot -165:sc= -0.934 USER MOD Set 2.1: A 70 SER OG : rot 168:sc= -4.4! USER MOD Set 2.2: B 51 ASN : amide:sc= -5.39! C(o=-9.8!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.635! (180deg=0.411!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -5.87! C(o=-5.9!,f=-4.9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00483 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.022) USER MOD Single : A 19 HIS : no HE2:sc= -4.32 K(o=-4.3,f=-8.5!) USER MOD Single : A 28 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.45! K(o=-2.4!,f=-0.93) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -149:sc= -0.31 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= -0.363 (180deg=-0.381) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 14:sc= -0.44 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.068) USER MOD Single : A 65 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.014) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 85:sc= 0.00322 USER MOD Single : A 79 SER OG : rot 176:sc= 0.661 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 122:sc= -0.0482 (180deg=-0.443) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 169:sc= 0.749! (180deg=0.335!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0.0736 USER MOD Single : B 4 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0531) USER MOD Single : B 6 ASN : amide:sc= -6.56! C(o=-6.6!,f=-6.4!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -162:sc= -0.289 (180deg=-1.06) USER MOD Single : B 15 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.9!) USER MOD Single : B 19 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.8) USER MOD Single : B 28 ASN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : B 29 GLN : amide:sc= -2.4! K(o=-2.4!,f=-0.78) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.131 USER MOD Single : B 44 SER OG : rot -122:sc= 0.831 USER MOD Single : B 45 LYS NZ :NH3+ -171:sc= -1.14 (180deg=-1.22) USER MOD Single : B 50 TYR OH : rot -23:sc= 0.0115 USER MOD Single : B 52 SER OG : rot 63:sc= 0.164 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 GLN : amide:sc= -0.095 X(o=-0.095,f=-0.069) USER MOD Single : B 65 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.28) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 THR OG1 : rot -100:sc= -0.0397 USER MOD Single : B 79 SER OG : rot -172:sc= 0.0764 USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 158:sc= -0.0513 (180deg=-0.379) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.566 -2.240 -16.241 1.00 4.01 N ATOM 2 CA MET A 1 21.388 -1.016 -16.027 1.00 3.21 C ATOM 3 C MET A 1 21.122 -0.459 -14.627 1.00 2.18 C ATOM 4 O MET A 1 20.087 0.121 -14.366 1.00 2.40 O ATOM 5 CB MET A 1 21.016 0.037 -17.074 1.00 3.87 C ATOM 6 CG MET A 1 21.774 -0.244 -18.373 1.00 4.69 C ATOM 7 SD MET A 1 21.466 -1.949 -18.894 1.00 5.64 S ATOM 8 CE MET A 1 22.371 -1.875 -20.459 1.00 6.33 C ATOM 0 H1 MET A 1 20.696 -2.579 -17.216 1.00 4.01 H new ATOM 0 H2 MET A 1 20.865 -2.980 -15.574 1.00 4.01 H new ATOM 0 H3 MET A 1 19.563 -2.016 -16.083 1.00 4.01 H new ATOM 0 HA MET A 1 22.444 -1.267 -16.122 1.00 3.21 H new ATOM 0 HB2 MET A 1 19.942 0.020 -17.257 1.00 3.87 H new ATOM 0 HB3 MET A 1 21.261 1.033 -16.706 1.00 3.87 H new ATOM 0 HG2 MET A 1 21.453 0.449 -19.151 1.00 4.69 H new ATOM 0 HG3 MET A 1 22.842 -0.085 -18.225 1.00 4.69 H new ATOM 0 HE1 MET A 1 22.312 -2.841 -20.960 1.00 6.33 H new ATOM 0 HE2 MET A 1 21.932 -1.108 -21.097 1.00 6.33 H new ATOM 0 HE3 MET A 1 23.415 -1.631 -20.264 1.00 6.33 H new ATOM 20 N THR A 2 22.047 -0.633 -13.724 1.00 1.58 N ATOM 21 CA THR A 2 21.844 -0.114 -12.343 1.00 1.09 C ATOM 22 C THR A 2 22.112 1.389 -12.316 1.00 0.90 C ATOM 23 O THR A 2 23.245 1.826 -12.322 1.00 1.71 O ATOM 24 CB THR A 2 22.806 -0.820 -11.385 1.00 1.87 C ATOM 25 OG1 THR A 2 24.004 -1.145 -12.075 1.00 2.53 O ATOM 26 CG2 THR A 2 22.156 -2.099 -10.854 1.00 2.32 C ATOM 0 H THR A 2 22.934 -1.112 -13.883 1.00 1.58 H new ATOM 0 HA THR A 2 20.816 -0.305 -12.033 1.00 1.09 H new ATOM 0 HB THR A 2 23.036 -0.160 -10.549 1.00 1.87 H new ATOM 0 HG1 THR A 2 24.622 -1.596 -11.463 1.00 2.53 H new ATOM 0 HG21 THR A 2 22.843 -2.600 -10.172 1.00 2.32 H new ATOM 0 HG22 THR A 2 21.237 -1.847 -10.324 1.00 2.32 H new ATOM 0 HG23 THR A 2 21.924 -2.762 -11.687 1.00 2.32 H new ATOM 34 N GLU A 3 21.077 2.181 -12.271 1.00 0.79 N ATOM 35 CA GLU A 3 21.262 3.658 -12.226 1.00 0.55 C ATOM 36 C GLU A 3 19.941 4.307 -11.823 1.00 0.53 C ATOM 37 O GLU A 3 19.881 5.142 -10.946 1.00 0.58 O ATOM 38 CB GLU A 3 21.665 4.159 -13.609 1.00 0.66 C ATOM 39 CG GLU A 3 23.094 4.686 -13.566 1.00 1.13 C ATOM 40 CD GLU A 3 23.467 5.263 -14.933 1.00 1.17 C ATOM 41 OE1 GLU A 3 23.035 4.702 -15.927 1.00 1.60 O ATOM 42 OE2 GLU A 3 24.176 6.255 -14.963 1.00 1.75 O ATOM 0 H GLU A 3 20.107 1.867 -12.263 1.00 0.79 H new ATOM 0 HA GLU A 3 22.039 3.913 -11.505 1.00 0.55 H new ATOM 0 HB2 GLU A 3 21.586 3.351 -14.337 1.00 0.66 H new ATOM 0 HB3 GLU A 3 20.986 4.947 -13.933 1.00 0.66 H new ATOM 0 HG2 GLU A 3 23.187 5.454 -12.798 1.00 1.13 H new ATOM 0 HG3 GLU A 3 23.781 3.883 -13.299 1.00 1.13 H new ATOM 49 N LYS A 4 18.879 3.928 -12.471 1.00 0.59 N ATOM 50 CA LYS A 4 17.553 4.514 -12.132 1.00 0.59 C ATOM 51 C LYS A 4 16.436 3.552 -12.565 1.00 0.59 C ATOM 52 O LYS A 4 15.513 3.913 -13.268 1.00 0.89 O ATOM 53 CB LYS A 4 17.379 5.895 -12.804 1.00 0.54 C ATOM 54 CG LYS A 4 18.541 6.196 -13.748 1.00 1.07 C ATOM 55 CD LYS A 4 18.163 7.369 -14.654 1.00 1.12 C ATOM 56 CE LYS A 4 17.480 6.839 -15.918 1.00 1.71 C ATOM 57 NZ LYS A 4 18.516 6.443 -16.914 1.00 2.24 N ATOM 0 H LYS A 4 18.870 3.237 -13.222 1.00 0.59 H new ATOM 0 HA LYS A 4 17.495 4.658 -11.053 1.00 0.59 H new ATOM 0 HB2 LYS A 4 16.441 5.918 -13.358 1.00 0.54 H new ATOM 0 HB3 LYS A 4 17.317 6.670 -12.040 1.00 0.54 H new ATOM 0 HG2 LYS A 4 19.437 6.437 -13.176 1.00 1.07 H new ATOM 0 HG3 LYS A 4 18.774 5.317 -14.349 1.00 1.07 H new ATOM 0 HD2 LYS A 4 17.496 8.050 -14.126 1.00 1.12 H new ATOM 0 HD3 LYS A 4 19.054 7.938 -14.920 1.00 1.12 H new ATOM 0 HE2 LYS A 4 16.850 5.984 -15.673 1.00 1.71 H new ATOM 0 HE3 LYS A 4 16.828 7.604 -16.340 1.00 1.71 H new ATOM 0 HZ1 LYS A 4 18.052 6.083 -17.773 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 19.099 7.270 -17.156 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 19.120 5.700 -16.509 1.00 2.24 H new ATOM 71 N LEU A 5 16.498 2.324 -12.131 1.00 0.58 N ATOM 72 CA LEU A 5 15.423 1.363 -12.513 1.00 0.62 C ATOM 73 C LEU A 5 15.590 0.050 -11.741 1.00 0.75 C ATOM 74 O LEU A 5 15.600 -1.020 -12.317 1.00 1.54 O ATOM 75 CB LEU A 5 15.491 1.078 -14.017 1.00 0.73 C ATOM 76 CG LEU A 5 14.103 0.682 -14.526 1.00 1.02 C ATOM 77 CD1 LEU A 5 13.359 1.931 -14.999 1.00 1.39 C ATOM 78 CD2 LEU A 5 14.248 -0.297 -15.693 1.00 1.67 C ATOM 0 H LEU A 5 17.236 1.947 -11.536 1.00 0.58 H new ATOM 0 HA LEU A 5 14.457 1.804 -12.268 1.00 0.62 H new ATOM 0 HB2 LEU A 5 15.847 1.960 -14.549 1.00 0.73 H new ATOM 0 HB3 LEU A 5 16.204 0.278 -14.214 1.00 0.73 H new ATOM 0 HG LEU A 5 13.542 0.207 -13.721 1.00 1.02 H new ATOM 0 HD11 LEU A 5 12.370 1.650 -15.362 1.00 1.39 H new ATOM 0 HD12 LEU A 5 13.256 2.629 -14.169 1.00 1.39 H new ATOM 0 HD13 LEU A 5 13.920 2.405 -15.804 1.00 1.39 H new ATOM 0 HD21 LEU A 5 13.260 -0.579 -16.056 1.00 1.67 H new ATOM 0 HD22 LEU A 5 14.808 0.178 -16.498 1.00 1.67 H new ATOM 0 HD23 LEU A 5 14.779 -1.187 -15.357 1.00 1.67 H new ATOM 90 N ASN A 6 15.743 0.119 -10.451 1.00 0.26 N ATOM 91 CA ASN A 6 15.936 -1.125 -9.654 1.00 0.26 C ATOM 92 C ASN A 6 14.603 -1.665 -9.152 1.00 0.24 C ATOM 93 O ASN A 6 13.982 -1.087 -8.288 1.00 0.26 O ATOM 94 CB ASN A 6 16.793 -0.801 -8.439 1.00 0.35 C ATOM 95 CG ASN A 6 18.262 -1.111 -8.730 1.00 0.93 C ATOM 96 OD1 ASN A 6 18.653 -1.261 -9.871 1.00 1.72 O ATOM 97 ND2 ASN A 6 19.100 -1.214 -7.735 1.00 1.39 N ATOM 0 H ASN A 6 15.743 0.984 -9.911 1.00 0.26 H new ATOM 0 HA ASN A 6 16.411 -1.871 -10.292 1.00 0.26 H new ATOM 0 HB2 ASN A 6 16.681 0.251 -8.176 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.454 -1.382 -7.581 1.00 0.35 H new ATOM 0 HD21 ASN A 6 20.083 -1.420 -7.915 1.00 1.39 H new ATOM 0 HD22 ASN A 6 18.772 -1.088 -6.777 1.00 1.39 H new ATOM 104 N GLU A 7 14.173 -2.787 -9.647 1.00 0.25 N ATOM 105 CA GLU A 7 12.902 -3.361 -9.143 1.00 0.28 C ATOM 106 C GLU A 7 13.245 -4.303 -7.994 1.00 0.28 C ATOM 107 O GLU A 7 13.963 -5.268 -8.172 1.00 0.30 O ATOM 108 CB GLU A 7 12.192 -4.111 -10.267 1.00 0.35 C ATOM 109 CG GLU A 7 12.950 -5.397 -10.597 1.00 0.44 C ATOM 110 CD GLU A 7 12.608 -5.838 -12.021 1.00 0.75 C ATOM 111 OE1 GLU A 7 13.270 -5.380 -12.936 1.00 1.12 O ATOM 112 OE2 GLU A 7 11.690 -6.628 -12.170 1.00 1.44 O ATOM 0 H GLU A 7 14.643 -3.328 -10.373 1.00 0.25 H new ATOM 0 HA GLU A 7 12.232 -2.576 -8.792 1.00 0.28 H new ATOM 0 HB2 GLU A 7 11.170 -4.347 -9.969 1.00 0.35 H new ATOM 0 HB3 GLU A 7 12.128 -3.479 -11.153 1.00 0.35 H new ATOM 0 HG2 GLU A 7 14.024 -5.233 -10.503 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.684 -6.181 -9.888 1.00 0.44 H new ATOM 119 N ILE A 8 12.778 -4.001 -6.805 1.00 0.28 N ATOM 120 CA ILE A 8 13.133 -4.866 -5.625 1.00 0.31 C ATOM 121 C ILE A 8 11.890 -5.425 -4.927 1.00 0.28 C ATOM 122 O ILE A 8 10.846 -4.813 -4.893 1.00 0.28 O ATOM 123 CB ILE A 8 13.935 -4.038 -4.618 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.005 -3.236 -5.358 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.608 -4.971 -3.607 1.00 0.56 C ATOM 126 CD1 ILE A 8 15.847 -2.454 -4.349 1.00 1.11 C ATOM 0 H ILE A 8 12.174 -3.205 -6.598 1.00 0.28 H new ATOM 0 HA ILE A 8 13.720 -5.707 -5.995 1.00 0.31 H new ATOM 0 HB ILE A 8 13.265 -3.357 -4.093 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.641 -3.906 -5.937 1.00 0.42 H new ATOM 0 HG13 ILE A 8 14.537 -2.551 -6.065 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.179 -4.380 -2.891 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.847 -5.545 -3.079 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.278 -5.653 -4.131 1.00 0.56 H new ATOM 0 HD11 ILE A 8 16.610 -1.882 -4.877 1.00 1.11 H new ATOM 0 HD12 ILE A 8 15.205 -1.773 -3.790 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.327 -3.149 -3.660 1.00 1.11 H new ATOM 138 N VAL A 9 12.018 -6.605 -4.377 1.00 0.28 N ATOM 139 CA VAL A 9 10.878 -7.252 -3.665 1.00 0.27 C ATOM 140 C VAL A 9 11.178 -7.325 -2.163 1.00 0.24 C ATOM 141 O VAL A 9 12.220 -7.786 -1.743 1.00 0.25 O ATOM 142 CB VAL A 9 10.676 -8.667 -4.213 1.00 0.30 C ATOM 143 CG1 VAL A 9 11.943 -9.493 -3.977 1.00 1.35 C ATOM 144 CG2 VAL A 9 9.498 -9.329 -3.496 1.00 1.27 C ATOM 0 H VAL A 9 12.877 -7.155 -4.392 1.00 0.28 H new ATOM 0 HA VAL A 9 9.974 -6.664 -3.823 1.00 0.27 H new ATOM 0 HB VAL A 9 10.469 -8.615 -5.282 1.00 0.30 H new ATOM 0 HG11 VAL A 9 11.799 -10.500 -4.367 1.00 1.35 H new ATOM 0 HG12 VAL A 9 12.784 -9.023 -4.487 1.00 1.35 H new ATOM 0 HG13 VAL A 9 12.150 -9.544 -2.908 1.00 1.35 H new ATOM 0 HG21 VAL A 9 9.354 -10.337 -3.886 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.705 -9.380 -2.427 1.00 1.27 H new ATOM 0 HG23 VAL A 9 8.594 -8.743 -3.663 1.00 1.27 H new ATOM 154 N VAL A 10 10.268 -6.854 -1.363 1.00 0.23 N ATOM 155 CA VAL A 10 10.491 -6.872 0.113 1.00 0.22 C ATOM 156 C VAL A 10 9.989 -8.203 0.659 1.00 0.20 C ATOM 157 O VAL A 10 9.281 -8.927 -0.014 1.00 0.20 O ATOM 158 CB VAL A 10 9.721 -5.717 0.770 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.268 -6.136 0.993 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.347 -5.375 2.124 1.00 0.39 C ATOM 0 H VAL A 10 9.378 -6.456 -1.663 1.00 0.23 H new ATOM 0 HA VAL A 10 11.552 -6.754 0.332 1.00 0.22 H new ATOM 0 HB VAL A 10 9.765 -4.846 0.116 1.00 0.23 H new ATOM 0 HG11 VAL A 10 7.721 -5.317 1.459 1.00 0.33 H new ATOM 0 HG12 VAL A 10 7.809 -6.381 0.035 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.237 -7.010 1.644 1.00 0.33 H new ATOM 0 HG21 VAL A 10 9.795 -4.555 2.583 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.307 -6.249 2.774 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.386 -5.077 1.980 1.00 0.39 H new ATOM 170 N ARG A 11 10.361 -8.543 1.866 1.00 0.20 N ATOM 171 CA ARG A 11 9.916 -9.840 2.447 1.00 0.19 C ATOM 172 C ARG A 11 9.518 -9.644 3.903 1.00 0.22 C ATOM 173 O ARG A 11 9.682 -8.585 4.473 1.00 0.22 O ATOM 174 CB ARG A 11 11.048 -10.872 2.384 1.00 0.20 C ATOM 175 CG ARG A 11 12.067 -10.477 1.317 1.00 0.30 C ATOM 176 CD ARG A 11 13.030 -11.642 1.084 1.00 0.34 C ATOM 177 NE ARG A 11 12.462 -12.558 0.055 1.00 1.17 N ATOM 178 CZ ARG A 11 13.224 -13.450 -0.517 1.00 1.42 C ATOM 179 NH1 ARG A 11 14.482 -13.544 -0.182 1.00 1.51 N ATOM 180 NH2 ARG A 11 12.727 -14.249 -1.422 1.00 2.27 N ATOM 0 H ARG A 11 10.954 -7.977 2.473 1.00 0.20 H new ATOM 0 HA ARG A 11 9.064 -10.199 1.870 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.538 -10.944 3.355 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.639 -11.857 2.159 1.00 0.20 H new ATOM 0 HG2 ARG A 11 11.558 -10.220 0.388 1.00 0.30 H new ATOM 0 HG3 ARG A 11 12.618 -9.592 1.634 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.999 -11.266 0.757 1.00 0.34 H new ATOM 0 HD3 ARG A 11 13.196 -12.183 2.016 1.00 0.34 H new ATOM 0 HE ARG A 11 11.478 -12.488 -0.202 1.00 1.17 H new ATOM 0 HH11 ARG A 11 14.869 -12.921 0.526 1.00 1.51 H new ATOM 0 HH12 ARG A 11 15.078 -14.241 -0.629 1.00 1.51 H new ATOM 0 HH21 ARG A 11 11.743 -14.176 -1.682 1.00 2.27 H new ATOM 0 HH22 ARG A 11 13.322 -14.946 -1.869 1.00 2.27 H new ATOM 194 N LYS A 12 9.012 -10.679 4.501 1.00 0.27 N ATOM 195 CA LYS A 12 8.602 -10.618 5.928 1.00 0.32 C ATOM 196 C LYS A 12 9.579 -11.446 6.737 1.00 0.35 C ATOM 197 O LYS A 12 9.576 -11.431 7.952 1.00 0.43 O ATOM 198 CB LYS A 12 7.220 -11.225 6.070 1.00 0.35 C ATOM 199 CG LYS A 12 7.270 -12.685 5.603 1.00 0.38 C ATOM 200 CD LYS A 12 7.255 -13.638 6.804 1.00 1.05 C ATOM 201 CE LYS A 12 7.037 -15.066 6.307 1.00 1.03 C ATOM 202 NZ LYS A 12 7.905 -16.000 7.077 1.00 1.78 N ATOM 0 H LYS A 12 8.862 -11.583 4.054 1.00 0.27 H new ATOM 0 HA LYS A 12 8.592 -9.585 6.276 1.00 0.32 H new ATOM 0 HB2 LYS A 12 6.889 -11.172 7.107 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.499 -10.664 5.476 1.00 0.35 H new ATOM 0 HG2 LYS A 12 6.419 -12.894 4.955 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.170 -12.852 5.011 1.00 0.38 H new ATOM 0 HD2 LYS A 12 8.196 -13.570 7.350 1.00 1.05 H new ATOM 0 HD3 LYS A 12 6.463 -13.356 7.498 1.00 1.05 H new ATOM 0 HE2 LYS A 12 5.990 -15.347 6.423 1.00 1.03 H new ATOM 0 HE3 LYS A 12 7.268 -15.131 5.244 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 7.756 -16.972 6.738 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 8.902 -15.736 6.944 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 7.664 -15.945 8.087 1.00 1.78 H new ATOM 216 N THR A 13 10.432 -12.155 6.064 1.00 0.34 N ATOM 217 CA THR A 13 11.435 -12.973 6.779 1.00 0.44 C ATOM 218 C THR A 13 12.670 -12.106 6.977 1.00 0.58 C ATOM 219 O THR A 13 13.557 -12.413 7.749 1.00 1.08 O ATOM 220 CB THR A 13 11.798 -14.195 5.933 1.00 0.48 C ATOM 221 OG1 THR A 13 12.985 -14.787 6.444 1.00 1.24 O ATOM 222 CG2 THR A 13 12.024 -13.760 4.483 1.00 1.01 C ATOM 0 H THR A 13 10.477 -12.202 5.046 1.00 0.34 H new ATOM 0 HA THR A 13 11.044 -13.316 7.737 1.00 0.44 H new ATOM 0 HB THR A 13 10.986 -14.921 5.971 1.00 0.48 H new ATOM 0 HG1 THR A 13 13.218 -15.571 5.904 1.00 1.24 H new ATOM 0 HG21 THR A 13 12.283 -14.629 3.878 1.00 1.01 H new ATOM 0 HG22 THR A 13 11.113 -13.305 4.093 1.00 1.01 H new ATOM 0 HG23 THR A 13 12.837 -13.035 4.443 1.00 1.01 H new ATOM 230 N LYS A 14 12.697 -10.996 6.298 1.00 0.35 N ATOM 231 CA LYS A 14 13.821 -10.041 6.430 1.00 0.43 C ATOM 232 C LYS A 14 13.448 -9.061 7.552 1.00 0.57 C ATOM 233 O LYS A 14 13.038 -9.467 8.621 1.00 1.34 O ATOM 234 CB LYS A 14 13.987 -9.327 5.069 1.00 0.39 C ATOM 235 CG LYS A 14 15.462 -9.006 4.760 1.00 0.60 C ATOM 236 CD LYS A 14 15.827 -9.557 3.377 1.00 0.86 C ATOM 237 CE LYS A 14 15.918 -11.082 3.435 1.00 1.06 C ATOM 238 NZ LYS A 14 17.350 -11.491 3.462 1.00 1.41 N ATOM 0 H LYS A 14 11.970 -10.707 5.644 1.00 0.35 H new ATOM 0 HA LYS A 14 14.766 -10.522 6.682 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.580 -9.956 4.278 1.00 0.39 H new ATOM 0 HB3 LYS A 14 13.408 -8.403 5.071 1.00 0.39 H new ATOM 0 HG2 LYS A 14 15.624 -7.929 4.788 1.00 0.60 H new ATOM 0 HG3 LYS A 14 16.108 -9.446 5.520 1.00 0.60 H new ATOM 0 HD2 LYS A 14 15.077 -9.256 2.646 1.00 0.86 H new ATOM 0 HD3 LYS A 14 16.778 -9.139 3.048 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.405 -11.455 4.322 1.00 1.06 H new ATOM 0 HE3 LYS A 14 15.419 -11.520 2.571 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 17.414 -12.528 3.501 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 17.825 -11.147 2.603 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 17.812 -11.084 4.300 1.00 1.41 H new ATOM 252 N ASN A 15 13.564 -7.786 7.324 1.00 0.43 N ATOM 253 CA ASN A 15 13.190 -6.809 8.381 1.00 0.33 C ATOM 254 C ASN A 15 12.982 -5.441 7.739 1.00 0.24 C ATOM 255 O ASN A 15 13.517 -5.147 6.688 1.00 0.24 O ATOM 256 CB ASN A 15 14.299 -6.726 9.431 1.00 0.47 C ATOM 257 CG ASN A 15 13.827 -7.395 10.725 1.00 0.56 C ATOM 258 OD1 ASN A 15 14.317 -8.445 11.092 1.00 1.23 O ATOM 259 ND2 ASN A 15 12.891 -6.829 11.437 1.00 1.25 N ATOM 0 H ASN A 15 13.901 -7.377 6.452 1.00 0.43 H new ATOM 0 HA ASN A 15 12.270 -7.131 8.868 1.00 0.33 H new ATOM 0 HB2 ASN A 15 15.200 -7.216 9.063 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.558 -5.684 9.621 1.00 0.47 H new ATOM 0 HD21 ASN A 15 12.571 -7.268 12.301 1.00 1.25 H new ATOM 0 HD22 ASN A 15 12.479 -5.948 11.130 1.00 1.25 H new ATOM 266 N VAL A 16 12.202 -4.604 8.359 1.00 0.24 N ATOM 267 CA VAL A 16 11.957 -3.259 7.774 1.00 0.22 C ATOM 268 C VAL A 16 13.278 -2.500 7.713 1.00 0.23 C ATOM 269 O VAL A 16 13.569 -1.777 6.772 1.00 0.25 O ATOM 270 CB VAL A 16 10.955 -2.475 8.635 1.00 0.29 C ATOM 271 CG1 VAL A 16 9.556 -3.065 8.464 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.357 -2.551 10.113 1.00 0.49 C ATOM 0 H VAL A 16 11.725 -4.791 9.241 1.00 0.24 H new ATOM 0 HA VAL A 16 11.542 -3.373 6.773 1.00 0.22 H new ATOM 0 HB VAL A 16 10.956 -1.433 8.314 1.00 0.29 H new ATOM 0 HG11 VAL A 16 8.848 -2.506 9.076 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.260 -3.001 7.417 1.00 0.31 H new ATOM 0 HG13 VAL A 16 9.561 -4.109 8.777 1.00 0.31 H new ATOM 0 HG21 VAL A 16 10.640 -1.992 10.714 1.00 0.49 H new ATOM 0 HG22 VAL A 16 11.366 -3.592 10.434 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.351 -2.123 10.242 1.00 0.49 H new ATOM 282 N GLU A 17 14.097 -2.678 8.702 1.00 0.27 N ATOM 283 CA GLU A 17 15.397 -1.983 8.700 1.00 0.33 C ATOM 284 C GLU A 17 16.318 -2.686 7.720 1.00 0.34 C ATOM 285 O GLU A 17 17.173 -2.078 7.121 1.00 0.37 O ATOM 286 CB GLU A 17 16.000 -1.989 10.112 1.00 0.39 C ATOM 287 CG GLU A 17 16.932 -3.191 10.300 1.00 0.86 C ATOM 288 CD GLU A 17 17.214 -3.385 11.791 1.00 1.03 C ATOM 289 OE1 GLU A 17 17.169 -2.403 12.514 1.00 1.56 O ATOM 290 OE2 GLU A 17 17.469 -4.511 12.184 1.00 1.41 O ATOM 0 H GLU A 17 13.920 -3.275 9.510 1.00 0.27 H new ATOM 0 HA GLU A 17 15.267 -0.945 8.396 1.00 0.33 H new ATOM 0 HB2 GLU A 17 16.553 -1.065 10.280 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.202 -2.023 10.853 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.474 -4.089 9.885 1.00 0.86 H new ATOM 0 HG3 GLU A 17 17.865 -3.030 9.760 1.00 0.86 H new ATOM 297 N ASP A 18 16.176 -3.970 7.552 1.00 0.35 N ATOM 298 CA ASP A 18 17.072 -4.691 6.625 1.00 0.38 C ATOM 299 C ASP A 18 16.847 -4.255 5.178 1.00 0.35 C ATOM 300 O ASP A 18 17.789 -4.231 4.408 1.00 0.34 O ATOM 301 CB ASP A 18 16.806 -6.186 6.763 1.00 0.46 C ATOM 302 CG ASP A 18 17.754 -6.970 5.853 1.00 0.66 C ATOM 303 OD1 ASP A 18 17.862 -6.614 4.692 1.00 1.38 O ATOM 304 OD2 ASP A 18 18.356 -7.915 6.336 1.00 1.27 O ATOM 0 H ASP A 18 15.476 -4.546 8.019 1.00 0.35 H new ATOM 0 HA ASP A 18 18.106 -4.460 6.880 1.00 0.38 H new ATOM 0 HB2 ASP A 18 16.944 -6.495 7.799 1.00 0.46 H new ATOM 0 HB3 ASP A 18 15.771 -6.406 6.500 1.00 0.46 H new ATOM 309 N HIS A 19 15.653 -3.882 4.764 1.00 0.34 N ATOM 310 CA HIS A 19 15.488 -3.440 3.350 1.00 0.33 C ATOM 311 C HIS A 19 15.714 -1.932 3.278 1.00 0.28 C ATOM 312 O HIS A 19 16.025 -1.397 2.234 1.00 0.27 O ATOM 313 CB HIS A 19 14.069 -3.753 2.861 1.00 0.36 C ATOM 314 CG HIS A 19 13.912 -5.235 2.671 1.00 0.53 C ATOM 315 ND1 HIS A 19 14.178 -5.856 1.458 1.00 1.22 N ATOM 316 CD2 HIS A 19 13.503 -6.233 3.521 1.00 1.43 C ATOM 317 CE1 HIS A 19 13.928 -7.170 1.612 1.00 1.27 C ATOM 318 NE2 HIS A 19 13.515 -7.449 2.849 1.00 1.40 N ATOM 0 H HIS A 19 14.808 -3.867 5.335 1.00 0.34 H new ATOM 0 HA HIS A 19 16.207 -3.965 2.722 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.337 -3.390 3.583 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.875 -3.234 1.922 1.00 0.36 H new ATOM 0 HD1 HIS A 19 14.503 -5.400 0.606 1.00 1.22 H new ATOM 0 HD2 HIS A 19 13.216 -6.094 4.553 1.00 1.43 H new ATOM 0 HE1 HIS A 19 14.047 -7.906 0.831 1.00 1.27 H new ATOM 327 N VAL A 20 15.628 -1.243 4.390 1.00 0.26 N ATOM 328 CA VAL A 20 15.915 0.215 4.346 1.00 0.24 C ATOM 329 C VAL A 20 17.432 0.319 4.205 1.00 0.23 C ATOM 330 O VAL A 20 17.973 1.209 3.579 1.00 0.22 O ATOM 331 CB VAL A 20 15.408 0.896 5.634 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.556 1.146 6.620 1.00 0.29 C ATOM 333 CG2 VAL A 20 14.763 2.232 5.274 1.00 0.29 C ATOM 0 H VAL A 20 15.377 -1.620 5.304 1.00 0.26 H new ATOM 0 HA VAL A 20 15.411 0.718 3.521 1.00 0.24 H new ATOM 0 HB VAL A 20 14.683 0.235 6.108 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.167 1.627 7.517 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.018 0.196 6.889 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.300 1.793 6.156 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.403 2.718 6.181 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.499 2.872 4.787 1.00 0.29 H new ATOM 0 HG23 VAL A 20 13.926 2.061 4.597 1.00 0.29 H new ATOM 343 N LEU A 21 18.101 -0.637 4.788 1.00 0.25 N ATOM 344 CA LEU A 21 19.586 -0.698 4.725 1.00 0.27 C ATOM 345 C LEU A 21 20.018 -1.040 3.297 1.00 0.27 C ATOM 346 O LEU A 21 20.815 -0.347 2.690 1.00 0.28 O ATOM 347 CB LEU A 21 20.080 -1.799 5.663 1.00 0.32 C ATOM 348 CG LEU A 21 20.084 -1.299 7.114 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.374 -2.469 8.054 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.159 -0.219 7.303 1.00 0.34 C ATOM 0 H LEU A 21 17.669 -1.395 5.317 1.00 0.25 H new ATOM 0 HA LEU A 21 20.005 0.264 5.020 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.439 -2.676 5.575 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.085 -2.108 5.375 1.00 0.32 H new ATOM 0 HG LEU A 21 19.107 -0.872 7.342 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.377 -2.115 9.085 1.00 0.41 H new ATOM 0 HD12 LEU A 21 19.604 -3.231 7.934 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.348 -2.896 7.814 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.150 0.126 8.337 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.138 -0.635 7.068 1.00 0.34 H new ATOM 0 HD23 LEU A 21 20.953 0.620 6.639 1.00 0.34 H new ATOM 362 N ASP A 22 19.492 -2.100 2.745 1.00 0.28 N ATOM 363 CA ASP A 22 19.874 -2.477 1.357 1.00 0.31 C ATOM 364 C ASP A 22 19.380 -1.406 0.381 1.00 0.29 C ATOM 365 O ASP A 22 19.956 -1.189 -0.667 1.00 0.31 O ATOM 366 CB ASP A 22 19.238 -3.821 1.001 1.00 0.36 C ATOM 367 CG ASP A 22 19.904 -4.383 -0.257 1.00 0.44 C ATOM 368 OD1 ASP A 22 21.101 -4.618 -0.215 1.00 1.22 O ATOM 369 OD2 ASP A 22 19.207 -4.568 -1.240 1.00 1.01 O ATOM 0 H ASP A 22 18.817 -2.718 3.195 1.00 0.28 H new ATOM 0 HA ASP A 22 20.959 -2.558 1.289 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.352 -4.520 1.829 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.168 -3.696 0.834 1.00 0.36 H new ATOM 374 N VAL A 23 18.312 -0.740 0.720 1.00 0.27 N ATOM 375 CA VAL A 23 17.775 0.315 -0.185 1.00 0.27 C ATOM 376 C VAL A 23 18.751 1.491 -0.213 1.00 0.26 C ATOM 377 O VAL A 23 19.204 1.911 -1.263 1.00 0.26 O ATOM 378 CB VAL A 23 16.412 0.791 0.327 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.056 2.126 -0.332 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.344 -0.247 -0.025 1.00 0.32 C ATOM 0 H VAL A 23 17.788 -0.880 1.584 1.00 0.27 H new ATOM 0 HA VAL A 23 17.656 -0.090 -1.190 1.00 0.27 H new ATOM 0 HB VAL A 23 16.456 0.918 1.409 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.086 2.464 0.032 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.816 2.868 -0.085 1.00 0.31 H new ATOM 0 HG13 VAL A 23 16.013 1.998 -1.414 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.374 0.091 0.339 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.302 -0.373 -1.107 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.595 -1.200 0.442 1.00 0.32 H new ATOM 390 N ILE A 24 19.089 2.022 0.928 1.00 0.25 N ATOM 391 CA ILE A 24 20.042 3.161 0.956 1.00 0.26 C ATOM 392 C ILE A 24 21.391 2.693 0.416 1.00 0.26 C ATOM 393 O ILE A 24 22.228 3.488 0.038 1.00 0.28 O ATOM 394 CB ILE A 24 20.192 3.679 2.394 1.00 0.30 C ATOM 395 CG1 ILE A 24 20.444 5.187 2.363 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.363 2.983 3.095 1.00 0.45 C ATOM 397 CD1 ILE A 24 20.737 5.686 3.780 1.00 0.58 C ATOM 0 H ILE A 24 18.747 1.717 1.839 1.00 0.25 H new ATOM 0 HA ILE A 24 19.667 3.974 0.334 1.00 0.26 H new ATOM 0 HB ILE A 24 19.276 3.465 2.944 1.00 0.30 H new ATOM 0 HG12 ILE A 24 21.284 5.412 1.706 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.574 5.703 1.957 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.455 3.362 4.113 1.00 0.45 H new ATOM 0 HG22 ILE A 24 21.184 1.908 3.123 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.285 3.183 2.549 1.00 0.45 H new ATOM 0 HD11 ILE A 24 20.917 6.761 3.757 1.00 0.58 H new ATOM 0 HD12 ILE A 24 19.884 5.474 4.424 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.620 5.179 4.169 1.00 0.58 H new ATOM 409 N VAL A 25 21.609 1.405 0.358 1.00 0.26 N ATOM 410 CA VAL A 25 22.903 0.902 -0.180 1.00 0.29 C ATOM 411 C VAL A 25 22.892 1.002 -1.710 1.00 0.29 C ATOM 412 O VAL A 25 23.845 1.451 -2.314 1.00 0.31 O ATOM 413 CB VAL A 25 23.101 -0.557 0.235 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.301 -1.150 -0.510 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.360 -0.627 1.742 1.00 0.36 C ATOM 0 H VAL A 25 20.951 0.686 0.658 1.00 0.26 H new ATOM 0 HA VAL A 25 23.719 1.504 0.219 1.00 0.29 H new ATOM 0 HB VAL A 25 22.204 -1.125 -0.012 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.438 -2.189 -0.211 1.00 0.41 H new ATOM 0 HG12 VAL A 25 24.122 -1.102 -1.584 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.198 -0.581 -0.266 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.501 -1.666 2.039 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.256 -0.055 1.984 1.00 0.36 H new ATOM 0 HG23 VAL A 25 22.507 -0.209 2.277 1.00 0.36 H new ATOM 425 N LEU A 26 21.838 0.571 -2.354 1.00 0.29 N ATOM 426 CA LEU A 26 21.790 0.632 -3.843 1.00 0.32 C ATOM 427 C LEU A 26 21.771 2.092 -4.315 1.00 0.32 C ATOM 428 O LEU A 26 22.332 2.436 -5.341 1.00 0.35 O ATOM 429 CB LEU A 26 20.523 -0.087 -4.310 1.00 0.36 C ATOM 430 CG LEU A 26 20.810 -1.583 -4.480 1.00 0.65 C ATOM 431 CD1 LEU A 26 19.489 -2.352 -4.504 1.00 0.49 C ATOM 432 CD2 LEU A 26 21.561 -1.835 -5.792 1.00 1.19 C ATOM 0 H LEU A 26 21.007 0.179 -1.911 1.00 0.29 H new ATOM 0 HA LEU A 26 22.673 0.151 -4.264 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.722 0.059 -3.585 1.00 0.36 H new ATOM 0 HB3 LEU A 26 20.180 0.337 -5.254 1.00 0.36 H new ATOM 0 HG LEU A 26 21.425 -1.921 -3.646 1.00 0.65 H new ATOM 0 HD11 LEU A 26 19.690 -3.417 -4.625 1.00 0.49 H new ATOM 0 HD12 LEU A 26 18.955 -2.187 -3.568 1.00 0.49 H new ATOM 0 HD13 LEU A 26 18.879 -2.001 -5.336 1.00 0.49 H new ATOM 0 HD21 LEU A 26 21.758 -2.902 -5.899 1.00 1.19 H new ATOM 0 HD22 LEU A 26 20.954 -1.492 -6.630 1.00 1.19 H new ATOM 0 HD23 LEU A 26 22.505 -1.291 -5.781 1.00 1.19 H new ATOM 444 N PHE A 27 21.162 2.961 -3.561 1.00 0.31 N ATOM 445 CA PHE A 27 21.155 4.399 -3.954 1.00 0.33 C ATOM 446 C PHE A 27 22.602 4.875 -3.908 1.00 0.34 C ATOM 447 O PHE A 27 23.002 5.810 -4.572 1.00 0.37 O ATOM 448 CB PHE A 27 20.314 5.204 -2.965 1.00 0.35 C ATOM 449 CG PHE A 27 20.815 6.628 -2.924 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.601 7.476 -4.019 1.00 1.38 C ATOM 451 CD2 PHE A 27 21.495 7.101 -1.796 1.00 1.19 C ATOM 452 CE1 PHE A 27 21.065 8.796 -3.983 1.00 1.46 C ATOM 453 CE2 PHE A 27 21.960 8.422 -1.761 1.00 1.22 C ATOM 454 CZ PHE A 27 21.745 9.269 -2.855 1.00 0.71 C ATOM 0 H PHE A 27 20.671 2.742 -2.694 1.00 0.31 H new ATOM 0 HA PHE A 27 20.729 4.531 -4.948 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.265 5.184 -3.262 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.373 4.757 -1.972 1.00 0.35 H new ATOM 0 HD1 PHE A 27 20.078 7.111 -4.891 1.00 1.38 H new ATOM 0 HD2 PHE A 27 21.661 6.448 -0.952 1.00 1.19 H new ATOM 0 HE1 PHE A 27 20.898 9.450 -4.826 1.00 1.46 H new ATOM 0 HE2 PHE A 27 22.484 8.787 -0.890 1.00 1.22 H new ATOM 0 HZ PHE A 27 22.104 10.287 -2.828 1.00 0.71 H new ATOM 464 N ASN A 28 23.379 4.200 -3.116 1.00 0.33 N ATOM 465 CA ASN A 28 24.820 4.548 -2.986 1.00 0.36 C ATOM 466 C ASN A 28 25.517 4.338 -4.332 1.00 0.38 C ATOM 467 O ASN A 28 26.504 4.980 -4.631 1.00 0.41 O ATOM 468 CB ASN A 28 25.470 3.662 -1.928 1.00 0.35 C ATOM 469 CG ASN A 28 26.526 4.463 -1.165 1.00 0.39 C ATOM 470 OD1 ASN A 28 26.508 4.512 0.049 1.00 1.15 O ATOM 471 ND2 ASN A 28 27.453 5.097 -1.829 1.00 0.98 N ATOM 0 H ASN A 28 23.075 3.411 -2.545 1.00 0.33 H new ATOM 0 HA ASN A 28 24.915 5.592 -2.686 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.714 3.288 -1.238 1.00 0.35 H new ATOM 0 HB3 ASN A 28 25.929 2.793 -2.399 1.00 0.35 H new ATOM 0 HD21 ASN A 28 28.162 5.633 -1.329 1.00 0.98 H new ATOM 0 HD22 ASN A 28 27.469 5.056 -2.848 1.00 0.98 H new ATOM 478 N GLN A 29 25.018 3.448 -5.155 1.00 0.38 N ATOM 479 CA GLN A 29 25.667 3.214 -6.475 1.00 0.40 C ATOM 480 C GLN A 29 25.051 4.154 -7.514 1.00 0.43 C ATOM 481 O GLN A 29 25.487 4.215 -8.646 1.00 0.51 O ATOM 482 CB GLN A 29 25.445 1.760 -6.901 1.00 0.40 C ATOM 483 CG GLN A 29 25.839 0.829 -5.753 1.00 0.38 C ATOM 484 CD GLN A 29 25.583 -0.623 -6.162 1.00 0.40 C ATOM 485 OE1 GLN A 29 26.394 -1.491 -5.905 1.00 1.17 O ATOM 486 NE2 GLN A 29 24.480 -0.927 -6.788 1.00 1.10 N ATOM 0 H GLN A 29 24.193 2.878 -4.968 1.00 0.38 H new ATOM 0 HA GLN A 29 26.737 3.408 -6.398 1.00 0.40 H new ATOM 0 HB2 GLN A 29 24.400 1.603 -7.169 1.00 0.40 H new ATOM 0 HB3 GLN A 29 26.038 1.534 -7.787 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.891 0.967 -5.503 1.00 0.38 H new ATOM 0 HG3 GLN A 29 25.264 1.073 -4.859 1.00 0.38 H new ATOM 0 HE21 GLN A 29 23.799 -0.199 -7.004 1.00 1.10 H new ATOM 0 HE22 GLN A 29 24.298 -1.893 -7.062 1.00 1.10 H new ATOM 495 N GLY A 30 24.048 4.893 -7.119 1.00 0.39 N ATOM 496 CA GLY A 30 23.395 5.856 -8.056 1.00 0.42 C ATOM 497 C GLY A 30 21.975 5.395 -8.389 1.00 0.37 C ATOM 498 O GLY A 30 21.350 5.914 -9.291 1.00 0.39 O ATOM 0 H GLY A 30 23.650 4.871 -6.180 1.00 0.39 H new ATOM 0 HA2 GLY A 30 23.366 6.848 -7.606 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.982 5.938 -8.971 1.00 0.42 H new ATOM 502 N ILE A 31 21.453 4.437 -7.673 1.00 0.33 N ATOM 503 CA ILE A 31 20.072 3.970 -7.968 1.00 0.31 C ATOM 504 C ILE A 31 19.087 5.012 -7.445 1.00 0.28 C ATOM 505 O ILE A 31 18.887 5.149 -6.255 1.00 0.30 O ATOM 506 CB ILE A 31 19.860 2.618 -7.286 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.867 1.620 -7.881 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.428 2.118 -7.488 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.679 1.460 -9.395 1.00 0.35 C ATOM 0 H ILE A 31 21.921 3.961 -6.902 1.00 0.33 H new ATOM 0 HA ILE A 31 19.915 3.848 -9.040 1.00 0.31 H new ATOM 0 HB ILE A 31 20.018 2.720 -6.212 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.882 1.960 -7.674 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.750 0.651 -7.395 1.00 0.35 H new ATOM 0 HG21 ILE A 31 18.306 1.155 -6.993 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.728 2.837 -7.062 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.229 2.006 -8.554 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.409 0.747 -9.779 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.673 1.095 -9.600 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.822 2.424 -9.883 1.00 0.35 H new ATOM 521 N ASP A 32 18.480 5.763 -8.328 1.00 0.26 N ATOM 522 CA ASP A 32 17.526 6.802 -7.878 1.00 0.27 C ATOM 523 C ASP A 32 16.122 6.223 -7.780 1.00 0.28 C ATOM 524 O ASP A 32 15.353 6.595 -6.916 1.00 0.45 O ATOM 525 CB ASP A 32 17.535 7.967 -8.869 1.00 0.30 C ATOM 526 CG ASP A 32 18.979 8.402 -9.130 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.527 9.103 -8.295 1.00 1.55 O ATOM 528 OD2 ASP A 32 19.512 8.026 -10.162 1.00 1.22 O ATOM 0 H ASP A 32 18.608 5.697 -9.338 1.00 0.26 H new ATOM 0 HA ASP A 32 17.828 7.158 -6.893 1.00 0.27 H new ATOM 0 HB2 ASP A 32 17.059 7.668 -9.803 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.958 8.802 -8.471 1.00 0.30 H new ATOM 533 N GLU A 33 15.773 5.345 -8.688 1.00 0.26 N ATOM 534 CA GLU A 33 14.410 4.765 -8.682 1.00 0.27 C ATOM 535 C GLU A 33 14.427 3.377 -8.069 1.00 0.23 C ATOM 536 O GLU A 33 15.353 2.610 -8.245 1.00 0.23 O ATOM 537 CB GLU A 33 13.867 4.677 -10.104 1.00 0.29 C ATOM 538 CG GLU A 33 14.298 5.917 -10.884 1.00 0.48 C ATOM 539 CD GLU A 33 13.153 6.382 -11.787 1.00 0.71 C ATOM 540 OE1 GLU A 33 12.044 6.501 -11.294 1.00 1.15 O ATOM 541 OE2 GLU A 33 13.406 6.612 -12.958 1.00 1.58 O ATOM 0 H GLU A 33 16.382 5.008 -9.434 1.00 0.26 H new ATOM 0 HA GLU A 33 13.767 5.414 -8.087 1.00 0.27 H new ATOM 0 HB2 GLU A 33 14.240 3.777 -10.593 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.780 4.603 -10.087 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.577 6.714 -10.194 1.00 0.48 H new ATOM 0 HG3 GLU A 33 15.180 5.693 -11.485 1.00 0.48 H new ATOM 548 N VAL A 34 13.404 3.056 -7.349 1.00 0.21 N ATOM 549 CA VAL A 34 13.347 1.720 -6.717 1.00 0.20 C ATOM 550 C VAL A 34 11.892 1.298 -6.521 1.00 0.19 C ATOM 551 O VAL A 34 11.028 2.102 -6.213 1.00 0.20 O ATOM 552 CB VAL A 34 14.093 1.760 -5.383 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.330 2.627 -4.393 1.00 0.54 C ATOM 554 CG2 VAL A 34 14.225 0.341 -4.827 1.00 0.43 C ATOM 0 H VAL A 34 12.602 3.660 -7.169 1.00 0.21 H new ATOM 0 HA VAL A 34 13.827 0.984 -7.363 1.00 0.20 H new ATOM 0 HB VAL A 34 15.086 2.182 -5.539 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.865 2.653 -3.444 1.00 0.54 H new ATOM 0 HG12 VAL A 34 13.243 3.639 -4.788 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.335 2.211 -4.237 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.757 0.371 -3.876 1.00 0.43 H new ATOM 0 HG22 VAL A 34 13.233 -0.084 -4.675 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.779 -0.277 -5.534 1.00 0.43 H new ATOM 564 N ILE A 35 11.630 0.034 -6.735 1.00 0.19 N ATOM 565 CA ILE A 35 10.238 -0.495 -6.605 1.00 0.19 C ATOM 566 C ILE A 35 10.186 -1.592 -5.553 1.00 0.19 C ATOM 567 O ILE A 35 10.918 -2.560 -5.619 1.00 0.20 O ATOM 568 CB ILE A 35 9.795 -1.053 -7.954 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.402 -0.177 -9.053 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.266 -1.036 -8.046 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.520 -0.219 -10.306 1.00 0.25 C ATOM 0 H ILE A 35 12.328 -0.662 -6.997 1.00 0.19 H new ATOM 0 HA ILE A 35 9.571 0.311 -6.298 1.00 0.19 H new ATOM 0 HB ILE A 35 10.133 -2.083 -8.069 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.497 0.850 -8.700 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.406 -0.525 -9.294 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.955 -1.435 -9.011 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.847 -1.648 -7.248 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.907 -0.012 -7.944 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.960 0.407 -11.082 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.448 -1.245 -10.666 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.524 0.151 -10.063 1.00 0.25 H new ATOM 583 N LEU A 36 9.303 -1.453 -4.593 1.00 0.21 N ATOM 584 CA LEU A 36 9.174 -2.493 -3.540 1.00 0.23 C ATOM 585 C LEU A 36 7.868 -3.259 -3.729 1.00 0.23 C ATOM 586 O LEU A 36 6.796 -2.688 -3.737 1.00 0.24 O ATOM 587 CB LEU A 36 9.206 -1.860 -2.145 1.00 0.24 C ATOM 588 CG LEU A 36 10.636 -1.944 -1.589 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.570 -1.062 -2.423 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.649 -1.470 -0.140 1.00 0.30 C ATOM 0 H LEU A 36 8.668 -0.660 -4.499 1.00 0.21 H new ATOM 0 HA LEU A 36 10.015 -3.180 -3.627 1.00 0.23 H new ATOM 0 HB2 LEU A 36 8.883 -0.820 -2.196 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.513 -2.377 -1.481 1.00 0.24 H new ATOM 0 HG LEU A 36 10.979 -2.978 -1.637 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.582 -1.125 -2.024 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.565 -1.404 -3.458 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.228 -0.028 -2.381 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.664 -1.530 0.253 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.302 -0.438 -0.092 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.991 -2.103 0.456 1.00 0.30 H new ATOM 602 N LYS A 37 7.963 -4.556 -3.829 1.00 0.23 N ATOM 603 CA LYS A 37 6.735 -5.395 -3.959 1.00 0.23 C ATOM 604 C LYS A 37 6.543 -6.145 -2.645 1.00 0.18 C ATOM 605 O LYS A 37 7.468 -6.730 -2.122 1.00 0.19 O ATOM 606 CB LYS A 37 6.866 -6.393 -5.106 1.00 0.31 C ATOM 607 CG LYS A 37 7.899 -5.902 -6.123 1.00 1.23 C ATOM 608 CD LYS A 37 7.982 -6.893 -7.286 1.00 1.52 C ATOM 609 CE LYS A 37 7.065 -6.430 -8.419 1.00 2.39 C ATOM 610 NZ LYS A 37 6.796 -7.573 -9.338 1.00 2.74 N ATOM 0 H LYS A 37 8.841 -5.074 -3.826 1.00 0.23 H new ATOM 0 HA LYS A 37 5.879 -4.756 -4.175 1.00 0.23 H new ATOM 0 HB2 LYS A 37 7.163 -7.367 -4.717 1.00 0.31 H new ATOM 0 HB3 LYS A 37 5.900 -6.526 -5.594 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.621 -4.915 -6.492 1.00 1.23 H new ATOM 0 HG3 LYS A 37 8.874 -5.801 -5.647 1.00 1.23 H new ATOM 0 HD2 LYS A 37 9.009 -6.966 -7.643 1.00 1.52 H new ATOM 0 HD3 LYS A 37 7.689 -7.888 -6.951 1.00 1.52 H new ATOM 0 HE2 LYS A 37 6.129 -6.049 -8.011 1.00 2.39 H new ATOM 0 HE3 LYS A 37 7.531 -5.611 -8.967 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 6.172 -7.259 -10.109 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 7.693 -7.917 -9.736 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 6.335 -8.341 -8.811 1.00 2.74 H new ATOM 624 N GLY A 38 5.355 -6.118 -2.107 1.00 0.18 N ATOM 625 CA GLY A 38 5.108 -6.820 -0.804 1.00 0.21 C ATOM 626 C GLY A 38 3.776 -7.565 -0.836 1.00 0.18 C ATOM 627 O GLY A 38 2.883 -7.210 -1.569 1.00 0.19 O ATOM 0 H GLY A 38 4.545 -5.644 -2.506 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.918 -7.522 -0.604 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.106 -6.095 0.010 1.00 0.21 H new ATOM 631 N THR A 39 3.660 -8.622 -0.063 1.00 0.20 N ATOM 632 CA THR A 39 2.403 -9.430 -0.078 1.00 0.25 C ATOM 633 C THR A 39 1.889 -9.730 1.335 1.00 0.23 C ATOM 634 O THR A 39 2.639 -10.022 2.235 1.00 0.22 O ATOM 635 CB THR A 39 2.689 -10.754 -0.785 1.00 0.28 C ATOM 636 OG1 THR A 39 3.449 -11.592 0.074 1.00 0.43 O ATOM 637 CG2 THR A 39 3.479 -10.485 -2.069 1.00 0.56 C ATOM 0 H THR A 39 4.382 -8.957 0.575 1.00 0.20 H new ATOM 0 HA THR A 39 1.637 -8.854 -0.596 1.00 0.25 H new ATOM 0 HB THR A 39 1.749 -11.246 -1.034 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.632 -12.443 -0.377 1.00 0.43 H new ATOM 0 HG21 THR A 39 3.684 -11.429 -2.575 1.00 0.56 H new ATOM 0 HG22 THR A 39 2.896 -9.840 -2.727 1.00 0.56 H new ATOM 0 HG23 THR A 39 4.420 -9.994 -1.821 1.00 0.56 H new ATOM 645 N GLY A 40 0.595 -9.655 1.511 1.00 0.27 N ATOM 646 CA GLY A 40 -0.029 -9.946 2.839 1.00 0.30 C ATOM 647 C GLY A 40 0.814 -9.386 3.987 1.00 0.29 C ATOM 648 O GLY A 40 0.561 -8.310 4.483 1.00 0.33 O ATOM 0 H GLY A 40 -0.068 -9.400 0.779 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -1.029 -9.514 2.875 1.00 0.30 H new ATOM 0 HA3 GLY A 40 -0.143 -11.023 2.961 1.00 0.30 H new ATOM 652 N ARG A 41 1.795 -10.122 4.431 1.00 0.27 N ATOM 653 CA ARG A 41 2.633 -9.640 5.562 1.00 0.28 C ATOM 654 C ARG A 41 3.705 -8.681 5.044 1.00 0.24 C ATOM 655 O ARG A 41 3.827 -7.571 5.521 1.00 0.25 O ATOM 656 CB ARG A 41 3.285 -10.835 6.267 1.00 0.31 C ATOM 657 CG ARG A 41 2.701 -12.142 5.721 1.00 0.64 C ATOM 658 CD ARG A 41 3.172 -13.312 6.584 1.00 0.92 C ATOM 659 NE ARG A 41 2.412 -13.322 7.865 1.00 1.69 N ATOM 660 CZ ARG A 41 1.160 -13.689 7.879 1.00 2.12 C ATOM 661 NH1 ARG A 41 0.575 -14.052 6.771 1.00 2.03 N ATOM 662 NH2 ARG A 41 0.493 -13.692 9.001 1.00 3.09 N ATOM 0 H ARG A 41 2.052 -11.036 4.059 1.00 0.27 H new ATOM 0 HA ARG A 41 2.004 -9.108 6.276 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.364 -10.816 6.113 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.116 -10.771 7.342 1.00 0.31 H new ATOM 0 HG2 ARG A 41 1.612 -12.093 5.719 1.00 0.64 H new ATOM 0 HG3 ARG A 41 3.015 -12.289 4.688 1.00 0.64 H new ATOM 0 HD2 ARG A 41 3.023 -14.252 6.053 1.00 0.92 H new ATOM 0 HD3 ARG A 41 4.240 -13.224 6.783 1.00 0.92 H new ATOM 0 HE ARG A 41 2.871 -13.042 8.732 1.00 1.69 H new ATOM 0 HH11 ARG A 41 1.096 -14.049 5.894 1.00 2.03 H new ATOM 0 HH12 ARG A 41 -0.404 -14.339 6.781 1.00 2.03 H new ATOM 0 HH21 ARG A 41 0.951 -13.407 9.867 1.00 3.09 H new ATOM 0 HH22 ARG A 41 -0.486 -13.979 9.012 1.00 3.09 H new ATOM 676 N GLU A 42 4.490 -9.085 4.084 1.00 0.21 N ATOM 677 CA GLU A 42 5.540 -8.168 3.576 1.00 0.18 C ATOM 678 C GLU A 42 4.867 -6.908 3.041 1.00 0.17 C ATOM 679 O GLU A 42 5.490 -5.871 2.889 1.00 0.18 O ATOM 680 CB GLU A 42 6.334 -8.839 2.447 1.00 0.16 C ATOM 681 CG GLU A 42 5.881 -10.291 2.263 1.00 0.20 C ATOM 682 CD GLU A 42 6.717 -10.958 1.169 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.035 -10.285 0.201 1.00 1.06 O ATOM 684 OE2 GLU A 42 7.023 -12.129 1.316 1.00 1.09 O ATOM 0 H GLU A 42 4.449 -10.000 3.636 1.00 0.21 H new ATOM 0 HA GLU A 42 6.227 -7.919 4.385 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.193 -8.287 1.518 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.399 -8.810 2.677 1.00 0.16 H new ATOM 0 HG2 GLU A 42 5.989 -10.837 3.200 1.00 0.20 H new ATOM 0 HG3 GLU A 42 4.825 -10.321 1.996 1.00 0.20 H new ATOM 691 N ILE A 43 3.595 -6.987 2.750 1.00 0.19 N ATOM 692 CA ILE A 43 2.868 -5.800 2.225 1.00 0.20 C ATOM 693 C ILE A 43 3.047 -4.591 3.167 1.00 0.22 C ATOM 694 O ILE A 43 3.054 -3.458 2.731 1.00 0.24 O ATOM 695 CB ILE A 43 1.381 -6.163 2.090 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.761 -5.372 0.945 1.00 0.40 C ATOM 697 CG2 ILE A 43 0.637 -5.814 3.370 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.720 -5.728 0.816 1.00 0.87 C ATOM 0 H ILE A 43 3.028 -7.828 2.855 1.00 0.19 H new ATOM 0 HA ILE A 43 3.272 -5.521 1.252 1.00 0.20 H new ATOM 0 HB ILE A 43 1.303 -7.233 1.897 1.00 0.26 H new ATOM 0 HG12 ILE A 43 0.874 -4.303 1.126 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.281 -5.594 0.013 1.00 0.40 H new ATOM 0 HG21 ILE A 43 -0.416 -6.076 3.262 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.066 -6.371 4.203 1.00 0.38 H new ATOM 0 HG23 ILE A 43 0.727 -4.745 3.563 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -1.161 -5.161 -0.004 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.822 -6.794 0.615 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -1.235 -5.483 1.745 1.00 0.87 H new ATOM 710 N SER A 44 3.196 -4.812 4.449 1.00 0.24 N ATOM 711 CA SER A 44 3.374 -3.668 5.387 1.00 0.27 C ATOM 712 C SER A 44 4.847 -3.302 5.428 1.00 0.26 C ATOM 713 O SER A 44 5.215 -2.186 5.733 1.00 0.27 O ATOM 714 CB SER A 44 2.909 -4.076 6.785 1.00 0.31 C ATOM 715 OG SER A 44 1.968 -5.136 6.677 1.00 1.14 O ATOM 0 H SER A 44 3.202 -5.735 4.884 1.00 0.24 H new ATOM 0 HA SER A 44 2.786 -2.814 5.051 1.00 0.27 H new ATOM 0 HB2 SER A 44 3.762 -4.391 7.387 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.458 -3.224 7.294 1.00 0.31 H new ATOM 0 HG SER A 44 1.326 -5.080 7.415 1.00 1.14 H new ATOM 721 N LYS A 45 5.697 -4.222 5.079 1.00 0.25 N ATOM 722 CA LYS A 45 7.134 -3.880 5.059 1.00 0.25 C ATOM 723 C LYS A 45 7.295 -2.797 4.001 1.00 0.23 C ATOM 724 O LYS A 45 7.580 -1.662 4.322 1.00 0.25 O ATOM 725 CB LYS A 45 7.962 -5.116 4.712 1.00 0.24 C ATOM 726 CG LYS A 45 7.740 -6.190 5.787 1.00 0.42 C ATOM 727 CD LYS A 45 8.444 -5.800 7.092 1.00 0.90 C ATOM 728 CE LYS A 45 8.663 -7.052 7.942 1.00 0.82 C ATOM 729 NZ LYS A 45 9.878 -7.769 7.464 1.00 1.86 N ATOM 0 H LYS A 45 5.462 -5.178 4.812 1.00 0.25 H new ATOM 0 HA LYS A 45 7.481 -3.528 6.030 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.673 -5.499 3.733 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.019 -4.856 4.653 1.00 0.24 H new ATOM 0 HG2 LYS A 45 6.673 -6.317 5.967 1.00 0.42 H new ATOM 0 HG3 LYS A 45 8.120 -7.149 5.435 1.00 0.42 H new ATOM 0 HD2 LYS A 45 9.399 -5.322 6.875 1.00 0.90 H new ATOM 0 HD3 LYS A 45 7.843 -5.075 7.640 1.00 0.90 H new ATOM 0 HE2 LYS A 45 8.778 -6.777 8.990 1.00 0.82 H new ATOM 0 HE3 LYS A 45 7.793 -7.705 7.878 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 10.018 -8.630 8.030 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 9.757 -8.028 6.464 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 10.708 -7.150 7.563 1.00 1.86 H new ATOM 743 N ALA A 46 7.122 -3.159 2.746 1.00 0.22 N ATOM 744 CA ALA A 46 7.256 -2.168 1.620 1.00 0.23 C ATOM 745 C ALA A 46 6.877 -0.759 2.112 1.00 0.22 C ATOM 746 O ALA A 46 7.472 0.232 1.736 1.00 0.29 O ATOM 747 CB ALA A 46 6.331 -2.581 0.470 1.00 0.25 C ATOM 0 H ALA A 46 6.891 -4.108 2.451 1.00 0.22 H new ATOM 0 HA ALA A 46 8.289 -2.154 1.271 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.425 -1.866 -0.347 1.00 0.25 H new ATOM 0 HB2 ALA A 46 6.610 -3.574 0.117 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.299 -2.597 0.821 1.00 0.25 H new ATOM 753 N VAL A 47 5.879 -0.683 2.947 1.00 0.17 N ATOM 754 CA VAL A 47 5.428 0.639 3.492 1.00 0.17 C ATOM 755 C VAL A 47 6.427 1.163 4.530 1.00 0.17 C ATOM 756 O VAL A 47 7.170 2.092 4.278 1.00 0.16 O ATOM 757 CB VAL A 47 4.064 0.475 4.174 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.598 1.825 4.742 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.054 -0.046 3.151 1.00 0.20 C ATOM 0 H VAL A 47 5.347 -1.486 3.282 1.00 0.17 H new ATOM 0 HA VAL A 47 5.359 1.345 2.664 1.00 0.17 H new ATOM 0 HB VAL A 47 4.146 -0.237 4.996 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.629 1.701 5.225 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.324 2.183 5.472 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.510 2.550 3.932 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.081 -0.165 3.628 1.00 0.20 H new ATOM 0 HG22 VAL A 47 2.970 0.664 2.328 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.390 -1.009 2.766 1.00 0.20 H new ATOM 769 N ASP A 48 6.416 0.589 5.702 1.00 0.20 N ATOM 770 CA ASP A 48 7.327 1.046 6.797 1.00 0.23 C ATOM 771 C ASP A 48 8.710 1.388 6.246 1.00 0.24 C ATOM 772 O ASP A 48 9.207 2.483 6.418 1.00 0.26 O ATOM 773 CB ASP A 48 7.462 -0.071 7.834 1.00 0.26 C ATOM 774 CG ASP A 48 7.474 0.533 9.239 1.00 0.44 C ATOM 775 OD1 ASP A 48 8.209 1.484 9.447 1.00 1.26 O ATOM 776 OD2 ASP A 48 6.747 0.033 10.083 1.00 1.11 O ATOM 0 H ASP A 48 5.806 -0.189 5.953 1.00 0.20 H new ATOM 0 HA ASP A 48 6.903 1.940 7.254 1.00 0.23 H new ATOM 0 HB2 ASP A 48 6.635 -0.774 7.736 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.380 -0.633 7.661 1.00 0.26 H new ATOM 781 N VAL A 49 9.334 0.455 5.590 1.00 0.26 N ATOM 782 CA VAL A 49 10.688 0.721 5.031 1.00 0.30 C ATOM 783 C VAL A 49 10.671 2.060 4.303 1.00 0.29 C ATOM 784 O VAL A 49 11.462 2.939 4.579 1.00 0.29 O ATOM 785 CB VAL A 49 11.081 -0.384 4.057 1.00 0.37 C ATOM 786 CG1 VAL A 49 11.074 -1.712 4.787 1.00 1.06 C ATOM 787 CG2 VAL A 49 10.074 -0.456 2.925 1.00 0.95 C ATOM 0 H VAL A 49 8.967 -0.481 5.416 1.00 0.26 H new ATOM 0 HA VAL A 49 11.414 0.748 5.843 1.00 0.30 H new ATOM 0 HB VAL A 49 12.072 -0.171 3.657 1.00 0.37 H new ATOM 0 HG11 VAL A 49 11.354 -2.508 4.097 1.00 1.06 H new ATOM 0 HG12 VAL A 49 11.787 -1.678 5.611 1.00 1.06 H new ATOM 0 HG13 VAL A 49 10.076 -1.906 5.179 1.00 1.06 H new ATOM 0 HG21 VAL A 49 10.361 -1.248 2.233 1.00 0.95 H new ATOM 0 HG22 VAL A 49 9.085 -0.669 3.331 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.051 0.497 2.397 1.00 0.95 H new ATOM 797 N TYR A 50 9.772 2.225 3.375 1.00 0.31 N ATOM 798 CA TYR A 50 9.696 3.511 2.625 1.00 0.34 C ATOM 799 C TYR A 50 9.470 4.662 3.602 1.00 0.30 C ATOM 800 O TYR A 50 10.194 5.636 3.603 1.00 0.30 O ATOM 801 CB TYR A 50 8.533 3.454 1.631 1.00 0.40 C ATOM 802 CG TYR A 50 7.824 4.790 1.594 1.00 1.14 C ATOM 803 CD1 TYR A 50 6.763 5.042 2.470 1.00 2.13 C ATOM 804 CD2 TYR A 50 8.230 5.778 0.688 1.00 1.88 C ATOM 805 CE1 TYR A 50 6.110 6.279 2.441 1.00 2.97 C ATOM 806 CE2 TYR A 50 7.574 7.014 0.658 1.00 2.70 C ATOM 807 CZ TYR A 50 6.514 7.264 1.535 1.00 3.06 C ATOM 808 OH TYR A 50 5.868 8.484 1.506 1.00 4.02 O ATOM 0 H TYR A 50 9.084 1.523 3.102 1.00 0.31 H new ATOM 0 HA TYR A 50 10.630 3.670 2.086 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.904 3.201 0.638 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.834 2.669 1.920 1.00 0.40 H new ATOM 0 HD1 TYR A 50 6.448 4.281 3.169 1.00 2.13 H new ATOM 0 HD2 TYR A 50 9.050 5.586 0.012 1.00 1.88 H new ATOM 0 HE1 TYR A 50 5.293 6.473 3.120 1.00 2.97 H new ATOM 0 HE2 TYR A 50 7.886 7.774 -0.042 1.00 2.70 H new ATOM 0 HH TYR A 50 6.274 9.053 0.819 1.00 4.02 H new ATOM 818 N ASN A 51 8.474 4.560 4.436 1.00 0.30 N ATOM 819 CA ASN A 51 8.210 5.649 5.408 1.00 0.30 C ATOM 820 C ASN A 51 9.497 5.912 6.162 1.00 0.29 C ATOM 821 O ASN A 51 9.975 7.025 6.249 1.00 0.29 O ATOM 822 CB ASN A 51 7.123 5.207 6.387 1.00 0.32 C ATOM 823 CG ASN A 51 6.806 6.357 7.345 1.00 0.61 C ATOM 824 OD1 ASN A 51 5.843 7.074 7.154 1.00 1.34 O ATOM 825 ND2 ASN A 51 7.580 6.563 8.374 1.00 1.28 N ATOM 0 H ASN A 51 7.833 3.768 4.484 1.00 0.30 H new ATOM 0 HA ASN A 51 7.874 6.550 4.895 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.225 4.914 5.843 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.456 4.333 6.947 1.00 0.32 H new ATOM 0 HD21 ASN A 51 7.378 7.326 9.020 1.00 1.28 H new ATOM 0 HD22 ASN A 51 8.388 5.961 8.533 1.00 1.28 H new ATOM 832 N SER A 52 10.060 4.880 6.710 1.00 0.30 N ATOM 833 CA SER A 52 11.318 5.055 7.463 1.00 0.30 C ATOM 834 C SER A 52 12.366 5.636 6.515 1.00 0.29 C ATOM 835 O SER A 52 13.215 6.408 6.915 1.00 0.28 O ATOM 836 CB SER A 52 11.805 3.717 8.000 1.00 0.33 C ATOM 837 OG SER A 52 11.833 2.769 6.945 1.00 1.04 O ATOM 0 H SER A 52 9.703 3.926 6.668 1.00 0.30 H new ATOM 0 HA SER A 52 11.151 5.725 8.306 1.00 0.30 H new ATOM 0 HB2 SER A 52 12.800 3.826 8.432 1.00 0.33 H new ATOM 0 HB3 SER A 52 11.147 3.371 8.797 1.00 0.33 H new ATOM 0 HG SER A 52 11.753 3.233 6.086 1.00 1.04 H new ATOM 843 N LEU A 53 12.314 5.280 5.254 1.00 0.28 N ATOM 844 CA LEU A 53 13.299 5.817 4.279 1.00 0.28 C ATOM 845 C LEU A 53 12.883 7.231 3.884 1.00 0.26 C ATOM 846 O LEU A 53 13.694 8.059 3.530 1.00 0.26 O ATOM 847 CB LEU A 53 13.302 4.939 3.026 1.00 0.28 C ATOM 848 CG LEU A 53 14.487 5.302 2.136 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.731 4.514 2.564 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.136 4.944 0.698 1.00 0.40 C ATOM 0 H LEU A 53 11.626 4.637 4.862 1.00 0.28 H new ATOM 0 HA LEU A 53 14.292 5.826 4.728 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.358 3.888 3.309 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.370 5.072 2.477 1.00 0.28 H new ATOM 0 HG LEU A 53 14.699 6.368 2.224 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.570 4.781 1.922 1.00 0.44 H new ATOM 0 HD12 LEU A 53 15.975 4.754 3.599 1.00 0.44 H new ATOM 0 HD13 LEU A 53 15.533 3.446 2.476 1.00 0.44 H new ATOM 0 HD21 LEU A 53 14.972 5.197 0.046 1.00 0.40 H new ATOM 0 HD22 LEU A 53 13.931 3.876 0.629 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.253 5.503 0.389 1.00 0.40 H new ATOM 862 N LYS A 54 11.628 7.540 3.990 1.00 0.26 N ATOM 863 CA LYS A 54 11.190 8.915 3.669 1.00 0.27 C ATOM 864 C LYS A 54 11.546 9.742 4.891 1.00 0.29 C ATOM 865 O LYS A 54 12.120 10.810 4.811 1.00 0.28 O ATOM 866 CB LYS A 54 9.674 8.883 3.393 1.00 0.30 C ATOM 867 CG LYS A 54 8.886 9.863 4.280 1.00 0.55 C ATOM 868 CD LYS A 54 9.254 11.309 3.935 1.00 0.27 C ATOM 869 CE LYS A 54 8.214 11.897 2.977 1.00 0.36 C ATOM 870 NZ LYS A 54 7.014 12.331 3.747 1.00 1.00 N ATOM 0 H LYS A 54 10.889 6.901 4.284 1.00 0.26 H new ATOM 0 HA LYS A 54 11.665 9.341 2.785 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.495 9.124 2.345 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.301 7.872 3.556 1.00 0.30 H new ATOM 0 HG2 LYS A 54 7.816 9.710 4.140 1.00 0.55 H new ATOM 0 HG3 LYS A 54 9.102 9.667 5.330 1.00 0.55 H new ATOM 0 HD2 LYS A 54 9.303 11.908 4.844 1.00 0.27 H new ATOM 0 HD3 LYS A 54 10.243 11.343 3.477 1.00 0.27 H new ATOM 0 HE2 LYS A 54 8.639 12.744 2.438 1.00 0.36 H new ATOM 0 HE3 LYS A 54 7.931 11.154 2.231 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 6.309 12.730 3.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 6.604 11.513 4.242 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 7.290 13.053 4.442 1.00 1.00 H new ATOM 884 N ASP A 55 11.233 9.204 6.026 1.00 0.34 N ATOM 885 CA ASP A 55 11.556 9.871 7.303 1.00 0.38 C ATOM 886 C ASP A 55 13.060 10.122 7.331 1.00 0.40 C ATOM 887 O ASP A 55 13.580 10.786 8.207 1.00 0.47 O ATOM 888 CB ASP A 55 11.164 8.929 8.443 1.00 0.43 C ATOM 889 CG ASP A 55 11.703 9.467 9.768 1.00 0.85 C ATOM 890 OD1 ASP A 55 11.512 10.644 10.026 1.00 1.48 O ATOM 891 OD2 ASP A 55 12.292 8.695 10.504 1.00 1.58 O ATOM 0 H ASP A 55 10.755 8.308 6.123 1.00 0.34 H new ATOM 0 HA ASP A 55 11.022 10.815 7.409 1.00 0.38 H new ATOM 0 HB2 ASP A 55 10.079 8.835 8.493 1.00 0.43 H new ATOM 0 HB3 ASP A 55 11.562 7.932 8.256 1.00 0.43 H new ATOM 896 N ARG A 56 13.761 9.587 6.366 1.00 0.36 N ATOM 897 CA ARG A 56 15.230 9.775 6.310 1.00 0.40 C ATOM 898 C ARG A 56 15.552 11.206 5.911 1.00 0.40 C ATOM 899 O ARG A 56 16.371 11.867 6.518 1.00 0.43 O ATOM 900 CB ARG A 56 15.789 8.847 5.243 1.00 0.44 C ATOM 901 CG ARG A 56 17.225 8.473 5.581 1.00 0.81 C ATOM 902 CD ARG A 56 17.221 7.231 6.472 1.00 0.67 C ATOM 903 NE ARG A 56 18.624 6.904 6.851 1.00 1.00 N ATOM 904 CZ ARG A 56 18.866 6.112 7.859 1.00 1.24 C ATOM 905 NH1 ARG A 56 17.879 5.598 8.541 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.098 5.835 8.184 1.00 1.69 N ATOM 0 H ARG A 56 13.370 9.024 5.611 1.00 0.36 H new ATOM 0 HA ARG A 56 15.664 9.560 7.286 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.177 7.948 5.174 1.00 0.44 H new ATOM 0 HB3 ARG A 56 15.751 9.334 4.269 1.00 0.44 H new ATOM 0 HG2 ARG A 56 17.788 8.279 4.668 1.00 0.81 H new ATOM 0 HG3 ARG A 56 17.719 9.300 6.091 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.621 7.409 7.365 1.00 0.67 H new ATOM 0 HD3 ARG A 56 16.767 6.391 5.946 1.00 0.67 H new ATOM 0 HE ARG A 56 19.399 7.301 6.320 1.00 1.00 H new ATOM 0 HH11 ARG A 56 16.915 5.815 8.286 1.00 1.52 H new ATOM 0 HH12 ARG A 56 18.071 4.979 9.329 1.00 1.52 H new ATOM 0 HH21 ARG A 56 20.869 6.237 7.651 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.291 5.216 8.972 1.00 1.69 H new ATOM 920 N LEU A 57 14.928 11.685 4.875 1.00 0.38 N ATOM 921 CA LEU A 57 15.222 13.069 4.429 1.00 0.42 C ATOM 922 C LEU A 57 14.032 13.669 3.691 1.00 0.39 C ATOM 923 O LEU A 57 13.882 14.872 3.656 1.00 0.41 O ATOM 924 CB LEU A 57 16.436 13.053 3.495 1.00 0.51 C ATOM 925 CG LEU A 57 17.138 14.413 3.538 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.216 14.398 4.622 1.00 1.63 C ATOM 927 CD2 LEU A 57 17.789 14.699 2.182 1.00 1.66 C ATOM 0 H LEU A 57 14.233 11.182 4.323 1.00 0.38 H new ATOM 0 HA LEU A 57 15.429 13.678 5.309 1.00 0.42 H new ATOM 0 HB2 LEU A 57 17.128 12.266 3.796 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.120 12.828 2.476 1.00 0.51 H new ATOM 0 HG LEU A 57 16.405 15.189 3.761 1.00 1.11 H new ATOM 0 HD11 LEU A 57 18.715 15.366 4.652 1.00 1.63 H new ATOM 0 HD12 LEU A 57 17.756 14.197 5.590 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.946 13.620 4.398 1.00 1.63 H new ATOM 0 HD21 LEU A 57 18.288 15.668 2.215 1.00 1.66 H new ATOM 0 HD22 LEU A 57 18.520 13.922 1.958 1.00 1.66 H new ATOM 0 HD23 LEU A 57 17.023 14.712 1.406 1.00 1.66 H new ATOM 939 N GLY A 58 13.171 12.863 3.117 1.00 0.39 N ATOM 940 CA GLY A 58 11.994 13.429 2.394 1.00 0.38 C ATOM 941 C GLY A 58 12.459 14.263 1.202 1.00 0.33 C ATOM 942 O GLY A 58 11.966 14.122 0.101 1.00 0.31 O ATOM 0 H GLY A 58 13.233 11.845 3.119 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.346 12.622 2.052 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.404 14.047 3.071 1.00 0.38 H new ATOM 946 N ASP A 59 13.389 15.139 1.418 1.00 0.37 N ATOM 947 CA ASP A 59 13.877 15.996 0.308 1.00 0.38 C ATOM 948 C ASP A 59 14.715 15.162 -0.648 1.00 0.30 C ATOM 949 O ASP A 59 14.604 15.286 -1.848 1.00 0.32 O ATOM 950 CB ASP A 59 14.720 17.139 0.870 1.00 0.47 C ATOM 951 CG ASP A 59 14.213 18.468 0.309 1.00 0.57 C ATOM 952 OD1 ASP A 59 14.534 18.769 -0.830 1.00 1.06 O ATOM 953 OD2 ASP A 59 13.510 19.163 1.026 1.00 1.38 O ATOM 0 H ASP A 59 13.837 15.301 2.320 1.00 0.37 H new ATOM 0 HA ASP A 59 13.024 16.412 -0.228 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.663 17.146 1.959 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.768 16.996 0.606 1.00 0.47 H new ATOM 958 N GLY A 60 15.547 14.307 -0.130 1.00 0.26 N ATOM 959 CA GLY A 60 16.385 13.461 -1.013 1.00 0.24 C ATOM 960 C GLY A 60 15.663 12.146 -1.263 1.00 0.23 C ATOM 961 O GLY A 60 16.279 11.125 -1.480 1.00 0.24 O ATOM 0 H GLY A 60 15.682 14.158 0.870 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.574 13.973 -1.957 1.00 0.24 H new ATOM 0 HA3 GLY A 60 17.354 13.277 -0.550 1.00 0.24 H new ATOM 965 N VAL A 61 14.359 12.156 -1.232 1.00 0.22 N ATOM 966 CA VAL A 61 13.584 10.911 -1.464 1.00 0.22 C ATOM 967 C VAL A 61 12.206 11.317 -1.991 1.00 0.22 C ATOM 968 O VAL A 61 11.569 12.202 -1.453 1.00 0.28 O ATOM 969 CB VAL A 61 13.430 10.148 -0.147 1.00 0.25 C ATOM 970 CG1 VAL A 61 12.483 8.967 -0.354 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.797 9.630 0.309 1.00 0.38 C ATOM 0 H VAL A 61 13.793 12.986 -1.053 1.00 0.22 H new ATOM 0 HA VAL A 61 14.094 10.267 -2.180 1.00 0.22 H new ATOM 0 HB VAL A 61 13.023 10.815 0.613 1.00 0.25 H new ATOM 0 HG11 VAL A 61 12.371 8.421 0.583 1.00 0.34 H new ATOM 0 HG12 VAL A 61 11.509 9.334 -0.678 1.00 0.34 H new ATOM 0 HG13 VAL A 61 12.892 8.302 -1.115 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.686 9.087 1.247 1.00 0.38 H new ATOM 0 HG22 VAL A 61 15.205 8.963 -0.450 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.475 10.471 0.455 1.00 0.38 H new ATOM 981 N GLN A 62 11.773 10.721 -3.068 1.00 0.20 N ATOM 982 CA GLN A 62 10.469 11.119 -3.671 1.00 0.21 C ATOM 983 C GLN A 62 9.647 9.908 -4.101 1.00 0.22 C ATOM 984 O GLN A 62 10.151 8.831 -4.330 1.00 0.21 O ATOM 985 CB GLN A 62 10.756 11.959 -4.908 1.00 0.23 C ATOM 986 CG GLN A 62 10.535 13.436 -4.599 1.00 0.34 C ATOM 987 CD GLN A 62 9.038 13.752 -4.642 1.00 0.50 C ATOM 988 OE1 GLN A 62 8.513 14.380 -3.746 1.00 1.14 O ATOM 989 NE2 GLN A 62 8.326 13.339 -5.655 1.00 1.31 N ATOM 0 H GLN A 62 12.267 9.974 -3.557 1.00 0.20 H new ATOM 0 HA GLN A 62 9.900 11.671 -2.923 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.783 11.798 -5.237 1.00 0.23 H new ATOM 0 HB3 GLN A 62 10.106 11.649 -5.727 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.939 13.677 -3.616 1.00 0.34 H new ATOM 0 HG3 GLN A 62 11.068 14.053 -5.323 1.00 0.34 H new ATOM 0 HE21 GLN A 62 8.768 12.811 -6.408 1.00 1.31 H new ATOM 0 HE22 GLN A 62 7.328 13.544 -5.694 1.00 1.31 H new ATOM 998 N LEU A 63 8.368 10.114 -4.221 1.00 0.25 N ATOM 999 CA LEU A 63 7.436 9.039 -4.649 1.00 0.26 C ATOM 1000 C LEU A 63 7.231 9.148 -6.162 1.00 0.29 C ATOM 1001 O LEU A 63 6.680 10.121 -6.638 1.00 0.34 O ATOM 1002 CB LEU A 63 6.101 9.262 -3.923 1.00 0.29 C ATOM 1003 CG LEU A 63 5.108 8.135 -4.231 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.325 7.793 -2.959 1.00 0.49 C ATOM 1005 CD2 LEU A 63 4.119 8.594 -5.310 1.00 0.48 C ATOM 0 H LEU A 63 7.918 11.010 -4.034 1.00 0.25 H new ATOM 0 HA LEU A 63 7.831 8.052 -4.410 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.273 9.315 -2.848 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.675 10.219 -4.225 1.00 0.29 H new ATOM 0 HG LEU A 63 5.655 7.261 -4.584 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.617 6.992 -3.172 1.00 0.49 H new ATOM 0 HD12 LEU A 63 5.017 7.469 -2.182 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.783 8.675 -2.617 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.416 7.789 -5.525 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.573 9.468 -4.955 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.665 8.851 -6.218 1.00 0.48 H new ATOM 1017 N VAL A 64 7.664 8.173 -6.924 1.00 0.29 N ATOM 1018 CA VAL A 64 7.473 8.257 -8.407 1.00 0.33 C ATOM 1019 C VAL A 64 6.262 7.428 -8.817 1.00 0.32 C ATOM 1020 O VAL A 64 5.676 7.664 -9.854 1.00 0.37 O ATOM 1021 CB VAL A 64 8.698 7.758 -9.192 1.00 0.36 C ATOM 1022 CG1 VAL A 64 9.429 8.953 -9.809 1.00 1.12 C ATOM 1023 CG2 VAL A 64 9.656 6.961 -8.294 1.00 1.35 C ATOM 0 H VAL A 64 8.136 7.333 -6.590 1.00 0.29 H new ATOM 0 HA VAL A 64 7.326 9.310 -8.647 1.00 0.33 H new ATOM 0 HB VAL A 64 8.351 7.090 -9.980 1.00 0.36 H new ATOM 0 HG11 VAL A 64 10.297 8.600 -10.366 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.756 9.482 -10.484 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.755 9.628 -9.018 1.00 1.12 H new ATOM 0 HG21 VAL A 64 10.510 6.624 -8.882 1.00 1.35 H new ATOM 0 HG22 VAL A 64 10.004 7.596 -7.479 1.00 1.35 H new ATOM 0 HG23 VAL A 64 9.135 6.097 -7.883 1.00 1.35 H new ATOM 1033 N ASN A 65 5.854 6.469 -8.026 1.00 0.28 N ATOM 1034 CA ASN A 65 4.659 5.675 -8.422 1.00 0.29 C ATOM 1035 C ASN A 65 4.268 4.726 -7.289 1.00 0.26 C ATOM 1036 O ASN A 65 5.075 4.375 -6.454 1.00 0.24 O ATOM 1037 CB ASN A 65 4.989 4.869 -9.671 1.00 0.30 C ATOM 1038 CG ASN A 65 4.025 5.249 -10.796 1.00 0.38 C ATOM 1039 OD1 ASN A 65 2.846 4.966 -10.724 1.00 1.20 O ATOM 1040 ND2 ASN A 65 4.481 5.884 -11.841 1.00 0.98 N ATOM 0 H ASN A 65 6.288 6.207 -7.141 1.00 0.28 H new ATOM 0 HA ASN A 65 3.826 6.348 -8.626 1.00 0.29 H new ATOM 0 HB2 ASN A 65 6.017 5.061 -9.979 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.914 3.803 -9.458 1.00 0.30 H new ATOM 0 HD21 ASN A 65 3.847 6.143 -12.597 1.00 0.98 H new ATOM 0 HD22 ASN A 65 5.471 6.122 -11.901 1.00 0.98 H new ATOM 1047 N VAL A 66 3.031 4.310 -7.263 1.00 0.27 N ATOM 1048 CA VAL A 66 2.561 3.383 -6.196 1.00 0.25 C ATOM 1049 C VAL A 66 1.291 2.687 -6.677 1.00 0.26 C ATOM 1050 O VAL A 66 0.370 3.320 -7.152 1.00 0.29 O ATOM 1051 CB VAL A 66 2.222 4.169 -4.922 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.531 3.238 -3.923 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.493 4.731 -4.284 1.00 0.63 C ATOM 0 H VAL A 66 2.319 4.576 -7.943 1.00 0.27 H new ATOM 0 HA VAL A 66 3.348 2.660 -5.981 1.00 0.25 H new ATOM 0 HB VAL A 66 1.562 4.996 -5.186 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.289 3.793 -3.016 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.615 2.846 -4.365 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.197 2.411 -3.675 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.233 5.285 -3.382 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.164 3.911 -4.026 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.990 5.398 -4.989 1.00 0.63 H new ATOM 1063 N GLN A 67 1.240 1.392 -6.555 1.00 0.25 N ATOM 1064 CA GLN A 67 0.029 0.661 -7.003 1.00 0.27 C ATOM 1065 C GLN A 67 -0.278 -0.479 -6.047 1.00 0.25 C ATOM 1066 O GLN A 67 0.569 -0.959 -5.321 1.00 0.25 O ATOM 1067 CB GLN A 67 0.237 0.104 -8.412 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.126 -0.151 -9.057 1.00 0.39 C ATOM 1069 CD GLN A 67 -0.928 -0.730 -10.459 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.930 -1.932 -10.640 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -0.753 0.080 -11.468 1.00 1.41 N ATOM 0 H GLN A 67 1.983 0.811 -6.166 1.00 0.25 H new ATOM 0 HA GLN A 67 -0.810 1.357 -7.014 1.00 0.27 H new ATOM 0 HB2 GLN A 67 0.811 0.808 -9.014 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.812 -0.821 -8.369 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.706 -0.842 -8.445 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -1.693 0.778 -9.113 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -0.751 1.089 -11.318 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -0.618 -0.296 -12.407 1.00 1.41 H new ATOM 1080 N THR A 68 -1.505 -0.893 -6.052 1.00 0.26 N ATOM 1081 CA THR A 68 -1.942 -1.991 -5.159 1.00 0.27 C ATOM 1082 C THR A 68 -2.744 -2.980 -5.979 1.00 0.30 C ATOM 1083 O THR A 68 -3.439 -2.607 -6.903 1.00 0.43 O ATOM 1084 CB THR A 68 -2.826 -1.416 -4.048 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.613 -0.356 -4.573 1.00 0.52 O ATOM 1086 CG2 THR A 68 -1.946 -0.887 -2.921 1.00 0.46 C ATOM 0 H THR A 68 -2.239 -0.510 -6.648 1.00 0.26 H new ATOM 0 HA THR A 68 -1.078 -2.484 -4.713 1.00 0.27 H new ATOM 0 HB THR A 68 -3.480 -2.198 -3.661 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.427 -0.722 -4.978 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.575 -0.478 -2.130 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.341 -1.700 -2.520 1.00 0.46 H new ATOM 0 HG23 THR A 68 -1.292 -0.105 -3.306 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.679 -4.234 -5.652 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.460 -5.257 -6.398 1.00 0.38 C ATOM 1096 C GLY A 69 -3.237 -6.584 -5.673 1.00 0.31 C ATOM 1097 O GLY A 69 -2.249 -6.739 -4.994 1.00 0.40 O ATOM 0 H GLY A 69 -2.111 -4.602 -4.889 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.519 -4.999 -6.418 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.128 -5.320 -7.434 1.00 0.38 H new ATOM 1101 N SER A 70 -4.145 -7.520 -5.767 1.00 0.42 N ATOM 1102 CA SER A 70 -3.955 -8.821 -5.058 1.00 0.34 C ATOM 1103 C SER A 70 -3.540 -9.904 -6.050 1.00 0.32 C ATOM 1104 O SER A 70 -3.625 -9.730 -7.249 1.00 0.33 O ATOM 1105 CB SER A 70 -5.252 -9.228 -4.359 1.00 0.32 C ATOM 1106 OG SER A 70 -6.180 -9.695 -5.327 1.00 0.34 O ATOM 0 H SER A 70 -5.009 -7.440 -6.303 1.00 0.42 H new ATOM 0 HA SER A 70 -3.169 -8.704 -4.312 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.053 -10.007 -3.623 1.00 0.32 H new ATOM 0 HB3 SER A 70 -5.669 -8.378 -3.818 1.00 0.32 H new ATOM 0 HG SER A 70 -6.931 -10.133 -4.875 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.127 -11.042 -5.557 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.732 -12.143 -6.480 1.00 0.35 C ATOM 1114 C GLU A 71 -3.001 -13.482 -5.817 1.00 0.35 C ATOM 1115 O GLU A 71 -3.195 -13.568 -4.620 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.246 -12.042 -6.820 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.404 -12.198 -5.555 1.00 0.54 C ATOM 1118 CD GLU A 71 0.338 -13.533 -5.591 1.00 0.59 C ATOM 1119 OE1 GLU A 71 -0.237 -14.497 -6.068 1.00 1.12 O ATOM 1120 OE2 GLU A 71 1.470 -13.569 -5.140 1.00 1.29 O ATOM 0 H GLU A 71 -3.047 -11.255 -4.563 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.315 -12.058 -7.397 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -0.977 -12.813 -7.542 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -1.037 -11.080 -7.288 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.309 -11.377 -5.478 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -1.043 -12.150 -4.673 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.999 -14.531 -6.586 1.00 0.43 N ATOM 1128 CA VAL A 72 -3.242 -15.869 -6.000 1.00 0.51 C ATOM 1129 C VAL A 72 -1.911 -16.536 -5.659 1.00 0.58 C ATOM 1130 O VAL A 72 -1.312 -17.191 -6.489 1.00 0.93 O ATOM 1131 CB VAL A 72 -4.006 -16.735 -6.997 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.456 -18.015 -6.300 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -5.230 -15.972 -7.507 1.00 1.02 C ATOM 0 H VAL A 72 -2.840 -14.517 -7.593 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.831 -15.758 -5.090 1.00 0.51 H new ATOM 0 HB VAL A 72 -3.361 -16.982 -7.840 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -5.003 -18.640 -7.005 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.583 -18.557 -5.936 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -5.104 -17.764 -5.460 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -5.775 -16.592 -8.219 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -5.881 -15.726 -6.668 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -4.908 -15.054 -7.998 1.00 1.02 H new ATOM 1143 N ARG A 73 -1.425 -16.365 -4.458 1.00 0.44 N ATOM 1144 CA ARG A 73 -0.122 -16.974 -4.084 1.00 0.48 C ATOM 1145 C ARG A 73 -0.350 -18.314 -3.397 1.00 0.54 C ATOM 1146 O ARG A 73 -0.856 -18.381 -2.295 1.00 0.55 O ATOM 1147 CB ARG A 73 0.611 -16.032 -3.126 1.00 0.43 C ATOM 1148 CG ARG A 73 2.093 -16.396 -3.070 1.00 0.53 C ATOM 1149 CD ARG A 73 2.810 -15.453 -2.103 1.00 0.62 C ATOM 1150 NE ARG A 73 4.186 -15.962 -1.838 1.00 0.89 N ATOM 1151 CZ ARG A 73 4.360 -17.029 -1.106 1.00 1.42 C ATOM 1152 NH1 ARG A 73 3.329 -17.653 -0.603 1.00 2.23 N ATOM 1153 NH2 ARG A 73 5.566 -17.475 -0.879 1.00 1.70 N ATOM 0 H ARG A 73 -1.879 -15.827 -3.720 1.00 0.44 H new ATOM 0 HA ARG A 73 0.474 -17.132 -4.983 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.494 -15.000 -3.456 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.173 -16.100 -2.130 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.213 -17.429 -2.744 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.535 -16.321 -4.063 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.857 -14.449 -2.526 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.252 -15.380 -1.169 1.00 0.62 H new ATOM 0 HE ARG A 73 4.993 -15.476 -2.229 1.00 0.89 H new ATOM 0 HH11 ARG A 73 2.386 -17.307 -0.782 1.00 2.23 H new ATOM 0 HH12 ARG A 73 3.466 -18.486 -0.031 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.372 -16.990 -1.273 1.00 1.70 H new ATOM 0 HH22 ARG A 73 5.702 -18.309 -0.307 1.00 1.70 H new ATOM 1167 N ASP A 74 0.034 -19.374 -4.040 1.00 0.60 N ATOM 1168 CA ASP A 74 -0.127 -20.730 -3.448 1.00 0.68 C ATOM 1169 C ASP A 74 -1.580 -21.174 -3.583 1.00 0.68 C ATOM 1170 O ASP A 74 -2.146 -21.759 -2.681 1.00 0.69 O ATOM 1171 CB ASP A 74 0.267 -20.701 -1.972 1.00 0.68 C ATOM 1172 CG ASP A 74 0.878 -22.047 -1.577 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.150 -23.024 -1.558 1.00 1.27 O ATOM 1174 OD2 ASP A 74 2.067 -22.077 -1.301 1.00 1.38 O ATOM 0 H ASP A 74 0.460 -19.361 -4.967 1.00 0.60 H new ATOM 0 HA ASP A 74 0.518 -21.433 -3.976 1.00 0.68 H new ATOM 0 HB2 ASP A 74 0.982 -19.899 -1.792 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.608 -20.492 -1.356 1.00 0.68 H new ATOM 1179 N ARG A 75 -2.194 -20.884 -4.698 1.00 0.67 N ATOM 1180 CA ARG A 75 -3.617 -21.271 -4.897 1.00 0.69 C ATOM 1181 C ARG A 75 -4.472 -20.585 -3.831 1.00 0.59 C ATOM 1182 O ARG A 75 -5.512 -21.075 -3.439 1.00 0.64 O ATOM 1183 CB ARG A 75 -3.776 -22.797 -4.809 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.903 -23.374 -6.219 1.00 0.87 C ATOM 1185 CD ARG A 75 -2.666 -22.996 -7.030 1.00 0.85 C ATOM 1186 NE ARG A 75 -2.173 -24.192 -7.768 1.00 1.25 N ATOM 1187 CZ ARG A 75 -2.929 -24.763 -8.666 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -4.118 -24.287 -8.915 1.00 2.62 N ATOM 1189 NH2 ARG A 75 -2.497 -25.810 -9.312 1.00 2.29 N ATOM 0 H ARG A 75 -1.767 -20.393 -5.483 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.944 -20.954 -5.887 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.917 -23.235 -4.300 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -4.658 -23.049 -4.220 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -4.005 -24.458 -6.173 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -4.801 -22.989 -6.703 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -2.907 -22.197 -7.731 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.887 -22.616 -6.369 1.00 0.85 H new ATOM 0 HE ARG A 75 -1.244 -24.565 -7.572 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -4.456 -23.469 -8.408 1.00 2.62 H new ATOM 0 HH12 ARG A 75 -4.709 -24.733 -9.617 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -1.568 -26.183 -9.116 1.00 2.29 H new ATOM 0 HH22 ARG A 75 -3.088 -26.256 -10.014 1.00 2.29 H new ATOM 1203 N ARG A 76 -4.054 -19.433 -3.372 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.850 -18.708 -2.348 1.00 0.38 C ATOM 1205 C ARG A 76 -4.712 -17.207 -2.594 1.00 0.34 C ATOM 1206 O ARG A 76 -3.690 -16.733 -3.043 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.332 -19.040 -0.949 1.00 0.37 C ATOM 1208 CG ARG A 76 -5.483 -19.570 -0.081 1.00 0.63 C ATOM 1209 CD ARG A 76 -5.980 -20.917 -0.621 1.00 1.28 C ATOM 1210 NE ARG A 76 -6.422 -21.776 0.512 1.00 1.50 N ATOM 1211 CZ ARG A 76 -6.957 -22.942 0.273 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -7.107 -23.350 -0.958 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -7.344 -23.699 1.262 1.00 2.82 N ATOM 0 H ARG A 76 -3.195 -18.967 -3.665 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.895 -19.009 -2.419 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.539 -19.785 -1.012 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -3.898 -18.151 -0.491 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -5.147 -19.685 0.950 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -6.301 -18.850 -0.071 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -6.806 -20.760 -1.315 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -5.185 -21.413 -1.178 1.00 1.28 H new ATOM 0 HE ARG A 76 -6.307 -21.454 1.473 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -6.806 -22.758 -1.732 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -7.525 -24.261 -1.146 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -7.229 -23.380 2.224 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -7.762 -24.610 1.074 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.755 -16.472 -2.347 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.719 -15.006 -2.625 1.00 0.31 C ATOM 1229 C ARG A 77 -5.103 -14.241 -1.476 1.00 0.27 C ATOM 1230 O ARG A 77 -5.492 -14.344 -0.330 1.00 0.29 O ATOM 1231 CB ARG A 77 -7.142 -14.483 -2.856 1.00 0.34 C ATOM 1232 CG ARG A 77 -7.402 -14.250 -4.352 1.00 0.58 C ATOM 1233 CD ARG A 77 -6.933 -12.850 -4.750 1.00 0.47 C ATOM 1234 NE ARG A 77 -7.228 -12.619 -6.193 1.00 1.21 N ATOM 1235 CZ ARG A 77 -8.461 -12.445 -6.592 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -9.439 -12.466 -5.727 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -8.714 -12.248 -7.857 1.00 2.44 N ATOM 0 H ARG A 77 -6.634 -16.820 -1.964 1.00 0.32 H new ATOM 0 HA ARG A 77 -5.109 -14.855 -3.516 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.865 -15.198 -2.464 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.285 -13.552 -2.308 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -6.877 -15.001 -4.943 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -8.465 -14.362 -4.567 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -7.436 -12.099 -4.140 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -5.864 -12.747 -4.565 1.00 0.47 H new ATOM 0 HE ARG A 77 -6.466 -12.597 -6.871 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -9.242 -12.618 -4.738 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -10.400 -12.330 -6.040 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -7.950 -12.230 -8.533 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -9.675 -12.112 -8.170 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.124 -13.467 -1.822 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.403 -12.646 -0.847 1.00 0.20 C ATOM 1253 C ILE A 78 -3.217 -11.270 -1.476 1.00 0.19 C ATOM 1254 O ILE A 78 -3.133 -11.138 -2.681 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.050 -13.290 -0.575 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.226 -12.372 0.283 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.307 -13.532 -1.887 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.015 -13.131 0.832 1.00 0.23 C ATOM 0 H ILE A 78 -3.787 -13.372 -2.780 1.00 0.23 H new ATOM 0 HA ILE A 78 -3.945 -12.561 0.095 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.209 -14.241 -0.068 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.895 -11.512 -0.300 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -1.830 -11.987 1.105 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.341 -13.993 -1.679 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.896 -14.194 -2.522 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.153 -12.582 -2.398 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.581 -12.463 1.454 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.356 -13.976 1.430 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.593 -13.494 0.003 1.00 0.23 H new ATOM 1270 N SER A 79 -3.217 -10.245 -0.692 1.00 0.20 N ATOM 1271 CA SER A 79 -3.110 -8.884 -1.268 1.00 0.22 C ATOM 1272 C SER A 79 -1.644 -8.466 -1.416 1.00 0.19 C ATOM 1273 O SER A 79 -0.763 -8.995 -0.768 1.00 0.22 O ATOM 1274 CB SER A 79 -3.831 -7.904 -0.347 1.00 0.28 C ATOM 1275 OG SER A 79 -3.798 -8.396 0.987 1.00 0.74 O ATOM 0 H SER A 79 -3.286 -10.286 0.325 1.00 0.20 H new ATOM 0 HA SER A 79 -3.566 -8.880 -2.258 1.00 0.22 H new ATOM 0 HB2 SER A 79 -3.355 -6.924 -0.397 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.863 -7.774 -0.673 1.00 0.28 H new ATOM 0 HG SER A 79 -4.210 -7.740 1.588 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.389 -7.500 -2.265 1.00 0.19 N ATOM 1282 CA TYR A 80 0.015 -7.027 -2.448 1.00 0.25 C ATOM 1283 C TYR A 80 0.044 -5.533 -2.730 1.00 0.22 C ATOM 1284 O TYR A 80 -0.895 -4.959 -3.245 1.00 0.21 O ATOM 1285 CB TYR A 80 0.740 -7.820 -3.567 1.00 0.40 C ATOM 1286 CG TYR A 80 0.225 -7.484 -4.955 1.00 0.93 C ATOM 1287 CD1 TYR A 80 0.513 -6.243 -5.551 1.00 1.68 C ATOM 1288 CD2 TYR A 80 -0.518 -8.435 -5.669 1.00 1.82 C ATOM 1289 CE1 TYR A 80 0.045 -5.961 -6.841 1.00 2.66 C ATOM 1290 CE2 TYR A 80 -0.978 -8.141 -6.959 1.00 2.78 C ATOM 1291 CZ TYR A 80 -0.700 -6.908 -7.539 1.00 3.08 C ATOM 1292 OH TYR A 80 -1.156 -6.626 -8.812 1.00 4.16 O ATOM 0 H TYR A 80 -2.088 -7.023 -2.834 1.00 0.19 H new ATOM 0 HA TYR A 80 0.553 -7.210 -1.518 1.00 0.25 H new ATOM 0 HB2 TYR A 80 1.809 -7.610 -3.520 1.00 0.40 H new ATOM 0 HB3 TYR A 80 0.617 -8.888 -3.387 1.00 0.40 H new ATOM 0 HD1 TYR A 80 1.095 -5.508 -5.015 1.00 1.68 H new ATOM 0 HD2 TYR A 80 -0.736 -9.395 -5.224 1.00 1.82 H new ATOM 0 HE1 TYR A 80 0.263 -5.006 -7.296 1.00 2.66 H new ATOM 0 HE2 TYR A 80 -1.551 -8.875 -7.506 1.00 2.78 H new ATOM 0 HH TYR A 80 -1.658 -7.394 -9.157 1.00 4.16 H new ATOM 1302 N ILE A 81 1.140 -4.905 -2.382 1.00 0.25 N ATOM 1303 CA ILE A 81 1.294 -3.440 -2.601 1.00 0.27 C ATOM 1304 C ILE A 81 2.554 -3.169 -3.405 1.00 0.25 C ATOM 1305 O ILE A 81 3.623 -3.673 -3.107 1.00 0.26 O ATOM 1306 CB ILE A 81 1.436 -2.720 -1.263 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.499 -1.206 -1.491 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.734 -3.163 -0.584 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.659 -0.500 -0.149 1.00 0.69 C ATOM 0 H ILE A 81 1.945 -5.356 -1.949 1.00 0.25 H new ATOM 0 HA ILE A 81 0.413 -3.081 -3.133 1.00 0.27 H new ATOM 0 HB ILE A 81 0.578 -2.964 -0.636 1.00 0.34 H new ATOM 0 HG12 ILE A 81 2.335 -0.960 -2.146 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.592 -0.864 -1.989 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.838 -2.650 0.372 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.708 -4.240 -0.417 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.582 -2.915 -1.223 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.704 0.577 -0.308 1.00 0.69 H new ATOM 0 HD12 ILE A 81 0.809 -0.737 0.491 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.579 -0.835 0.331 1.00 0.69 H new ATOM 1321 N LEU A 82 2.430 -2.356 -4.405 1.00 0.25 N ATOM 1322 CA LEU A 82 3.595 -1.991 -5.241 1.00 0.25 C ATOM 1323 C LEU A 82 3.960 -0.548 -4.897 1.00 0.25 C ATOM 1324 O LEU A 82 3.129 0.332 -5.004 1.00 0.29 O ATOM 1325 CB LEU A 82 3.180 -2.091 -6.704 1.00 0.29 C ATOM 1326 CG LEU A 82 2.413 -3.392 -6.928 1.00 0.32 C ATOM 1327 CD1 LEU A 82 2.060 -3.533 -8.415 1.00 0.36 C ATOM 1328 CD2 LEU A 82 3.279 -4.583 -6.493 1.00 0.32 C ATOM 0 H LEU A 82 1.552 -1.919 -4.684 1.00 0.25 H new ATOM 0 HA LEU A 82 4.447 -2.647 -5.065 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.558 -1.238 -6.976 1.00 0.29 H new ATOM 0 HB3 LEU A 82 4.061 -2.060 -7.346 1.00 0.29 H new ATOM 0 HG LEU A 82 1.497 -3.375 -6.338 1.00 0.32 H new ATOM 0 HD11 LEU A 82 1.513 -4.462 -8.572 1.00 0.36 H new ATOM 0 HD12 LEU A 82 1.441 -2.691 -8.723 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.975 -3.546 -9.007 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.729 -5.510 -6.654 1.00 0.32 H new ATOM 0 HD22 LEU A 82 4.197 -4.599 -7.080 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.526 -4.486 -5.436 1.00 0.32 H new ATOM 1340 N LEU A 83 5.169 -0.292 -4.451 1.00 0.22 N ATOM 1341 CA LEU A 83 5.535 1.103 -4.063 1.00 0.23 C ATOM 1342 C LEU A 83 6.830 1.541 -4.745 1.00 0.21 C ATOM 1343 O LEU A 83 7.862 0.908 -4.626 1.00 0.20 O ATOM 1344 CB LEU A 83 5.727 1.164 -2.549 1.00 0.23 C ATOM 1345 CG LEU A 83 6.153 2.570 -2.134 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.297 3.037 -0.955 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.616 2.536 -1.715 1.00 0.98 C ATOM 0 H LEU A 83 5.910 -0.984 -4.341 1.00 0.22 H new ATOM 0 HA LEU A 83 4.733 1.772 -4.377 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.799 0.892 -2.045 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.481 0.440 -2.240 1.00 0.23 H new ATOM 0 HG LEU A 83 6.021 3.258 -2.969 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.602 4.041 -0.659 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.248 3.048 -1.249 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.431 2.355 -0.115 1.00 0.52 H new ATOM 0 HD21 LEU A 83 7.932 3.535 -1.416 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.738 1.851 -0.876 1.00 0.98 H new ATOM 0 HD23 LEU A 83 8.226 2.198 -2.552 1.00 0.98 H new ATOM 1359 N ARG A 84 6.762 2.630 -5.459 1.00 0.22 N ATOM 1360 CA ARG A 84 7.963 3.143 -6.164 1.00 0.21 C ATOM 1361 C ARG A 84 8.627 4.243 -5.338 1.00 0.21 C ATOM 1362 O ARG A 84 8.085 4.714 -4.357 1.00 0.23 O ATOM 1363 CB ARG A 84 7.570 3.654 -7.547 1.00 0.23 C ATOM 1364 CG ARG A 84 8.625 3.177 -8.545 1.00 0.25 C ATOM 1365 CD ARG A 84 8.363 3.751 -9.934 1.00 0.31 C ATOM 1366 NE ARG A 84 9.503 3.413 -10.833 1.00 0.40 N ATOM 1367 CZ ARG A 84 9.334 3.412 -12.127 1.00 0.48 C ATOM 1368 NH1 ARG A 84 8.169 3.712 -12.634 1.00 0.49 N ATOM 1369 NH2 ARG A 84 10.331 3.114 -12.914 1.00 0.58 N ATOM 0 H ARG A 84 5.918 3.189 -5.583 1.00 0.22 H new ATOM 0 HA ARG A 84 8.683 2.335 -6.289 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.585 3.279 -7.826 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.509 4.742 -7.548 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.616 3.478 -8.204 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.621 2.088 -8.591 1.00 0.25 H new ATOM 0 HD2 ARG A 84 7.435 3.346 -10.338 1.00 0.31 H new ATOM 0 HD3 ARG A 84 8.240 4.832 -9.875 1.00 0.31 H new ATOM 0 HE ARG A 84 10.414 3.183 -10.437 1.00 0.40 H new ATOM 0 HH11 ARG A 84 7.390 3.947 -12.019 1.00 0.49 H new ATOM 0 HH12 ARG A 84 8.037 3.711 -13.645 1.00 0.49 H new ATOM 0 HH21 ARG A 84 11.242 2.882 -12.518 1.00 0.58 H new ATOM 0 HH22 ARG A 84 10.200 3.113 -13.926 1.00 0.58 H new ATOM 1383 N LEU A 85 9.806 4.648 -5.725 1.00 0.20 N ATOM 1384 CA LEU A 85 10.507 5.714 -4.946 1.00 0.21 C ATOM 1385 C LEU A 85 11.579 6.379 -5.803 1.00 0.21 C ATOM 1386 O LEU A 85 12.269 5.726 -6.541 1.00 0.22 O ATOM 1387 CB LEU A 85 11.173 5.075 -3.728 1.00 0.23 C ATOM 1388 CG LEU A 85 10.468 5.480 -2.435 1.00 0.53 C ATOM 1389 CD1 LEU A 85 11.135 4.755 -1.265 1.00 1.39 C ATOM 1390 CD2 LEU A 85 10.579 6.991 -2.219 1.00 0.94 C ATOM 0 H LEU A 85 10.311 4.293 -6.537 1.00 0.20 H new ATOM 0 HA LEU A 85 9.782 6.467 -4.636 1.00 0.21 H new ATOM 0 HB2 LEU A 85 11.157 3.990 -3.829 1.00 0.23 H new ATOM 0 HB3 LEU A 85 12.220 5.375 -3.684 1.00 0.23 H new ATOM 0 HG LEU A 85 9.414 5.210 -2.500 1.00 0.53 H new ATOM 0 HD11 LEU A 85 10.641 5.035 -0.334 1.00 1.39 H new ATOM 0 HD12 LEU A 85 11.052 3.678 -1.410 1.00 1.39 H new ATOM 0 HD13 LEU A 85 12.187 5.035 -1.216 1.00 1.39 H new ATOM 0 HD21 LEU A 85 10.072 7.264 -1.294 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.630 7.273 -2.154 1.00 0.94 H new ATOM 0 HD23 LEU A 85 10.114 7.513 -3.055 1.00 0.94 H new ATOM 1402 N LYS A 86 11.714 7.673 -5.696 1.00 0.22 N ATOM 1403 CA LYS A 86 12.745 8.414 -6.499 1.00 0.24 C ATOM 1404 C LYS A 86 13.677 9.185 -5.565 1.00 0.23 C ATOM 1405 O LYS A 86 13.257 9.684 -4.548 1.00 0.28 O ATOM 1406 CB LYS A 86 12.044 9.418 -7.408 1.00 0.27 C ATOM 1407 CG LYS A 86 13.069 10.178 -8.255 1.00 0.38 C ATOM 1408 CD LYS A 86 13.285 11.583 -7.685 1.00 0.72 C ATOM 1409 CE LYS A 86 14.167 12.387 -8.642 1.00 0.72 C ATOM 1410 NZ LYS A 86 13.403 12.691 -9.884 1.00 1.42 N ATOM 0 H LYS A 86 11.150 8.260 -5.081 1.00 0.22 H new ATOM 0 HA LYS A 86 13.319 7.698 -7.087 1.00 0.24 H new ATOM 0 HB2 LYS A 86 11.339 8.899 -8.058 1.00 0.27 H new ATOM 0 HB3 LYS A 86 11.467 10.121 -6.807 1.00 0.27 H new ATOM 0 HG2 LYS A 86 14.014 9.634 -8.271 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.722 10.245 -9.286 1.00 0.38 H new ATOM 0 HD2 LYS A 86 12.327 12.084 -7.548 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.755 11.521 -6.704 1.00 0.72 H new ATOM 0 HE2 LYS A 86 14.490 13.312 -8.165 1.00 0.72 H new ATOM 0 HE3 LYS A 86 15.067 11.823 -8.885 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 13.363 13.721 -10.024 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 13.875 12.249 -10.699 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 12.437 12.316 -9.798 1.00 1.42 H new ATOM 1424 N ARG A 87 14.934 9.305 -5.910 1.00 0.24 N ATOM 1425 CA ARG A 87 15.876 10.076 -5.036 1.00 0.24 C ATOM 1426 C ARG A 87 16.155 11.444 -5.654 1.00 0.26 C ATOM 1427 O ARG A 87 16.346 11.572 -6.848 1.00 0.28 O ATOM 1428 CB ARG A 87 17.196 9.320 -4.882 1.00 0.27 C ATOM 1429 CG ARG A 87 16.942 7.965 -4.212 1.00 0.62 C ATOM 1430 CD ARG A 87 16.418 8.176 -2.787 1.00 0.43 C ATOM 1431 NE ARG A 87 16.767 6.994 -1.949 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.932 6.924 -1.364 1.00 0.80 C ATOM 1433 NH1 ARG A 87 18.805 7.881 -1.525 1.00 1.64 N ATOM 1434 NH2 ARG A 87 18.228 5.893 -0.621 1.00 0.86 N ATOM 0 H ARG A 87 15.349 8.906 -6.752 1.00 0.24 H new ATOM 0 HA ARG A 87 15.415 10.201 -4.056 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.657 9.173 -5.858 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.894 9.906 -4.285 1.00 0.27 H new ATOM 0 HG2 ARG A 87 16.219 7.392 -4.793 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.864 7.384 -4.187 1.00 0.62 H new ATOM 0 HD2 ARG A 87 16.852 9.080 -2.359 1.00 0.43 H new ATOM 0 HD3 ARG A 87 15.337 8.318 -2.803 1.00 0.43 H new ATOM 0 HE ARG A 87 16.093 6.237 -1.832 1.00 0.48 H new ATOM 0 HH11 ARG A 87 18.578 8.686 -2.109 1.00 1.64 H new ATOM 0 HH12 ARG A 87 19.715 7.824 -1.067 1.00 1.64 H new ATOM 0 HH21 ARG A 87 17.549 5.142 -0.497 1.00 0.86 H new ATOM 0 HH22 ARG A 87 19.138 5.838 -0.164 1.00 0.86 H new ATOM 1448 N VAL A 88 16.191 12.462 -4.834 1.00 0.27 N ATOM 1449 CA VAL A 88 16.473 13.842 -5.337 1.00 0.30 C ATOM 1450 C VAL A 88 17.776 14.334 -4.713 1.00 0.31 C ATOM 1451 O VAL A 88 18.292 15.377 -5.064 1.00 0.35 O ATOM 1452 CB VAL A 88 15.342 14.796 -4.939 1.00 0.31 C ATOM 1453 CG1 VAL A 88 15.295 15.966 -5.923 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.997 14.067 -4.959 1.00 0.63 C ATOM 0 H VAL A 88 16.036 12.397 -3.828 1.00 0.27 H new ATOM 0 HA VAL A 88 16.552 13.818 -6.424 1.00 0.30 H new ATOM 0 HB VAL A 88 15.531 15.164 -3.930 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.491 16.646 -5.642 1.00 0.49 H new ATOM 0 HG12 VAL A 88 16.246 16.499 -5.900 1.00 0.49 H new ATOM 0 HG13 VAL A 88 15.115 15.588 -6.929 1.00 0.49 H new ATOM 0 HG21 VAL A 88 13.204 14.758 -4.674 1.00 0.63 H new ATOM 0 HG22 VAL A 88 13.804 13.687 -5.962 1.00 0.63 H new ATOM 0 HG23 VAL A 88 14.023 13.235 -4.255 1.00 0.63 H new ATOM 1464 N TYR A 89 18.315 13.583 -3.797 1.00 0.31 N ATOM 1465 CA TYR A 89 19.591 13.997 -3.155 1.00 0.37 C ATOM 1466 C TYR A 89 20.083 12.884 -2.228 1.00 0.49 C ATOM 1467 O TYR A 89 19.409 11.872 -2.139 1.00 1.12 O ATOM 1468 CB TYR A 89 19.368 15.277 -2.347 1.00 0.35 C ATOM 1469 CG TYR A 89 20.275 16.365 -2.872 1.00 0.51 C ATOM 1470 CD1 TYR A 89 21.652 16.305 -2.630 1.00 1.13 C ATOM 1471 CD2 TYR A 89 19.737 17.433 -3.600 1.00 1.46 C ATOM 1472 CE1 TYR A 89 22.492 17.313 -3.116 1.00 1.28 C ATOM 1473 CE2 TYR A 89 20.578 18.441 -4.087 1.00 1.76 C ATOM 1474 CZ TYR A 89 21.955 18.382 -3.845 1.00 1.27 C ATOM 1475 OH TYR A 89 22.784 19.375 -4.325 1.00 1.67 O ATOM 1476 OXT TYR A 89 21.126 13.063 -1.621 1.00 1.00 O ATOM 0 H TYR A 89 17.927 12.700 -3.465 1.00 0.31 H new ATOM 0 HA TYR A 89 20.339 14.183 -3.926 1.00 0.37 H new ATOM 0 HB2 TYR A 89 18.326 15.590 -2.420 1.00 0.35 H new ATOM 0 HB3 TYR A 89 19.573 15.095 -1.292 1.00 0.35 H new ATOM 0 HD1 TYR A 89 22.066 15.481 -2.068 1.00 1.13 H new ATOM 0 HD2 TYR A 89 18.674 17.479 -3.786 1.00 1.46 H new ATOM 0 HE1 TYR A 89 23.555 17.267 -2.929 1.00 1.28 H new ATOM 0 HE2 TYR A 89 20.164 19.264 -4.650 1.00 1.76 H new ATOM 0 HH TYR A 89 22.251 20.040 -4.809 1.00 1.67 H new TER 1486 TYR A 89 ATOM 1487 N MET B 1 -21.130 15.371 3.739 1.00 3.96 N ATOM 1488 CA MET B 1 -21.993 15.199 2.536 1.00 3.21 C ATOM 1489 C MET B 1 -21.726 13.830 1.908 1.00 2.20 C ATOM 1490 O MET B 1 -20.738 13.631 1.229 1.00 2.41 O ATOM 1491 CB MET B 1 -21.675 16.298 1.518 1.00 3.93 C ATOM 1492 CG MET B 1 -22.452 17.567 1.875 1.00 4.72 C ATOM 1493 SD MET B 1 -22.097 18.030 3.588 1.00 5.70 S ATOM 1494 CE MET B 1 -23.033 19.579 3.602 1.00 6.35 C ATOM 0 H1 MET B 1 -21.170 16.360 4.057 1.00 3.96 H new ATOM 0 H2 MET B 1 -21.468 14.749 4.501 1.00 3.96 H new ATOM 0 H3 MET B 1 -20.148 15.124 3.500 1.00 3.96 H new ATOM 0 HA MET B 1 -23.041 15.267 2.828 1.00 3.21 H new ATOM 0 HB2 MET B 1 -20.605 16.504 1.512 1.00 3.93 H new ATOM 0 HB3 MET B 1 -21.941 15.966 0.514 1.00 3.93 H new ATOM 0 HG2 MET B 1 -22.173 18.378 1.203 1.00 4.72 H new ATOM 0 HG3 MET B 1 -23.521 17.400 1.746 1.00 4.72 H new ATOM 0 HE1 MET B 1 -22.951 20.045 4.584 1.00 6.35 H new ATOM 0 HE2 MET B 1 -22.631 20.254 2.846 1.00 6.35 H new ATOM 0 HE3 MET B 1 -24.081 19.373 3.384 1.00 6.35 H new ATOM 1506 N THR B 2 -22.598 12.884 2.127 1.00 1.60 N ATOM 1507 CA THR B 2 -22.391 11.530 1.541 1.00 1.14 C ATOM 1508 C THR B 2 -22.705 11.570 0.046 1.00 0.94 C ATOM 1509 O THR B 2 -23.851 11.606 -0.358 1.00 1.61 O ATOM 1510 CB THR B 2 -23.317 10.526 2.227 1.00 1.83 C ATOM 1511 OG1 THR B 2 -24.517 11.180 2.615 1.00 2.42 O ATOM 1512 CG2 THR B 2 -22.623 9.950 3.463 1.00 2.32 C ATOM 0 H THR B 2 -23.444 12.990 2.686 1.00 1.60 H new ATOM 0 HA THR B 2 -21.355 11.227 1.689 1.00 1.14 H new ATOM 0 HB THR B 2 -23.552 9.716 1.536 1.00 1.83 H new ATOM 0 HG1 THR B 2 -25.113 10.537 3.054 1.00 2.42 H new ATOM 0 HG21 THR B 2 -23.284 9.234 3.951 1.00 2.32 H new ATOM 0 HG22 THR B 2 -21.703 9.448 3.163 1.00 2.32 H new ATOM 0 HG23 THR B 2 -22.386 10.757 4.157 1.00 2.32 H new ATOM 1520 N GLU B 3 -21.696 11.561 -0.779 1.00 0.88 N ATOM 1521 CA GLU B 3 -21.931 11.593 -2.249 1.00 0.65 C ATOM 1522 C GLU B 3 -20.630 11.220 -2.959 1.00 0.59 C ATOM 1523 O GLU B 3 -20.589 10.379 -3.826 1.00 0.81 O ATOM 1524 CB GLU B 3 -22.350 13.004 -2.653 1.00 0.93 C ATOM 1525 CG GLU B 3 -23.099 12.954 -3.979 1.00 0.89 C ATOM 1526 CD GLU B 3 -23.626 14.349 -4.323 1.00 1.04 C ATOM 1527 OE1 GLU B 3 -23.227 15.291 -3.658 1.00 1.68 O ATOM 1528 OE2 GLU B 3 -24.419 14.450 -5.243 1.00 1.56 O ATOM 0 H GLU B 3 -20.716 11.533 -0.498 1.00 0.88 H new ATOM 0 HA GLU B 3 -22.716 10.889 -2.525 1.00 0.65 H new ATOM 0 HB2 GLU B 3 -22.984 13.441 -1.882 1.00 0.93 H new ATOM 0 HB3 GLU B 3 -21.472 13.643 -2.744 1.00 0.93 H new ATOM 0 HG2 GLU B 3 -22.437 12.599 -4.769 1.00 0.89 H new ATOM 0 HG3 GLU B 3 -23.926 12.247 -3.915 1.00 0.89 H new ATOM 1535 N LYS B 4 -19.565 11.858 -2.589 1.00 0.65 N ATOM 1536 CA LYS B 4 -18.252 11.544 -3.220 1.00 0.57 C ATOM 1537 C LYS B 4 -17.122 12.037 -2.311 1.00 0.51 C ATOM 1538 O LYS B 4 -16.286 12.828 -2.699 1.00 0.47 O ATOM 1539 CB LYS B 4 -18.164 12.194 -4.605 1.00 0.60 C ATOM 1540 CG LYS B 4 -19.098 13.404 -4.670 1.00 1.06 C ATOM 1541 CD LYS B 4 -18.783 14.238 -5.917 1.00 1.25 C ATOM 1542 CE LYS B 4 -18.142 15.564 -5.502 1.00 1.83 C ATOM 1543 NZ LYS B 4 -19.179 16.450 -4.902 1.00 2.31 N ATOM 0 H LYS B 4 -19.541 12.586 -1.875 1.00 0.65 H new ATOM 0 HA LYS B 4 -18.155 10.466 -3.347 1.00 0.57 H new ATOM 0 HB2 LYS B 4 -17.139 12.503 -4.807 1.00 0.60 H new ATOM 0 HB3 LYS B 4 -18.436 11.471 -5.374 1.00 0.60 H new ATOM 0 HG2 LYS B 4 -20.136 13.072 -4.696 1.00 1.06 H new ATOM 0 HG3 LYS B 4 -18.980 14.014 -3.774 1.00 1.06 H new ATOM 0 HD2 LYS B 4 -18.110 13.687 -6.574 1.00 1.25 H new ATOM 0 HD3 LYS B 4 -19.697 14.425 -6.481 1.00 1.25 H new ATOM 0 HE2 LYS B 4 -17.342 15.385 -4.784 1.00 1.83 H new ATOM 0 HE3 LYS B 4 -17.691 16.049 -6.368 1.00 1.83 H new ATOM 0 HZ1 LYS B 4 -18.818 17.424 -4.854 1.00 2.31 H new ATOM 0 HZ2 LYS B 4 -20.037 16.428 -5.489 1.00 2.31 H new ATOM 0 HZ3 LYS B 4 -19.407 16.118 -3.943 1.00 2.31 H new ATOM 1557 N LEU B 5 -17.088 11.553 -1.100 1.00 0.55 N ATOM 1558 CA LEU B 5 -16.012 11.967 -0.153 1.00 0.57 C ATOM 1559 C LEU B 5 -16.176 11.165 1.134 1.00 0.76 C ATOM 1560 O LEU B 5 -16.156 11.701 2.224 1.00 1.59 O ATOM 1561 CB LEU B 5 -16.130 13.463 0.164 1.00 0.62 C ATOM 1562 CG LEU B 5 -14.755 14.015 0.548 1.00 0.90 C ATOM 1563 CD1 LEU B 5 -14.049 14.547 -0.700 1.00 1.35 C ATOM 1564 CD2 LEU B 5 -14.928 15.151 1.558 1.00 1.62 C ATOM 0 H LEU B 5 -17.761 10.886 -0.723 1.00 0.55 H new ATOM 0 HA LEU B 5 -15.036 11.782 -0.601 1.00 0.57 H new ATOM 0 HB2 LEU B 5 -16.520 13.999 -0.701 1.00 0.62 H new ATOM 0 HB3 LEU B 5 -16.836 13.618 0.980 1.00 0.62 H new ATOM 0 HG LEU B 5 -14.156 13.220 0.991 1.00 0.90 H new ATOM 0 HD11 LEU B 5 -13.070 14.940 -0.425 1.00 1.35 H new ATOM 0 HD12 LEU B 5 -13.926 13.739 -1.421 1.00 1.35 H new ATOM 0 HD13 LEU B 5 -14.647 15.342 -1.145 1.00 1.35 H new ATOM 0 HD21 LEU B 5 -13.950 15.546 1.833 1.00 1.62 H new ATOM 0 HD22 LEU B 5 -15.528 15.945 1.113 1.00 1.62 H new ATOM 0 HD23 LEU B 5 -15.430 14.773 2.449 1.00 1.62 H new ATOM 1576 N ASN B 6 -16.363 9.888 1.009 1.00 0.33 N ATOM 1577 CA ASN B 6 -16.561 9.036 2.206 1.00 0.35 C ATOM 1578 C ASN B 6 -15.228 8.447 2.669 1.00 0.29 C ATOM 1579 O ASN B 6 -14.658 7.598 2.022 1.00 0.32 O ATOM 1580 CB ASN B 6 -17.528 7.922 1.833 1.00 0.52 C ATOM 1581 CG ASN B 6 -18.120 7.302 3.096 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -17.684 7.592 4.191 1.00 1.46 O ATOM 1583 ND2 ASN B 6 -19.109 6.459 2.989 1.00 0.99 N ATOM 0 H ASN B 6 -16.388 9.391 0.118 1.00 0.33 H new ATOM 0 HA ASN B 6 -16.965 9.629 3.026 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -18.325 8.317 1.203 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -17.010 7.159 1.251 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -19.517 6.043 3.826 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -19.475 6.216 2.068 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.744 8.869 3.798 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.461 8.309 4.309 1.00 0.30 C ATOM 1592 C GLU B 7 -13.768 7.144 5.251 1.00 0.32 C ATOM 1593 O GLU B 7 -14.470 7.303 6.231 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.685 9.399 5.040 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.373 9.720 6.368 1.00 0.53 C ATOM 1596 CD GLU B 7 -12.980 11.127 6.822 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -13.644 12.067 6.414 1.00 1.08 O ATOM 1598 OE2 GLU B 7 -12.022 11.243 7.569 1.00 1.49 O ATOM 0 H GLU B 7 -15.178 9.576 4.391 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.852 7.947 3.480 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.661 9.071 5.220 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -12.629 10.295 4.422 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.455 9.652 6.254 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -13.086 8.989 7.124 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.271 5.970 4.941 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.559 4.777 5.796 1.00 0.38 C ATOM 1607 C ILE B 8 -12.265 4.121 6.286 1.00 0.34 C ATOM 1608 O ILE B 8 -11.264 4.081 5.599 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.352 3.757 4.981 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.434 4.478 4.175 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -15.009 2.747 5.923 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.291 3.447 3.442 1.00 1.17 C ATOM 0 H ILE B 8 -12.678 5.787 4.132 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.131 5.107 6.663 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.678 3.235 4.302 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -16.056 5.080 4.837 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -14.976 5.161 3.460 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.574 2.020 5.340 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.240 2.232 6.498 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.682 3.269 6.604 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -17.063 3.958 2.867 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -15.663 2.864 2.768 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.760 2.782 4.167 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.308 3.589 7.476 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.121 2.899 8.053 1.00 0.30 C ATOM 1626 C VAL B 9 -11.352 1.383 8.014 1.00 0.27 C ATOM 1627 O VAL B 9 -12.378 0.891 8.440 1.00 0.28 O ATOM 1628 CB VAL B 9 -10.924 3.347 9.502 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -12.157 2.975 10.324 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -9.691 2.653 10.087 1.00 1.27 C ATOM 0 H VAL B 9 -13.128 3.604 8.082 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.233 3.151 7.473 1.00 0.30 H new ATOM 0 HB VAL B 9 -10.782 4.427 9.532 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -12.016 3.295 11.357 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -13.035 3.470 9.908 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -12.301 1.895 10.295 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -9.550 2.972 11.120 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -9.833 1.573 10.057 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -8.811 2.920 9.501 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.414 0.647 7.496 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.597 -0.834 7.421 1.00 0.22 C ATOM 1642 C VAL B 10 -10.061 -1.460 8.705 1.00 0.20 C ATOM 1643 O VAL B 10 -9.387 -0.815 9.483 1.00 0.21 O ATOM 1644 CB VAL B 10 -9.855 -1.396 6.203 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.416 -1.742 6.583 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.563 -2.662 5.714 1.00 0.37 C ATOM 0 H VAL B 10 -9.533 0.999 7.122 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.656 -1.071 7.314 1.00 0.22 H new ATOM 0 HB VAL B 10 -9.850 -0.646 5.412 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -7.896 -2.141 5.712 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -7.906 -0.844 6.931 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.419 -2.489 7.377 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.036 -3.062 4.848 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.569 -3.406 6.511 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.589 -2.421 5.435 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.374 -2.705 8.945 1.00 0.19 N ATOM 1657 CA ARG B 11 -9.905 -3.365 10.193 1.00 0.20 C ATOM 1658 C ARG B 11 -9.508 -4.809 9.902 1.00 0.21 C ATOM 1659 O ARG B 11 -9.679 -5.307 8.807 1.00 0.22 O ATOM 1660 CB ARG B 11 -11.027 -3.358 11.234 1.00 0.22 C ATOM 1661 CG ARG B 11 -11.894 -2.113 11.050 1.00 0.51 C ATOM 1662 CD ARG B 11 -12.858 -1.990 12.229 1.00 0.49 C ATOM 1663 NE ARG B 11 -12.315 -1.016 13.216 1.00 1.28 N ATOM 1664 CZ ARG B 11 -13.090 -0.523 14.143 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -14.341 -0.888 14.210 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -12.614 0.334 15.004 1.00 2.37 N ATOM 0 H ARG B 11 -10.935 -3.293 8.328 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.042 -2.820 10.576 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -11.637 -4.256 11.131 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.604 -3.373 12.238 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -11.266 -1.225 10.985 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.451 -2.179 10.115 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.837 -1.662 11.879 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -12.998 -2.962 12.701 1.00 0.49 H new ATOM 0 HE ARG B 11 -11.336 -0.734 13.167 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -14.713 -1.559 13.538 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -14.947 -0.503 14.935 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -11.636 0.619 14.953 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -13.220 0.719 15.728 1.00 2.37 H new ATOM 1680 N LYS B 12 -8.997 -5.479 10.895 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.593 -6.902 10.733 1.00 0.25 C ATOM 1682 C LYS B 12 -9.516 -7.753 11.584 1.00 0.25 C ATOM 1683 O LYS B 12 -9.458 -8.967 11.571 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.149 -7.088 11.196 1.00 0.31 C ATOM 1685 CG LYS B 12 -6.941 -6.468 12.590 1.00 0.43 C ATOM 1686 CD LYS B 12 -7.605 -7.324 13.680 1.00 1.00 C ATOM 1687 CE LYS B 12 -6.755 -7.272 14.950 1.00 0.99 C ATOM 1688 NZ LYS B 12 -7.440 -8.029 16.037 1.00 1.75 N ATOM 0 H LYS B 12 -8.840 -5.095 11.827 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.663 -7.196 9.686 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -6.905 -8.150 11.225 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.470 -6.624 10.481 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -5.874 -6.376 12.795 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -7.358 -5.461 12.610 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -8.610 -6.956 13.886 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -7.707 -8.354 13.338 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -5.770 -7.699 14.759 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -6.600 -6.237 15.255 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -6.863 -7.994 16.901 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -8.370 -7.602 16.224 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -7.566 -9.019 15.744 1.00 1.75 H new ATOM 1702 N THR B 13 -10.369 -7.115 12.330 1.00 0.25 N ATOM 1703 CA THR B 13 -11.300 -7.876 13.191 1.00 0.36 C ATOM 1704 C THR B 13 -12.529 -8.256 12.368 1.00 0.49 C ATOM 1705 O THR B 13 -13.259 -9.168 12.703 1.00 0.91 O ATOM 1706 CB THR B 13 -11.720 -7.014 14.384 1.00 0.45 C ATOM 1707 OG1 THR B 13 -12.934 -7.513 14.925 1.00 1.19 O ATOM 1708 CG2 THR B 13 -11.917 -5.568 13.927 1.00 1.07 C ATOM 0 H THR B 13 -10.459 -6.100 12.379 1.00 0.25 H new ATOM 0 HA THR B 13 -10.811 -8.777 13.562 1.00 0.36 H new ATOM 0 HB THR B 13 -10.943 -7.048 15.148 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.202 -6.962 15.690 1.00 1.19 H new ATOM 0 HG21 THR B 13 -12.216 -4.955 14.777 1.00 1.07 H new ATOM 0 HG22 THR B 13 -10.983 -5.186 13.515 1.00 1.07 H new ATOM 0 HG23 THR B 13 -12.693 -5.531 13.162 1.00 1.07 H new ATOM 1716 N LYS B 14 -12.733 -7.589 11.266 1.00 0.31 N ATOM 1717 CA LYS B 14 -13.877 -7.927 10.383 1.00 0.38 C ATOM 1718 C LYS B 14 -13.395 -8.920 9.326 1.00 0.44 C ATOM 1719 O LYS B 14 -13.002 -10.029 9.629 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.386 -6.653 9.723 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.233 -5.890 10.737 1.00 0.68 C ATOM 1722 CD LYS B 14 -14.996 -4.386 10.597 1.00 0.90 C ATOM 1723 CE LYS B 14 -15.763 -3.652 11.696 1.00 1.34 C ATOM 1724 NZ LYS B 14 -17.097 -4.288 11.887 1.00 1.47 N ATOM 0 H LYS B 14 -12.150 -6.819 10.939 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.689 -8.375 10.956 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.550 -6.039 9.389 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -14.977 -6.894 8.840 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -16.288 -6.115 10.583 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -14.982 -6.213 11.748 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -13.931 -4.165 10.671 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -15.326 -4.044 9.616 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -15.199 -3.681 12.628 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -15.885 -2.602 11.429 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -17.725 -3.632 12.394 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -17.509 -4.515 10.960 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -16.989 -5.161 12.441 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.421 -8.525 8.085 1.00 0.41 N ATOM 1739 CA ASN B 15 -12.964 -9.431 7.000 1.00 0.31 C ATOM 1740 C ASN B 15 -12.824 -8.628 5.709 1.00 0.26 C ATOM 1741 O ASN B 15 -13.301 -7.515 5.604 1.00 0.30 O ATOM 1742 CB ASN B 15 -13.986 -10.549 6.801 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.561 -11.777 7.605 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -14.086 -12.033 8.671 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -12.623 -12.553 7.136 1.00 1.21 N ATOM 0 H ASN B 15 -13.741 -7.608 7.775 1.00 0.41 H new ATOM 0 HA ASN B 15 -12.003 -9.870 7.267 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.973 -10.215 7.121 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -14.063 -10.802 5.744 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -12.330 -13.375 7.664 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -12.183 -12.338 6.241 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.175 -9.181 4.726 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.012 -8.442 3.444 1.00 0.25 C ATOM 1754 C VAL B 16 -13.382 -8.290 2.785 1.00 0.24 C ATOM 1755 O VAL B 16 -13.694 -7.287 2.164 1.00 0.25 O ATOM 1756 CB VAL B 16 -11.076 -9.213 2.508 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.629 -9.054 2.982 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.450 -10.699 2.508 1.00 0.45 C ATOM 0 H VAL B 16 -11.752 -10.109 4.753 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.581 -7.460 3.642 1.00 0.25 H new ATOM 0 HB VAL B 16 -11.175 -8.815 1.498 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -8.965 -9.603 2.315 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.358 -7.998 2.975 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -9.532 -9.447 3.994 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -10.781 -11.243 1.841 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -11.357 -11.098 3.518 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.478 -10.815 2.165 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.218 -9.273 2.933 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.566 -9.176 2.331 1.00 0.27 C ATOM 1770 C GLU B 17 -16.397 -8.196 3.145 1.00 0.28 C ATOM 1771 O GLU B 17 -17.178 -7.445 2.605 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.249 -10.544 2.322 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.732 -10.894 3.731 1.00 0.79 C ATOM 1774 CD GLU B 17 -17.017 -12.396 3.813 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -16.997 -13.040 2.777 1.00 1.53 O ATOM 1776 OE2 GLU B 17 -17.251 -12.875 4.910 1.00 1.70 O ATOM 0 H GLU B 17 -14.026 -10.135 3.443 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.476 -8.829 1.302 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -17.092 -10.535 1.631 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.554 -11.305 1.967 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -15.977 -10.615 4.466 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.633 -10.328 3.970 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.256 -8.189 4.442 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.066 -7.259 5.264 1.00 0.35 C ATOM 1785 C ASP B 18 -16.912 -5.819 4.803 1.00 0.32 C ATOM 1786 O ASP B 18 -17.870 -5.069 4.830 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.603 -7.338 6.711 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.777 -7.734 7.607 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -18.732 -6.978 7.661 1.00 1.19 O ATOM 1790 OD2 ASP B 18 -17.699 -8.783 8.224 1.00 1.46 O ATOM 0 H ASP B 18 -15.615 -8.787 4.963 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.111 -7.553 5.162 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -15.798 -8.067 6.806 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -16.200 -6.376 7.027 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.750 -5.391 4.375 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.622 -3.978 3.927 1.00 0.31 C ATOM 1797 C HIS B 19 -15.894 -3.903 2.430 1.00 0.27 C ATOM 1798 O HIS B 19 -16.237 -2.861 1.909 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.203 -3.479 4.211 1.00 0.35 C ATOM 1800 CG HIS B 19 -13.991 -3.381 5.697 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.268 -2.221 6.408 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -13.531 -4.287 6.621 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -13.974 -2.458 7.701 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -13.521 -3.699 7.881 1.00 1.39 N ATOM 0 H HIS B 19 -14.900 -5.951 4.318 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.339 -3.356 4.464 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.473 -4.160 3.773 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -14.049 -2.505 3.746 1.00 0.35 H new ATOM 0 HD1 HIS B 19 -14.628 -1.348 6.022 1.00 1.21 H new ATOM 0 HD2 HIS B 19 -13.225 -5.299 6.403 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -14.091 -1.733 8.493 1.00 1.22 H new ATOM 1813 N VAL B 20 -15.813 -5.007 1.731 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.145 -4.954 0.286 1.00 0.22 C ATOM 1815 C VAL B 20 -17.667 -4.831 0.230 1.00 0.22 C ATOM 1816 O VAL B 20 -18.233 -4.134 -0.589 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.632 -6.221 -0.430 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -16.764 -7.226 -0.669 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.030 -5.824 -1.776 1.00 0.34 C ATOM 0 H VAL B 20 -15.537 -5.920 2.093 1.00 0.23 H new ATOM 0 HA VAL B 20 -15.670 -4.116 -0.225 1.00 0.22 H new ATOM 0 HB VAL B 20 -14.882 -6.692 0.205 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.368 -8.106 -1.175 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.197 -7.521 0.287 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.534 -6.766 -1.289 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.665 -6.714 -2.288 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.792 -5.341 -2.387 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.202 -5.133 -1.615 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.316 -5.501 1.142 1.00 0.23 N ATOM 1830 CA LEU B 21 -19.800 -5.449 1.227 1.00 0.26 C ATOM 1831 C LEU B 21 -20.226 -4.038 1.642 1.00 0.26 C ATOM 1832 O LEU B 21 -21.049 -3.409 1.004 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.285 -6.436 2.296 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.139 -7.886 1.806 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.540 -8.842 2.932 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.049 -8.128 0.595 1.00 0.38 C ATOM 0 H LEU B 21 -17.871 -6.092 1.844 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.229 -5.707 0.259 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.711 -6.297 3.212 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.328 -6.233 2.539 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.103 -8.061 1.517 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.438 -9.872 2.589 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -19.892 -8.681 3.794 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.576 -8.655 3.216 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -20.938 -9.158 0.256 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.086 -7.949 0.878 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -20.771 -7.449 -0.211 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.669 -3.533 2.708 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.042 -2.166 3.169 1.00 0.30 C ATOM 1850 C ASP B 22 -19.591 -1.129 2.138 1.00 0.28 C ATOM 1851 O ASP B 22 -20.179 -0.074 2.004 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.363 -1.878 4.509 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.026 -0.665 5.166 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -21.211 -0.741 5.443 1.00 1.21 O ATOM 1855 OD2 ASP B 22 -19.337 0.319 5.378 1.00 1.00 O ATOM 0 H ASP B 22 -18.971 -4.008 3.280 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.124 -2.110 3.286 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.441 -2.747 5.163 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.301 -1.687 4.357 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.551 -1.421 1.409 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.064 -0.451 0.387 1.00 0.27 C ATOM 1862 C VAL B 23 -19.083 -0.375 -0.751 1.00 0.26 C ATOM 1863 O VAL B 23 -19.554 0.690 -1.109 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.706 -0.904 -0.159 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.416 -0.185 -1.480 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.612 -0.554 0.851 1.00 0.30 C ATOM 0 H VAL B 23 -18.017 -2.288 1.476 1.00 0.26 H new ATOM 0 HA VAL B 23 -17.947 0.533 0.842 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.726 -1.981 -0.326 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.450 -0.509 -1.866 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.195 -0.425 -2.204 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.397 0.892 -1.312 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.644 -0.875 0.465 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.598 0.524 1.014 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -15.813 -1.061 1.795 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.436 -1.495 -1.319 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.429 -1.482 -2.427 1.00 0.25 C ATOM 1878 C ILE B 24 -21.770 -0.985 -1.891 1.00 0.26 C ATOM 1879 O ILE B 24 -22.623 -0.553 -2.639 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.573 -2.896 -3.007 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -20.862 -2.799 -4.506 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.719 -3.644 -2.317 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -21.118 -4.199 -5.067 1.00 0.69 C ATOM 0 H ILE B 24 -19.080 -2.416 -1.064 1.00 0.23 H new ATOM 0 HA ILE B 24 -20.093 -0.814 -3.220 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.645 -3.443 -2.840 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.729 -2.162 -4.680 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -20.019 -2.338 -5.021 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -21.807 -4.645 -2.740 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.514 -3.718 -1.249 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.652 -3.102 -2.470 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -21.324 -4.131 -6.135 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -20.238 -4.822 -4.906 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -21.975 -4.643 -4.560 1.00 0.69 H new ATOM 1895 N VAL B 25 -21.962 -1.026 -0.599 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.249 -0.536 -0.032 1.00 0.30 C ATOM 1897 C VAL B 25 -23.258 0.997 -0.050 1.00 0.30 C ATOM 1898 O VAL B 25 -24.225 1.614 -0.448 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.400 -1.032 1.408 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.608 -0.357 2.066 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -23.609 -2.547 1.407 1.00 0.37 C ATOM 0 H VAL B 25 -21.288 -1.375 0.082 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.078 -0.914 -0.630 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.498 -0.785 1.967 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.711 -0.714 3.091 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.463 0.723 2.071 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.511 -0.600 1.505 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -23.717 -2.900 2.433 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.510 -2.790 0.843 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -22.750 -3.033 0.944 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.199 1.623 0.386 1.00 0.30 N ATOM 1912 CA LEU B 26 -22.160 3.113 0.403 1.00 0.32 C ATOM 1913 C LEU B 26 -22.204 3.657 -1.030 1.00 0.31 C ATOM 1914 O LEU B 26 -22.792 4.689 -1.301 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.868 3.548 1.088 1.00 0.35 C ATOM 1916 CG LEU B 26 -21.099 3.638 2.600 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.749 3.690 3.312 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.903 4.898 2.943 1.00 1.15 C ATOM 0 H LEU B 26 -21.356 1.165 0.732 1.00 0.30 H new ATOM 0 HA LEU B 26 -23.022 3.504 0.944 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -20.072 2.836 0.872 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.545 4.514 0.700 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.660 2.762 2.926 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -19.908 3.754 4.388 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -19.181 2.788 3.082 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -19.193 4.565 2.974 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -22.059 4.948 4.021 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -21.354 5.781 2.615 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.868 4.862 2.438 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.622 2.952 -1.956 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.672 3.410 -3.374 1.00 0.31 C ATOM 1932 C PHE B 27 -23.132 3.357 -3.806 1.00 0.32 C ATOM 1933 O PHE B 27 -23.588 4.103 -4.649 1.00 0.34 O ATOM 1934 CB PHE B 27 -20.836 2.478 -4.250 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.374 2.494 -5.660 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -21.189 3.623 -6.467 1.00 1.37 C ATOM 1937 CD2 PHE B 27 -22.060 1.380 -6.162 1.00 1.18 C ATOM 1938 CE1 PHE B 27 -21.688 3.638 -7.776 1.00 1.46 C ATOM 1939 CE2 PHE B 27 -22.560 1.397 -7.469 1.00 1.22 C ATOM 1940 CZ PHE B 27 -22.374 2.526 -8.276 1.00 0.70 C ATOM 0 H PHE B 27 -21.115 2.081 -1.796 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.272 4.419 -3.474 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.793 2.795 -4.244 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -20.864 1.464 -3.850 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.662 4.482 -6.080 1.00 1.37 H new ATOM 0 HD2 PHE B 27 -22.203 0.508 -5.540 1.00 1.18 H new ATOM 0 HE1 PHE B 27 -21.543 4.508 -8.399 1.00 1.46 H new ATOM 0 HE2 PHE B 27 -23.090 0.539 -7.855 1.00 1.22 H new ATOM 0 HZ PHE B 27 -22.760 2.538 -9.285 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.860 2.471 -3.196 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.308 2.334 -3.511 1.00 0.34 C ATOM 1952 C ASN B 28 -26.013 3.657 -3.211 1.00 0.35 C ATOM 1953 O ASN B 28 -27.004 3.995 -3.827 1.00 0.36 O ATOM 1954 CB ASN B 28 -25.918 1.228 -2.656 1.00 0.36 C ATOM 1955 CG ASN B 28 -26.933 0.438 -3.485 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -26.829 -0.767 -3.605 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -27.916 1.070 -4.066 1.00 0.97 N ATOM 0 H ASN B 28 -23.512 1.828 -2.485 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.430 2.081 -4.564 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.135 0.563 -2.291 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.405 1.658 -1.780 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -28.598 0.553 -4.621 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -28.003 2.081 -3.965 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.513 4.412 -2.267 1.00 0.35 N ATOM 1965 CA GLN B 29 -26.161 5.711 -1.934 1.00 0.38 C ATOM 1966 C GLN B 29 -25.583 6.811 -2.823 1.00 0.39 C ATOM 1967 O GLN B 29 -25.980 7.957 -2.742 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.900 6.055 -0.466 1.00 0.39 C ATOM 1969 CG GLN B 29 -26.267 4.858 0.413 1.00 0.39 C ATOM 1970 CD GLN B 29 -25.967 5.191 1.877 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -26.720 4.831 2.759 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -24.891 5.868 2.173 1.00 1.17 N ATOM 0 H GLN B 29 -24.686 4.184 -1.715 1.00 0.35 H new ATOM 0 HA GLN B 29 -27.235 5.632 -2.102 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.851 6.316 -0.324 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.487 6.926 -0.176 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -27.323 4.615 0.293 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.700 3.979 0.105 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -24.259 6.170 1.432 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -24.682 6.095 3.145 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.657 6.464 -3.677 1.00 0.35 N ATOM 1982 CA GLY B 30 -24.052 7.478 -4.589 1.00 0.38 C ATOM 1983 C GLY B 30 -22.633 7.832 -4.135 1.00 0.34 C ATOM 1984 O GLY B 30 -22.047 8.773 -4.623 1.00 0.36 O ATOM 0 H GLY B 30 -24.292 5.517 -3.782 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -24.028 7.091 -5.608 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.670 8.376 -4.604 1.00 0.38 H new ATOM 1988 N ILE B 31 -22.062 7.080 -3.229 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.670 7.394 -2.789 1.00 0.29 C ATOM 1990 C ILE B 31 -19.718 6.949 -3.895 1.00 0.26 C ATOM 1991 O ILE B 31 -19.502 5.774 -4.109 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.356 6.662 -1.476 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.282 7.175 -0.349 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -18.897 6.900 -1.087 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -21.199 8.701 -0.209 1.00 0.59 C ATOM 0 H ILE B 31 -22.493 6.272 -2.780 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.557 8.463 -2.609 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.523 5.594 -1.618 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.311 6.883 -0.560 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -21.004 6.706 0.595 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.679 6.379 -0.155 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.244 6.523 -1.875 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.726 7.968 -0.954 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -21.862 9.030 0.592 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -20.175 8.990 0.026 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.502 9.169 -1.146 1.00 0.59 H new ATOM 2007 N ASP B 32 -19.151 7.887 -4.612 1.00 0.27 N ATOM 2008 CA ASP B 32 -18.226 7.520 -5.712 1.00 0.27 C ATOM 2009 C ASP B 32 -16.790 7.457 -5.204 1.00 0.27 C ATOM 2010 O ASP B 32 -16.028 6.587 -5.579 1.00 0.29 O ATOM 2011 CB ASP B 32 -18.324 8.561 -6.830 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.792 8.773 -7.203 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.329 7.939 -7.915 1.00 1.46 O ATOM 2014 OD2 ASP B 32 -20.356 9.765 -6.771 1.00 1.25 O ATOM 0 H ASP B 32 -19.292 8.888 -4.479 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.508 6.539 -6.093 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -17.881 9.502 -6.505 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.761 8.228 -7.702 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.412 8.394 -4.375 1.00 0.27 N ATOM 2020 CA GLU B 33 -15.025 8.422 -3.856 1.00 0.28 C ATOM 2021 C GLU B 33 -14.964 7.769 -2.484 1.00 0.26 C ATOM 2022 O GLU B 33 -15.868 7.889 -1.682 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.540 9.866 -3.750 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.796 10.237 -5.032 1.00 0.60 C ATOM 2025 CD GLU B 33 -13.758 11.757 -5.187 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -14.809 12.370 -5.104 1.00 1.20 O ATOM 2027 OE2 GLU B 33 -12.674 12.284 -5.387 1.00 1.08 O ATOM 0 H GLU B 33 -17.014 9.144 -4.036 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.384 7.871 -4.544 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -15.386 10.537 -3.598 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.884 9.980 -2.887 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.781 9.840 -5.002 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -14.290 9.787 -5.893 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.902 7.078 -2.211 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.793 6.419 -0.885 1.00 0.24 C ATOM 2036 C VAL B 34 -12.327 6.239 -0.477 1.00 0.24 C ATOM 2037 O VAL B 34 -11.482 5.857 -1.270 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.511 5.069 -0.931 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.747 4.113 -1.834 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.596 4.486 0.480 1.00 0.35 C ATOM 0 H VAL B 34 -13.111 6.940 -2.839 1.00 0.25 H new ATOM 0 HA VAL B 34 -14.265 7.054 -0.135 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.517 5.209 -1.326 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.261 3.152 -1.865 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -13.693 4.528 -2.840 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.739 3.973 -1.445 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -15.108 3.524 0.446 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.591 4.348 0.878 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -15.150 5.169 1.123 1.00 0.35 H new ATOM 2050 N ILE B 35 -12.039 6.522 0.774 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.646 6.386 1.298 1.00 0.21 C ATOM 2052 C ILE B 35 -10.567 5.214 2.282 1.00 0.21 C ATOM 2053 O ILE B 35 -11.343 5.129 3.214 1.00 0.23 O ATOM 2054 CB ILE B 35 -10.239 7.680 2.005 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.886 8.870 1.284 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.713 7.810 1.969 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -10.020 10.122 1.447 1.00 0.31 C ATOM 0 H ILE B 35 -12.721 6.845 1.460 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.968 6.196 0.466 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.574 7.664 3.042 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -11.010 8.640 0.226 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.881 9.052 1.689 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.414 8.730 2.471 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -8.263 6.957 2.477 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.374 7.835 0.933 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.490 10.959 0.931 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -9.919 10.359 2.506 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -9.034 9.940 1.020 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.624 4.317 2.087 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.481 3.153 3.017 1.00 0.26 C ATOM 2071 C LEU B 36 -8.200 3.294 3.844 1.00 0.24 C ATOM 2072 O LEU B 36 -7.114 3.415 3.313 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.432 1.843 2.222 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.807 1.168 2.294 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.866 2.101 1.707 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.788 -0.132 1.494 1.00 0.48 C ATOM 0 H LEU B 36 -8.949 4.344 1.323 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.342 3.136 3.685 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.163 2.041 1.184 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.666 1.183 2.629 1.00 0.30 H new ATOM 0 HG LEU B 36 -11.043 0.951 3.336 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.843 1.621 1.759 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -11.888 3.030 2.276 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.623 2.318 0.667 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.767 -0.607 1.549 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.547 0.085 0.453 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -10.035 -0.803 1.908 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.330 3.255 5.144 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.133 3.361 6.035 1.00 0.23 C ATOM 2090 C LYS B 37 -6.844 1.996 6.665 1.00 0.21 C ATOM 2091 O LYS B 37 -7.730 1.363 7.201 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.410 4.365 7.150 1.00 0.29 C ATOM 2093 CG LYS B 37 -8.335 5.470 6.635 1.00 1.26 C ATOM 2094 CD LYS B 37 -8.360 6.620 7.643 1.00 1.50 C ATOM 2095 CE LYS B 37 -7.397 7.720 7.187 1.00 2.39 C ATOM 2096 NZ LYS B 37 -7.087 8.616 8.338 1.00 2.74 N ATOM 0 H LYS B 37 -9.220 3.154 5.632 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.277 3.690 5.445 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -7.869 3.861 8.000 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -6.474 4.797 7.503 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -7.988 5.828 5.666 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -9.341 5.078 6.488 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -9.370 7.020 7.730 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -8.074 6.258 8.631 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -6.479 7.277 6.799 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -7.842 8.294 6.375 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -6.433 9.364 8.030 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -7.966 9.048 8.688 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -6.646 8.062 9.100 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.617 1.536 6.608 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.299 0.200 7.216 1.00 0.22 C ATOM 2112 C GLY B 38 -3.944 0.230 7.931 1.00 0.22 C ATOM 2113 O GLY B 38 -3.096 1.029 7.621 1.00 0.24 O ATOM 0 H GLY B 38 -4.830 2.018 6.174 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.081 -0.077 7.923 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.287 -0.564 6.438 1.00 0.22 H new ATOM 2117 N THR B 39 -3.771 -0.622 8.921 1.00 0.22 N ATOM 2118 CA THR B 39 -2.491 -0.624 9.709 1.00 0.25 C ATOM 2119 C THR B 39 -1.932 -2.037 9.920 1.00 0.23 C ATOM 2120 O THR B 39 -2.658 -2.970 10.161 1.00 0.20 O ATOM 2121 CB THR B 39 -2.761 -0.010 11.083 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.707 -0.812 11.777 1.00 0.29 O ATOM 2123 CG2 THR B 39 -3.315 1.406 10.917 1.00 0.49 C ATOM 0 H THR B 39 -4.460 -1.314 9.216 1.00 0.22 H new ATOM 0 HA THR B 39 -1.757 -0.051 9.143 1.00 0.25 H new ATOM 0 HB THR B 39 -1.831 0.034 11.650 1.00 0.28 H new ATOM 0 HG1 THR B 39 -3.881 -0.423 12.659 1.00 0.29 H new ATOM 0 HG21 THR B 39 -3.506 1.839 11.899 1.00 0.49 H new ATOM 0 HG22 THR B 39 -2.589 2.020 10.384 1.00 0.49 H new ATOM 0 HG23 THR B 39 -4.245 1.369 10.350 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.624 -2.171 9.848 1.00 0.25 N ATOM 2132 CA GLY B 40 0.057 -3.494 10.066 1.00 0.26 C ATOM 2133 C GLY B 40 -0.779 -4.660 9.534 1.00 0.25 C ATOM 2134 O GLY B 40 -0.511 -5.199 8.485 1.00 0.28 O ATOM 0 H GLY B 40 0.013 -1.402 9.643 1.00 0.25 H new ATOM 0 HA2 GLY B 40 1.028 -3.488 9.571 1.00 0.26 H new ATOM 0 HA3 GLY B 40 0.242 -3.636 11.131 1.00 0.26 H new ATOM 2138 N ARG B 41 -1.770 -5.073 10.264 1.00 0.23 N ATOM 2139 CA ARG B 41 -2.605 -6.212 9.799 1.00 0.24 C ATOM 2140 C ARG B 41 -3.670 -5.698 8.832 1.00 0.22 C ATOM 2141 O ARG B 41 -3.782 -6.167 7.717 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.267 -6.881 11.003 1.00 0.24 C ATOM 2143 CG ARG B 41 -2.498 -6.519 12.276 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.889 -7.481 13.398 1.00 0.94 C ATOM 2145 NE ARG B 41 -2.077 -8.725 13.289 1.00 1.74 N ATOM 2146 CZ ARG B 41 -0.813 -8.709 13.609 1.00 2.19 C ATOM 2147 NH1 ARG B 41 -0.259 -7.603 14.027 1.00 2.10 N ATOM 2148 NH2 ARG B 41 -0.101 -9.798 13.511 1.00 3.16 N ATOM 0 H ARG B 41 -2.040 -4.673 11.163 1.00 0.23 H new ATOM 0 HA ARG B 41 -1.980 -6.942 9.285 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.304 -6.557 11.088 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -3.281 -7.963 10.869 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -1.425 -6.573 12.093 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -2.720 -5.493 12.568 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -2.726 -7.011 14.368 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -3.951 -7.720 13.334 1.00 0.94 H new ATOM 0 HE ARG B 41 -2.510 -9.590 12.964 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -0.815 -6.751 14.103 1.00 2.10 H new ATOM 0 HH12 ARG B 41 0.730 -7.591 14.277 1.00 2.10 H new ATOM 0 HH21 ARG B 41 -0.533 -10.662 13.184 1.00 3.16 H new ATOM 0 HH22 ARG B 41 0.888 -9.785 13.761 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.467 -4.753 9.246 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.533 -4.238 8.346 1.00 0.17 C ATOM 2164 C GLU B 42 -4.904 -3.590 7.116 1.00 0.18 C ATOM 2165 O GLU B 42 -5.563 -3.372 6.114 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.388 -3.193 9.075 1.00 0.16 C ATOM 2167 CG GLU B 42 -5.820 -2.896 10.470 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.724 -1.893 11.188 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -7.102 -0.914 10.567 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -7.022 -2.121 12.350 1.00 1.38 O ATOM 0 H GLU B 42 -4.426 -4.316 10.167 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.163 -5.075 8.044 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.424 -2.274 8.490 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.413 -3.554 9.165 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.750 -3.817 11.049 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -4.810 -2.495 10.385 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.638 -3.283 7.171 1.00 0.19 N ATOM 2178 CA ILE B 43 -2.976 -2.656 5.996 1.00 0.23 C ATOM 2179 C ILE B 43 -3.083 -3.590 4.784 1.00 0.26 C ATOM 2180 O ILE B 43 -3.063 -3.156 3.650 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.507 -2.405 6.328 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -0.939 -1.381 5.344 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -0.737 -3.714 6.203 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.532 -1.110 5.656 1.00 0.85 C ATOM 0 H ILE B 43 -3.035 -3.439 7.978 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.464 -1.711 5.759 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.415 -2.023 7.345 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.040 -1.751 4.324 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.508 -0.453 5.404 1.00 0.34 H new ATOM 0 HG21 ILE B 43 0.313 -3.542 6.439 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.150 -4.446 6.897 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -0.823 -4.091 5.184 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.925 -0.380 4.949 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.623 -0.719 6.670 1.00 0.85 H new ATOM 0 HD13 ILE B 43 1.099 -2.037 5.572 1.00 0.85 H new ATOM 2196 N SER B 44 -3.205 -4.868 5.010 1.00 0.27 N ATOM 2197 CA SER B 44 -3.322 -5.812 3.865 1.00 0.31 C ATOM 2198 C SER B 44 -4.785 -5.871 3.456 1.00 0.30 C ATOM 2199 O SER B 44 -5.116 -6.120 2.314 1.00 0.32 O ATOM 2200 CB SER B 44 -2.846 -7.203 4.285 1.00 0.36 C ATOM 2201 OG SER B 44 -1.895 -7.078 5.335 1.00 1.12 O ATOM 0 H SER B 44 -3.229 -5.298 5.935 1.00 0.27 H new ATOM 0 HA SER B 44 -2.706 -5.474 3.032 1.00 0.31 H new ATOM 0 HB2 SER B 44 -3.692 -7.805 4.615 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.400 -7.719 3.435 1.00 0.36 H new ATOM 0 HG SER B 44 -1.051 -7.494 5.063 1.00 1.12 H new ATOM 2207 N LYS B 45 -5.664 -5.593 4.376 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.098 -5.582 4.016 1.00 0.26 C ATOM 2209 C LYS B 45 -7.281 -4.469 2.991 1.00 0.25 C ATOM 2210 O LYS B 45 -7.520 -4.730 1.830 1.00 0.27 O ATOM 2211 CB LYS B 45 -7.948 -5.313 5.258 1.00 0.26 C ATOM 2212 CG LYS B 45 -7.717 -6.426 6.291 1.00 0.40 C ATOM 2213 CD LYS B 45 -8.426 -7.717 5.860 1.00 0.91 C ATOM 2214 CE LYS B 45 -8.559 -8.648 7.067 1.00 0.81 C ATOM 2215 NZ LYS B 45 -9.767 -8.271 7.851 1.00 1.87 N ATOM 0 H LYS B 45 -5.451 -5.376 5.350 1.00 0.26 H new ATOM 0 HA LYS B 45 -7.412 -6.542 3.607 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -7.688 -4.345 5.687 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.003 -5.268 4.987 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -6.649 -6.611 6.402 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -8.088 -6.108 7.265 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -9.411 -7.486 5.454 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -7.861 -8.208 5.068 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -8.636 -9.683 6.735 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -7.669 -8.579 7.693 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -9.777 -8.797 8.748 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -9.748 -7.250 8.049 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -10.621 -8.502 7.305 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.185 -3.235 3.438 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.358 -2.044 2.531 1.00 0.21 C ATOM 2231 C ALA B 46 -7.044 -2.405 1.071 1.00 0.19 C ATOM 2232 O ALA B 46 -7.742 -2.010 0.157 1.00 0.22 O ATOM 2233 CB ALA B 46 -6.416 -0.928 2.983 1.00 0.26 C ATOM 0 H ALA B 46 -6.991 -2.997 4.411 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.396 -1.716 2.590 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -6.537 -0.063 2.330 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -6.653 -0.645 4.008 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.385 -1.279 2.933 1.00 0.26 H new ATOM 2239 N VAL B 47 -5.992 -3.139 0.847 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.629 -3.521 -0.552 1.00 0.18 C ATOM 2241 C VAL B 47 -6.530 -4.660 -1.045 1.00 0.18 C ATOM 2242 O VAL B 47 -7.236 -4.523 -2.022 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.170 -3.980 -0.615 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.841 -4.408 -2.050 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.260 -2.825 -0.206 1.00 0.27 C ATOM 0 H VAL B 47 -5.365 -3.493 1.570 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.765 -2.647 -1.189 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.016 -4.820 0.062 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.803 -4.736 -2.103 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.496 -5.228 -2.345 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -3.989 -3.565 -2.724 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.220 -3.148 -0.250 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.408 -1.986 -0.886 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.501 -2.514 0.811 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.505 -5.786 -0.385 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.352 -6.934 -0.830 1.00 0.23 C ATOM 2257 C ASP B 48 -8.766 -6.438 -1.127 1.00 0.26 C ATOM 2258 O ASP B 48 -9.239 -6.514 -2.243 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.408 -7.990 0.274 1.00 0.24 C ATOM 2260 CG ASP B 48 -7.422 -9.385 -0.354 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -8.187 -9.587 -1.283 1.00 1.25 O ATOM 2262 OD2 ASP B 48 -6.668 -10.227 0.104 1.00 1.08 O ATOM 0 H ASP B 48 -5.936 -5.962 0.443 1.00 0.20 H new ATOM 0 HA ASP B 48 -6.921 -7.372 -1.730 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.548 -7.886 0.935 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.299 -7.846 0.885 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.430 -5.932 -0.126 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.816 -5.418 -0.325 1.00 0.32 C ATOM 2269 C VAL B 49 -10.864 -4.621 -1.628 1.00 0.31 C ATOM 2270 O VAL B 49 -11.700 -4.850 -2.479 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.207 -4.510 0.842 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -11.150 -5.303 2.139 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -10.232 -3.345 0.934 1.00 0.96 C ATOM 0 H VAL B 49 -9.072 -5.851 0.826 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.513 -6.255 -0.373 1.00 0.32 H new ATOM 0 HB VAL B 49 -12.216 -4.132 0.680 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -11.428 -4.658 2.972 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -11.843 -6.143 2.083 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -10.138 -5.677 2.292 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -10.513 -2.700 1.766 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -9.224 -3.726 1.095 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.260 -2.773 0.006 1.00 0.96 H new ATOM 2283 N TYR B 50 -9.972 -3.682 -1.789 1.00 0.33 N ATOM 2284 CA TYR B 50 -9.963 -2.866 -3.035 1.00 0.36 C ATOM 2285 C TYR B 50 -9.700 -3.764 -4.236 1.00 0.32 C ATOM 2286 O TYR B 50 -10.423 -3.730 -5.212 1.00 0.32 O ATOM 2287 CB TYR B 50 -8.868 -1.803 -2.950 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.172 -1.677 -4.290 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -7.069 -2.482 -4.586 1.00 2.17 C ATOM 2290 CD2 TYR B 50 -8.630 -0.752 -5.237 1.00 1.93 C ATOM 2291 CE1 TYR B 50 -6.427 -2.365 -5.823 1.00 3.03 C ATOM 2292 CE2 TYR B 50 -7.988 -0.635 -6.473 1.00 2.76 C ATOM 2293 CZ TYR B 50 -6.885 -1.441 -6.767 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.251 -1.328 -7.987 1.00 4.11 O ATOM 0 H TYR B 50 -9.248 -3.445 -1.110 1.00 0.33 H new ATOM 0 HA TYR B 50 -10.932 -2.381 -3.148 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -9.300 -0.844 -2.662 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -8.146 -2.072 -2.179 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -6.712 -3.196 -3.858 1.00 2.17 H new ATOM 0 HD2 TYR B 50 -9.482 -0.127 -5.011 1.00 1.93 H new ATOM 0 HE1 TYR B 50 -5.576 -2.990 -6.049 1.00 3.03 H new ATOM 0 HE2 TYR B 50 -8.345 0.079 -7.201 1.00 2.76 H new ATOM 0 HH TYR B 50 -5.330 -1.652 -7.908 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.679 -4.575 -4.184 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.411 -5.460 -5.345 1.00 0.30 C ATOM 2306 C ASN B 51 -9.678 -6.251 -5.632 1.00 0.29 C ATOM 2307 O ASN B 51 -10.188 -6.260 -6.736 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.270 -6.421 -5.026 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.101 -7.397 -6.192 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -6.200 -7.254 -6.994 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -7.943 -8.386 -6.328 1.00 1.19 N ATOM 0 H ASN B 51 -8.031 -4.661 -3.401 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.125 -4.863 -6.211 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.346 -5.867 -4.862 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.483 -6.966 -4.106 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -7.843 -9.037 -7.107 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -8.700 -8.507 -5.655 1.00 1.19 H new ATOM 2318 N SER B 52 -10.184 -6.929 -4.643 1.00 0.29 N ATOM 2319 CA SER B 52 -11.412 -7.733 -4.859 1.00 0.31 C ATOM 2320 C SER B 52 -12.531 -6.807 -5.328 1.00 0.29 C ATOM 2321 O SER B 52 -13.325 -7.161 -6.176 1.00 0.33 O ATOM 2322 CB SER B 52 -11.840 -8.414 -3.565 1.00 0.34 C ATOM 2323 OG SER B 52 -10.844 -8.218 -2.571 1.00 0.65 O ATOM 0 H SER B 52 -9.801 -6.960 -3.698 1.00 0.29 H new ATOM 0 HA SER B 52 -11.209 -8.498 -5.609 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.792 -8.006 -3.225 1.00 0.34 H new ATOM 0 HB3 SER B 52 -11.992 -9.480 -3.736 1.00 0.34 H new ATOM 0 HG SER B 52 -10.760 -7.261 -2.376 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.597 -5.617 -4.797 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.653 -4.673 -5.228 1.00 0.27 C ATOM 2331 C LEU B 53 -13.386 -4.282 -6.682 1.00 0.27 C ATOM 2332 O LEU B 53 -14.280 -3.937 -7.431 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.593 -3.413 -4.356 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.805 -2.516 -4.640 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -16.015 -2.971 -3.816 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.461 -1.072 -4.273 1.00 0.38 C ATOM 0 H LEU B 53 -11.962 -5.262 -4.082 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.634 -5.138 -5.132 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.576 -3.691 -3.302 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.671 -2.866 -4.556 1.00 0.27 H new ATOM 0 HG LEU B 53 -15.053 -2.585 -5.699 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -16.865 -2.323 -4.030 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -16.267 -3.999 -4.077 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -15.774 -2.915 -2.754 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.320 -0.431 -4.473 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.206 -1.016 -3.215 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.612 -0.738 -4.869 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.164 -4.401 -7.107 1.00 0.28 N ATOM 2349 CA LYS B 54 -11.829 -4.077 -8.515 1.00 0.32 C ATOM 2350 C LYS B 54 -12.293 -5.237 -9.381 1.00 0.34 C ATOM 2351 O LYS B 54 -12.825 -5.067 -10.462 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.306 -3.926 -8.615 1.00 0.34 C ATOM 2353 CG LYS B 54 -9.911 -3.038 -9.802 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.784 -3.870 -11.081 1.00 0.49 C ATOM 2355 CE LYS B 54 -9.171 -3.000 -12.179 1.00 0.49 C ATOM 2356 NZ LYS B 54 -7.790 -3.477 -12.474 1.00 0.99 N ATOM 0 H LYS B 54 -11.378 -4.711 -6.535 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.311 -3.156 -8.843 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -9.920 -3.495 -7.691 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -9.847 -4.909 -8.725 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -10.658 -2.257 -9.943 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -8.965 -2.540 -9.591 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -9.160 -4.745 -10.901 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.763 -4.235 -11.392 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.784 -3.046 -13.079 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -9.148 -1.957 -11.862 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -7.371 -2.887 -13.221 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -7.209 -3.412 -11.614 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -7.825 -4.466 -12.794 1.00 0.99 H new ATOM 2370 N ASP B 55 -12.104 -6.414 -8.879 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.524 -7.637 -9.600 1.00 0.47 C ATOM 2372 C ASP B 55 -14.009 -7.556 -9.898 1.00 0.47 C ATOM 2373 O ASP B 55 -14.544 -8.342 -10.654 1.00 0.52 O ATOM 2374 CB ASP B 55 -12.283 -8.840 -8.693 1.00 0.51 C ATOM 2375 CG ASP B 55 -11.064 -9.628 -9.176 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -10.161 -9.013 -9.719 1.00 1.46 O ATOM 2377 OD2 ASP B 55 -11.056 -10.834 -8.995 1.00 1.23 O ATOM 0 H ASP B 55 -11.664 -6.586 -7.975 1.00 0.41 H new ATOM 0 HA ASP B 55 -11.960 -7.732 -10.528 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -12.127 -8.506 -7.667 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -13.163 -9.483 -8.688 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.693 -6.632 -9.291 1.00 0.42 N ATOM 2383 CA ARG B 56 -16.151 -6.542 -9.532 1.00 0.44 C ATOM 2384 C ARG B 56 -16.399 -5.969 -10.918 1.00 0.43 C ATOM 2385 O ARG B 56 -17.249 -6.441 -11.644 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.796 -5.645 -8.477 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.266 -6.009 -7.084 1.00 0.50 C ATOM 2388 CD ARG B 56 -16.831 -7.351 -6.620 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.321 -7.315 -6.635 1.00 1.01 N ATOM 2390 CZ ARG B 56 -18.996 -8.156 -5.898 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -18.364 -9.031 -5.164 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.301 -8.127 -5.894 1.00 1.71 N ATOM 0 H ARG B 56 -14.309 -5.942 -8.645 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.591 -7.537 -9.468 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.580 -4.599 -8.696 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -17.880 -5.759 -8.504 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.177 -6.056 -7.105 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.537 -5.230 -6.372 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.473 -8.149 -7.270 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -16.475 -7.575 -5.614 1.00 0.64 H new ATOM 0 HE ARG B 56 -18.811 -6.637 -7.218 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -17.344 -9.057 -5.166 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -18.890 -9.688 -4.588 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.798 -7.446 -6.468 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.824 -8.786 -5.317 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.680 -4.951 -11.295 1.00 0.41 N ATOM 2407 CA LEU B 57 -15.927 -4.372 -12.641 1.00 0.48 C ATOM 2408 C LEU B 57 -14.697 -3.659 -13.197 1.00 0.43 C ATOM 2409 O LEU B 57 -14.567 -3.520 -14.395 1.00 0.44 O ATOM 2410 CB LEU B 57 -17.092 -3.384 -12.557 1.00 0.58 C ATOM 2411 CG LEU B 57 -17.876 -3.399 -13.873 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -18.915 -4.522 -13.840 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -18.588 -2.057 -14.052 1.00 1.77 C ATOM 0 H LEU B 57 -14.948 -4.503 -10.743 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.166 -5.192 -13.318 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.748 -3.650 -11.728 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -16.717 -2.380 -12.357 1.00 0.58 H new ATOM 0 HG LEU B 57 -17.189 -3.565 -14.703 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -19.471 -4.531 -14.777 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -18.412 -5.480 -13.708 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.603 -4.357 -13.011 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -19.147 -2.064 -14.988 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -19.274 -1.895 -13.220 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -17.851 -1.254 -14.076 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.787 -3.210 -12.372 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.589 -2.509 -12.920 1.00 0.36 C ATOM 2427 C GLY B 58 -13.023 -1.203 -13.595 1.00 0.35 C ATOM 2428 O GLY B 58 -12.587 -0.128 -13.236 1.00 0.35 O ATOM 0 H GLY B 58 -13.820 -3.297 -11.356 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -11.880 -2.298 -12.119 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -12.077 -3.149 -13.639 1.00 0.36 H new ATOM 2432 N ASP B 59 -13.876 -1.295 -14.577 1.00 0.40 N ATOM 2433 CA ASP B 59 -14.345 -0.077 -15.295 1.00 0.44 C ATOM 2434 C ASP B 59 -15.244 0.747 -14.380 1.00 0.38 C ATOM 2435 O ASP B 59 -15.144 1.954 -14.326 1.00 0.40 O ATOM 2436 CB ASP B 59 -15.139 -0.496 -16.533 1.00 0.53 C ATOM 2437 CG ASP B 59 -14.587 0.224 -17.764 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -14.922 1.382 -17.950 1.00 1.11 O ATOM 2439 OD2 ASP B 59 -13.841 -0.396 -18.503 1.00 1.40 O ATOM 0 H ASP B 59 -14.272 -2.172 -14.916 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.483 0.521 -15.591 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -15.074 -1.575 -16.671 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -16.194 -0.254 -16.400 1.00 0.53 H new ATOM 2444 N GLY B 60 -16.118 0.109 -13.659 1.00 0.34 N ATOM 2445 CA GLY B 60 -17.022 0.860 -12.751 1.00 0.31 C ATOM 2446 C GLY B 60 -16.302 1.108 -11.433 1.00 0.29 C ATOM 2447 O GLY B 60 -16.919 1.269 -10.401 1.00 0.28 O ATOM 0 H GLY B 60 -16.246 -0.903 -13.659 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -17.312 1.807 -13.206 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.938 0.295 -12.580 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.999 1.134 -11.456 1.00 0.29 N ATOM 2452 CA VAL B 61 -14.224 1.364 -10.213 1.00 0.28 C ATOM 2453 C VAL B 61 -12.875 1.960 -10.621 1.00 0.30 C ATOM 2454 O VAL B 61 -12.243 1.492 -11.548 1.00 0.46 O ATOM 2455 CB VAL B 61 -14.007 0.030 -9.496 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -13.046 0.228 -8.326 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -15.345 -0.496 -8.971 1.00 0.39 C ATOM 0 H VAL B 61 -14.434 1.004 -12.295 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.754 2.038 -9.540 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.584 -0.690 -10.197 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.892 -0.723 -7.816 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -12.091 0.598 -8.698 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -13.468 0.950 -7.627 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -15.187 -1.446 -8.461 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -15.770 0.225 -8.273 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -16.031 -0.642 -9.805 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.463 3.023 -9.984 1.00 0.28 N ATOM 2468 CA GLN B 62 -11.192 3.691 -10.388 1.00 0.30 C ATOM 2469 C GLN B 62 -10.325 4.058 -9.188 1.00 0.29 C ATOM 2470 O GLN B 62 -10.800 4.299 -8.098 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.549 4.976 -11.117 1.00 0.31 C ATOM 2472 CG GLN B 62 -11.216 4.840 -12.597 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.698 4.847 -12.788 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -9.133 3.896 -13.289 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -9.012 5.889 -12.408 1.00 1.42 N ATOM 0 H GLN B 62 -12.952 3.458 -9.201 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.630 2.999 -11.015 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.610 5.193 -10.992 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -11.000 5.813 -10.687 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.637 3.915 -12.991 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.666 5.659 -13.158 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.488 6.687 -11.987 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -8.000 5.906 -12.531 1.00 1.42 H new ATOM 2484 N LEU B 63 -9.042 4.124 -9.415 1.00 0.33 N ATOM 2485 CA LEU B 63 -8.076 4.500 -8.349 1.00 0.33 C ATOM 2486 C LEU B 63 -7.833 6.008 -8.449 1.00 0.34 C ATOM 2487 O LEU B 63 -7.284 6.480 -9.424 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.770 3.731 -8.606 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.728 4.022 -7.515 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.969 2.731 -7.174 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.721 5.063 -8.023 1.00 0.52 C ATOM 0 H LEU B 63 -8.614 3.927 -10.320 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.452 4.257 -7.355 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.976 2.661 -8.639 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.367 4.009 -9.580 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.238 4.402 -6.630 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -4.230 2.937 -6.400 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.672 1.980 -6.813 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.466 2.358 -8.066 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.984 5.266 -7.246 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -4.217 4.679 -8.910 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.246 5.984 -8.275 1.00 0.52 H new ATOM 2503 N VAL B 64 -8.252 6.770 -7.472 1.00 0.33 N ATOM 2504 CA VAL B 64 -8.047 8.249 -7.550 1.00 0.37 C ATOM 2505 C VAL B 64 -6.839 8.660 -6.717 1.00 0.36 C ATOM 2506 O VAL B 64 -6.321 9.747 -6.873 1.00 0.41 O ATOM 2507 CB VAL B 64 -9.274 9.002 -7.033 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -10.059 9.566 -8.219 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -10.160 8.061 -6.212 1.00 1.43 C ATOM 0 H VAL B 64 -8.723 6.437 -6.631 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.883 8.503 -8.597 1.00 0.37 H new ATOM 0 HB VAL B 64 -8.952 9.823 -6.392 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.934 10.103 -7.854 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -9.424 10.248 -8.784 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -10.379 8.749 -8.865 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -11.031 8.606 -5.848 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.487 7.231 -6.838 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.594 7.675 -5.364 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.371 7.820 -5.832 1.00 0.32 N ATOM 2520 CA ASN B 65 -5.189 8.221 -5.020 1.00 0.34 C ATOM 2521 C ASN B 65 -4.753 7.069 -4.119 1.00 0.30 C ATOM 2522 O ASN B 65 -5.528 6.196 -3.790 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.571 9.416 -4.157 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.737 10.632 -4.567 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -3.531 10.634 -4.416 1.00 1.28 O ATOM 2526 ND2 ASN B 65 -5.332 11.674 -5.081 1.00 1.09 N ATOM 0 H ASN B 65 -6.748 6.892 -5.640 1.00 0.32 H new ATOM 0 HA ASN B 65 -4.365 8.481 -5.684 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.633 9.635 -4.271 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -5.404 9.186 -3.105 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -4.785 12.490 -5.356 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -6.344 11.672 -5.208 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.511 7.072 -3.712 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.998 5.993 -2.825 1.00 0.26 C ATOM 2535 C VAL B 66 -1.728 6.484 -2.130 1.00 0.27 C ATOM 2536 O VAL B 66 -0.830 7.014 -2.755 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.647 4.750 -3.651 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -1.898 3.749 -2.769 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.917 4.086 -4.187 1.00 0.66 C ATOM 0 H VAL B 66 -2.825 7.785 -3.960 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.766 5.740 -2.094 1.00 0.26 H new ATOM 0 HB VAL B 66 -2.022 5.055 -4.491 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.648 2.864 -3.355 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -0.983 4.208 -2.395 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.529 3.461 -1.929 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.649 3.206 -4.771 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.552 3.788 -3.353 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.456 4.790 -4.820 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.654 6.303 -0.844 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.447 6.748 -0.104 1.00 0.28 C ATOM 2551 C GLN B 67 -0.109 5.753 0.991 1.00 0.25 C ATOM 2552 O GLN B 67 -0.926 4.958 1.412 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.678 8.129 0.513 1.00 0.29 C ATOM 2554 CG GLN B 67 0.673 8.813 0.730 1.00 0.37 C ATOM 2555 CD GLN B 67 0.454 10.183 1.376 1.00 0.64 C ATOM 2556 OE1 GLN B 67 0.495 10.311 2.583 1.00 1.11 O ATOM 2557 NE2 GLN B 67 0.222 11.220 0.617 1.00 1.44 N ATOM 0 H GLN B 67 -2.378 5.866 -0.274 1.00 0.25 H new ATOM 0 HA GLN B 67 0.385 6.807 -0.806 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -1.305 8.734 -0.143 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -1.208 8.033 1.461 1.00 0.29 H new ATOM 0 HG2 GLN B 67 1.307 8.196 1.367 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.192 8.927 -0.222 1.00 0.37 H new ATOM 0 HE21 GLN B 67 0.188 11.113 -0.397 1.00 1.44 H new ATOM 0 HE22 GLN B 67 0.075 12.137 1.038 1.00 1.44 H new ATOM 2566 N THR B 68 1.106 5.798 1.438 1.00 0.26 N ATOM 2567 CA THR B 68 1.559 4.870 2.497 1.00 0.26 C ATOM 2568 C THR B 68 2.370 5.659 3.504 1.00 0.25 C ATOM 2569 O THR B 68 2.984 6.651 3.171 1.00 0.33 O ATOM 2570 CB THR B 68 2.460 3.792 1.881 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.149 4.337 0.766 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.628 2.602 1.428 1.00 0.45 C ATOM 0 H THR B 68 1.817 6.451 1.108 1.00 0.26 H new ATOM 0 HA THR B 68 0.699 4.401 2.974 1.00 0.26 H new ATOM 0 HB THR B 68 3.175 3.457 2.632 1.00 0.33 H new ATOM 0 HG1 THR B 68 2.701 4.063 -0.061 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.281 1.846 0.993 1.00 0.45 H new ATOM 0 HG22 THR B 68 1.102 2.179 2.284 1.00 0.45 H new ATOM 0 HG23 THR B 68 0.903 2.928 0.682 1.00 0.45 H new ATOM 2580 N GLY B 69 2.398 5.231 4.727 1.00 0.24 N ATOM 2581 CA GLY B 69 3.196 5.948 5.755 1.00 0.28 C ATOM 2582 C GLY B 69 3.121 5.128 7.047 1.00 0.26 C ATOM 2583 O GLY B 69 2.183 4.392 7.252 1.00 0.29 O ATOM 0 H GLY B 69 1.899 4.408 5.065 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.231 6.058 5.430 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.803 6.952 5.914 1.00 0.28 H new ATOM 2587 N SER B 70 4.095 5.236 7.908 1.00 0.24 N ATOM 2588 CA SER B 70 4.063 4.470 9.189 1.00 0.25 C ATOM 2589 C SER B 70 3.563 5.382 10.313 1.00 0.29 C ATOM 2590 O SER B 70 3.583 6.590 10.193 1.00 0.31 O ATOM 2591 CB SER B 70 5.467 3.964 9.519 1.00 0.27 C ATOM 2592 OG SER B 70 6.233 5.029 10.065 1.00 0.39 O ATOM 0 H SER B 70 4.918 5.825 7.780 1.00 0.24 H new ATOM 0 HA SER B 70 3.391 3.618 9.088 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.411 3.139 10.229 1.00 0.27 H new ATOM 0 HB3 SER B 70 5.948 3.578 8.620 1.00 0.27 H new ATOM 0 HG SER B 70 7.183 4.787 10.056 1.00 0.39 H new ATOM 2598 N GLU B 71 3.126 4.819 11.414 1.00 0.32 N ATOM 2599 CA GLU B 71 2.633 5.672 12.539 1.00 0.39 C ATOM 2600 C GLU B 71 2.967 5.020 13.868 1.00 0.40 C ATOM 2601 O GLU B 71 3.167 3.827 13.946 1.00 0.37 O ATOM 2602 CB GLU B 71 1.112 5.834 12.446 1.00 0.40 C ATOM 2603 CG GLU B 71 0.398 4.499 12.717 1.00 0.49 C ATOM 2604 CD GLU B 71 -1.112 4.709 12.609 1.00 0.68 C ATOM 2605 OE1 GLU B 71 -1.622 5.558 13.322 1.00 1.26 O ATOM 2606 OE2 GLU B 71 -1.734 4.016 11.823 1.00 1.49 O ATOM 0 H GLU B 71 3.090 3.813 11.581 1.00 0.32 H new ATOM 0 HA GLU B 71 3.116 6.647 12.471 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.778 6.582 13.165 1.00 0.40 H new ATOM 0 HB3 GLU B 71 0.842 6.201 11.456 1.00 0.40 H new ATOM 0 HG2 GLU B 71 0.725 3.745 12.001 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.656 4.129 13.709 1.00 0.49 H new ATOM 2613 N VAL B 72 2.993 5.787 14.923 1.00 0.45 N ATOM 2614 CA VAL B 72 3.284 5.189 16.249 1.00 0.49 C ATOM 2615 C VAL B 72 1.976 4.805 16.934 1.00 0.52 C ATOM 2616 O VAL B 72 1.379 5.602 17.629 1.00 0.71 O ATOM 2617 CB VAL B 72 4.035 6.191 17.119 1.00 0.59 C ATOM 2618 CG1 VAL B 72 4.532 5.482 18.379 1.00 0.56 C ATOM 2619 CG2 VAL B 72 5.229 6.751 16.342 1.00 0.87 C ATOM 0 H VAL B 72 2.826 6.793 14.922 1.00 0.45 H new ATOM 0 HA VAL B 72 3.900 4.301 16.111 1.00 0.49 H new ATOM 0 HB VAL B 72 3.371 7.010 17.395 1.00 0.59 H new ATOM 0 HG11 VAL B 72 5.071 6.191 19.007 1.00 0.56 H new ATOM 0 HG12 VAL B 72 3.681 5.082 18.931 1.00 0.56 H new ATOM 0 HG13 VAL B 72 5.199 4.667 18.099 1.00 0.56 H new ATOM 0 HG21 VAL B 72 5.765 7.467 16.965 1.00 0.87 H new ATOM 0 HG22 VAL B 72 5.899 5.936 16.067 1.00 0.87 H new ATOM 0 HG23 VAL B 72 4.875 7.249 15.440 1.00 0.87 H new ATOM 2629 N ARG B 73 1.509 3.598 16.735 1.00 0.47 N ATOM 2630 CA ARG B 73 0.227 3.179 17.360 1.00 0.50 C ATOM 2631 C ARG B 73 0.505 2.413 18.646 1.00 0.54 C ATOM 2632 O ARG B 73 1.024 1.316 18.629 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.533 2.278 16.386 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.001 2.187 16.808 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.732 1.197 15.900 1.00 0.72 C ATOM 2636 NE ARG B 73 -4.088 0.921 16.453 1.00 0.90 N ATOM 2637 CZ ARG B 73 -4.223 0.134 17.485 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -3.172 -0.408 18.036 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -5.411 -0.111 17.966 1.00 1.68 N ATOM 0 H ARG B 73 1.965 2.886 16.164 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.370 4.061 17.592 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.459 2.676 15.374 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.086 1.284 16.371 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.073 1.865 17.847 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.470 3.169 16.745 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.815 1.605 14.892 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.164 0.270 15.823 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.910 1.347 16.025 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -2.243 -0.217 17.660 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -3.279 -1.023 18.843 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.233 0.313 17.535 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -5.518 -0.726 18.773 1.00 1.68 H new ATOM 2653 N ASP B 74 0.153 2.990 19.753 1.00 0.59 N ATOM 2654 CA ASP B 74 0.370 2.323 21.065 1.00 0.65 C ATOM 2655 C ASP B 74 1.835 2.465 21.462 1.00 0.65 C ATOM 2656 O ASP B 74 2.440 1.549 21.982 1.00 0.67 O ATOM 2657 CB ASP B 74 0.001 0.843 20.968 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.552 0.366 22.312 1.00 0.76 C ATOM 2659 OD1 ASP B 74 0.212 0.320 23.262 1.00 1.25 O ATOM 2660 OD2 ASP B 74 -1.730 0.054 22.368 1.00 1.35 O ATOM 0 H ASP B 74 -0.283 3.910 19.809 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.262 2.793 21.819 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -0.741 0.693 20.184 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.878 0.256 20.694 1.00 0.66 H new ATOM 2665 N ARG B 75 2.411 3.606 21.201 1.00 0.64 N ATOM 2666 CA ARG B 75 3.844 3.830 21.541 1.00 0.66 C ATOM 2667 C ARG B 75 4.710 2.847 20.752 1.00 0.60 C ATOM 2668 O ARG B 75 5.809 2.514 21.149 1.00 0.65 O ATOM 2669 CB ARG B 75 4.072 3.655 23.050 1.00 0.75 C ATOM 2670 CG ARG B 75 4.203 5.030 23.705 1.00 0.85 C ATOM 2671 CD ARG B 75 2.958 5.858 23.392 1.00 0.86 C ATOM 2672 NE ARG B 75 2.474 6.524 24.636 1.00 1.19 N ATOM 2673 CZ ARG B 75 3.212 7.426 25.223 1.00 1.81 C ATOM 2674 NH1 ARG B 75 4.374 7.747 24.723 1.00 2.57 N ATOM 2675 NH2 ARG B 75 2.786 8.008 26.312 1.00 2.18 N ATOM 0 H ARG B 75 1.945 4.400 20.762 1.00 0.64 H new ATOM 0 HA ARG B 75 4.122 4.849 21.273 1.00 0.66 H new ATOM 0 HB2 ARG B 75 3.241 3.106 23.494 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.973 3.068 23.227 1.00 0.75 H new ATOM 0 HG2 ARG B 75 4.321 4.922 24.783 1.00 0.85 H new ATOM 0 HG3 ARG B 75 5.094 5.538 23.336 1.00 0.85 H new ATOM 0 HD2 ARG B 75 3.188 6.606 22.633 1.00 0.86 H new ATOM 0 HD3 ARG B 75 2.177 5.218 22.983 1.00 0.86 H new ATOM 0 HE ARG B 75 1.566 6.274 25.028 1.00 1.19 H new ATOM 0 HH11 ARG B 75 4.706 7.293 23.872 1.00 2.57 H new ATOM 0 HH12 ARG B 75 4.950 8.452 25.183 1.00 2.57 H new ATOM 0 HH21 ARG B 75 1.878 7.757 26.702 1.00 2.18 H new ATOM 0 HH22 ARG B 75 3.362 8.713 26.772 1.00 2.18 H new ATOM 2689 N ARG B 76 4.242 2.406 19.613 1.00 0.50 N ATOM 2690 CA ARG B 76 5.053 1.474 18.784 1.00 0.44 C ATOM 2691 C ARG B 76 4.777 1.767 17.319 1.00 0.40 C ATOM 2692 O ARG B 76 3.705 2.203 16.955 1.00 0.39 O ATOM 2693 CB ARG B 76 4.668 0.027 19.027 1.00 0.45 C ATOM 2694 CG ARG B 76 5.863 -0.754 19.585 1.00 0.62 C ATOM 2695 CD ARG B 76 6.249 -0.220 20.965 1.00 1.29 C ATOM 2696 NE ARG B 76 6.751 -1.346 21.803 1.00 1.55 N ATOM 2697 CZ ARG B 76 7.325 -1.103 22.949 1.00 2.38 C ATOM 2698 NH1 ARG B 76 7.458 0.126 23.367 1.00 3.14 N ATOM 2699 NH2 ARG B 76 7.768 -2.092 23.679 1.00 2.85 N ATOM 0 H ARG B 76 3.332 2.653 19.223 1.00 0.50 H new ATOM 0 HA ARG B 76 6.101 1.618 19.048 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.834 -0.022 19.727 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.330 -0.428 18.096 1.00 0.45 H new ATOM 0 HG2 ARG B 76 5.614 -1.813 19.654 1.00 0.62 H new ATOM 0 HG3 ARG B 76 6.711 -0.670 18.905 1.00 0.62 H new ATOM 0 HD2 ARG B 76 7.016 0.548 20.869 1.00 1.29 H new ATOM 0 HD3 ARG B 76 5.387 0.248 21.441 1.00 1.29 H new ATOM 0 HE ARG B 76 6.646 -2.308 21.480 1.00 1.55 H new ATOM 0 HH11 ARG B 76 7.113 0.899 22.797 1.00 3.14 H new ATOM 0 HH12 ARG B 76 7.907 0.314 24.263 1.00 3.14 H new ATOM 0 HH21 ARG B 76 7.665 -3.053 23.353 1.00 2.85 H new ATOM 0 HH22 ARG B 76 8.217 -1.903 24.575 1.00 2.85 H new ATOM 2713 N ARG B 77 5.751 1.566 16.492 1.00 0.38 N ATOM 2714 CA ARG B 77 5.563 1.891 15.051 1.00 0.34 C ATOM 2715 C ARG B 77 4.958 0.744 14.273 1.00 0.30 C ATOM 2716 O ARG B 77 5.329 -0.406 14.397 1.00 0.32 O ATOM 2717 CB ARG B 77 6.875 2.316 14.392 1.00 0.36 C ATOM 2718 CG ARG B 77 6.558 3.198 13.169 1.00 0.47 C ATOM 2719 CD ARG B 77 7.846 3.803 12.613 1.00 0.48 C ATOM 2720 NE ARG B 77 7.756 5.289 12.668 1.00 1.12 N ATOM 2721 CZ ARG B 77 8.840 6.010 12.592 1.00 1.45 C ATOM 2722 NH1 ARG B 77 10.001 5.429 12.479 1.00 1.69 N ATOM 2723 NH2 ARG B 77 8.762 7.312 12.632 1.00 2.39 N ATOM 0 H ARG B 77 6.667 1.193 16.743 1.00 0.38 H new ATOM 0 HA ARG B 77 4.864 2.727 15.025 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.493 2.865 15.102 1.00 0.36 H new ATOM 0 HB3 ARG B 77 7.445 1.438 14.086 1.00 0.36 H new ATOM 0 HG2 ARG B 77 6.064 2.604 12.400 1.00 0.47 H new ATOM 0 HG3 ARG B 77 5.866 3.992 13.452 1.00 0.47 H new ATOM 0 HD2 ARG B 77 8.703 3.457 13.191 1.00 0.48 H new ATOM 0 HD3 ARG B 77 8.002 3.474 11.585 1.00 0.48 H new ATOM 0 HE ARG B 77 6.847 5.742 12.765 1.00 1.12 H new ATOM 0 HH11 ARG B 77 10.061 4.411 12.450 1.00 1.69 H new ATOM 0 HH12 ARG B 77 10.849 5.992 12.419 1.00 1.69 H new ATOM 0 HH21 ARG B 77 7.853 7.766 12.723 1.00 2.39 H new ATOM 0 HH22 ARG B 77 9.610 7.876 12.573 1.00 2.39 H new ATOM 2737 N ILE B 78 3.995 1.091 13.470 1.00 0.26 N ATOM 2738 CA ILE B 78 3.277 0.105 12.644 1.00 0.23 C ATOM 2739 C ILE B 78 3.089 0.715 11.260 1.00 0.21 C ATOM 2740 O ILE B 78 3.031 1.920 11.107 1.00 0.22 O ATOM 2741 CB ILE B 78 1.907 -0.143 13.283 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.171 -1.288 12.567 1.00 0.26 C ATOM 2743 CG2 ILE B 78 1.066 1.131 13.188 1.00 0.32 C ATOM 2744 CD1 ILE B 78 0.319 -2.048 13.583 1.00 0.58 C ATOM 0 H ILE B 78 3.671 2.051 13.354 1.00 0.26 H new ATOM 0 HA ILE B 78 3.826 -0.834 12.572 1.00 0.23 H new ATOM 0 HB ILE B 78 2.055 -0.420 14.327 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.541 -0.890 11.771 1.00 0.26 H new ATOM 0 HG13 ILE B 78 1.889 -1.962 12.099 1.00 0.26 H new ATOM 0 HG21 ILE B 78 0.090 0.958 13.642 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.572 1.941 13.713 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.936 1.404 12.141 1.00 0.32 H new ATOM 0 HD11 ILE B 78 -0.206 -2.861 13.082 1.00 0.58 H new ATOM 0 HD12 ILE B 78 0.961 -2.457 14.363 1.00 0.58 H new ATOM 0 HD13 ILE B 78 -0.407 -1.369 14.030 1.00 0.58 H new ATOM 2756 N SER B 79 3.043 -0.089 10.252 1.00 0.20 N ATOM 2757 CA SER B 79 2.919 0.460 8.881 1.00 0.19 C ATOM 2758 C SER B 79 1.441 0.660 8.542 1.00 0.20 C ATOM 2759 O SER B 79 0.581 -0.063 9.004 1.00 0.22 O ATOM 2760 CB SER B 79 3.568 -0.522 7.893 1.00 0.22 C ATOM 2761 OG SER B 79 4.048 -1.651 8.609 1.00 0.61 O ATOM 0 H SER B 79 3.086 -1.106 10.313 1.00 0.20 H new ATOM 0 HA SER B 79 3.424 1.424 8.815 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.843 -0.834 7.141 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.387 -0.036 7.363 1.00 0.22 H new ATOM 0 HG SER B 79 4.570 -2.222 8.008 1.00 0.61 H new ATOM 2767 N TYR B 80 1.156 1.644 7.729 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.266 1.904 7.341 1.00 0.29 C ATOM 2769 C TYR B 80 -0.359 2.279 5.873 1.00 0.29 C ATOM 2770 O TYR B 80 0.552 2.842 5.300 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.915 2.985 8.245 1.00 0.41 C ATOM 2772 CG TYR B 80 -0.412 4.388 7.945 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -0.773 5.043 6.755 1.00 1.63 C ATOM 2774 CD2 TYR B 80 0.391 5.050 8.883 1.00 1.88 C ATOM 2775 CE1 TYR B 80 -0.319 6.345 6.507 1.00 2.58 C ATOM 2776 CE2 TYR B 80 0.839 6.354 8.626 1.00 2.80 C ATOM 2777 CZ TYR B 80 0.487 6.996 7.440 1.00 3.04 C ATOM 2778 OH TYR B 80 0.931 8.279 7.191 1.00 4.08 O ATOM 0 H TYR B 80 1.842 2.277 7.318 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.829 0.983 7.491 1.00 0.29 H new ATOM 0 HB2 TYR B 80 -1.997 2.957 8.116 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.712 2.747 9.289 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -1.400 4.543 6.032 1.00 1.63 H new ATOM 0 HD2 TYR B 80 0.665 4.556 9.804 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -0.594 6.846 5.591 1.00 2.58 H new ATOM 0 HE2 TYR B 80 1.459 6.862 9.350 1.00 2.80 H new ATOM 0 HH TYR B 80 1.480 8.587 7.942 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.470 1.942 5.257 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.666 2.238 3.816 1.00 0.32 C ATOM 2790 C ILE B 81 -2.939 3.043 3.607 1.00 0.31 C ATOM 2791 O ILE B 81 -4.008 2.703 4.089 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.796 0.927 3.032 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.856 1.225 1.527 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.089 0.217 3.443 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.017 -0.084 0.753 1.00 0.69 C ATOM 0 H ILE B 81 -2.254 1.468 5.705 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.807 2.809 3.466 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.934 0.295 3.248 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.690 1.892 1.311 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.947 1.737 1.211 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.184 -0.716 2.887 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.062 0.002 4.511 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.942 0.859 3.224 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.060 0.128 -0.315 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.168 -0.736 0.960 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -2.938 -0.578 1.062 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.819 4.102 2.869 1.00 0.30 N ATOM 2808 CA LEU B 82 -3.986 4.955 2.560 1.00 0.29 C ATOM 2809 C LEU B 82 -4.375 4.642 1.119 1.00 0.27 C ATOM 2810 O LEU B 82 -3.568 4.799 0.224 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.566 6.418 2.679 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.667 6.600 3.902 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -2.293 8.078 4.052 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -3.418 6.139 5.154 1.00 0.37 C ATOM 0 H LEU B 82 -1.940 4.418 2.458 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.820 4.774 3.238 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -3.037 6.729 1.778 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.448 7.053 2.766 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.760 6.008 3.776 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.652 8.204 4.925 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.762 8.411 3.160 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -3.199 8.671 4.178 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.780 6.267 6.029 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -4.323 6.734 5.275 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.686 5.087 5.051 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.570 4.156 0.876 1.00 0.23 N ATOM 2827 CA LEU B 83 -5.950 3.788 -0.519 1.00 0.23 C ATOM 2828 C LEU B 83 -7.270 4.445 -0.913 1.00 0.22 C ATOM 2829 O LEU B 83 -8.292 4.260 -0.281 1.00 0.21 O ATOM 2830 CB LEU B 83 -6.084 2.267 -0.592 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.531 1.835 -1.989 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.727 0.604 -2.424 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -8.017 1.478 -1.957 1.00 0.98 C ATOM 0 H LEU B 83 -6.291 4.000 1.580 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.183 4.137 -1.210 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.130 1.800 -0.348 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -6.805 1.924 0.149 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.363 2.650 -2.693 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -6.045 0.295 -3.420 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.665 0.851 -2.442 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -5.898 -0.210 -1.720 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.339 1.170 -2.952 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -8.180 0.661 -1.254 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.594 2.348 -1.643 1.00 0.98 H new ATOM 2845 N ARG B 84 -7.235 5.222 -1.961 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.464 5.915 -2.421 1.00 0.24 C ATOM 2847 C ARG B 84 -9.133 5.117 -3.542 1.00 0.30 C ATOM 2848 O ARG B 84 -8.577 4.179 -4.076 1.00 0.71 O ATOM 2849 CB ARG B 84 -8.117 7.335 -2.882 1.00 0.29 C ATOM 2850 CG ARG B 84 -9.305 8.259 -2.582 1.00 0.30 C ATOM 2851 CD ARG B 84 -8.994 9.695 -3.004 1.00 0.34 C ATOM 2852 NE ARG B 84 -10.100 10.589 -2.558 1.00 0.41 N ATOM 2853 CZ ARG B 84 -9.891 11.871 -2.422 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -8.712 12.370 -2.672 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -10.862 12.651 -2.035 1.00 0.60 N ATOM 0 H ARG B 84 -6.401 5.405 -2.519 1.00 0.23 H new ATOM 0 HA ARG B 84 -9.170 5.986 -1.594 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -7.224 7.690 -2.368 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.895 7.341 -3.949 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -10.190 7.904 -3.109 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.535 8.230 -1.517 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -8.050 10.019 -2.566 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.879 9.752 -4.086 1.00 0.34 H new ATOM 0 HE ARG B 84 -11.021 10.199 -2.359 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -7.953 11.759 -2.974 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -8.549 13.371 -2.566 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.783 12.260 -1.839 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -10.700 13.652 -1.928 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.336 5.485 -3.885 1.00 0.31 N ATOM 2870 CA LEU B 85 -11.062 4.746 -4.960 1.00 0.28 C ATOM 2871 C LEU B 85 -12.180 5.613 -5.527 1.00 0.27 C ATOM 2872 O LEU B 85 -12.905 6.236 -4.792 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.684 3.490 -4.352 1.00 0.29 C ATOM 2874 CG LEU B 85 -10.977 2.225 -4.835 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -11.614 1.015 -4.144 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -11.131 2.075 -6.348 1.00 0.93 C ATOM 0 H LEU B 85 -10.848 6.263 -3.470 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.364 4.488 -5.756 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -11.630 3.546 -3.265 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.740 3.441 -4.616 1.00 0.29 H new ATOM 0 HG LEU B 85 -9.916 2.290 -4.594 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -11.120 0.103 -4.479 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -11.503 1.113 -3.064 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -12.673 0.967 -4.397 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -10.622 1.169 -6.677 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.189 2.009 -6.601 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -10.692 2.939 -6.846 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.334 5.631 -6.824 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.424 6.437 -7.457 1.00 0.33 C ATOM 2890 C LYS B 86 -14.321 5.511 -8.284 1.00 0.30 C ATOM 2891 O LYS B 86 -13.862 4.548 -8.854 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.808 7.495 -8.369 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.900 8.218 -9.165 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.960 7.687 -10.602 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.875 8.589 -11.431 1.00 0.51 C ATOM 2896 NZ LYS B 86 -14.193 9.889 -11.687 1.00 1.31 N ATOM 0 H LYS B 86 -11.746 5.117 -7.480 1.00 0.31 H new ATOM 0 HA LYS B 86 -14.016 6.925 -6.683 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -12.247 8.215 -7.773 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -12.100 7.027 -9.053 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.865 8.078 -8.679 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.701 9.290 -9.175 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.961 7.664 -11.036 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -14.334 6.663 -10.609 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -15.123 8.104 -12.375 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -15.814 8.757 -10.903 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -14.614 10.343 -12.523 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -14.308 10.510 -10.861 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -13.181 9.722 -11.856 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.594 5.800 -8.357 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.514 4.928 -9.160 1.00 0.27 C ATOM 2912 C ARG B 87 -16.830 5.580 -10.503 1.00 0.28 C ATOM 2913 O ARG B 87 -17.013 6.776 -10.601 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.818 4.691 -8.400 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.528 3.931 -7.100 1.00 0.61 C ATOM 2916 CD ARG B 87 -17.014 2.519 -7.418 1.00 0.42 C ATOM 2917 NE ARG B 87 -17.316 1.611 -6.275 1.00 0.48 N ATOM 2918 CZ ARG B 87 -18.476 1.015 -6.196 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -19.385 1.222 -7.111 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.728 0.212 -5.199 1.00 0.87 N ATOM 0 H ARG B 87 -16.038 6.596 -7.900 1.00 0.28 H new ATOM 0 HA ARG B 87 -16.014 3.975 -9.330 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -18.298 5.644 -8.176 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.512 4.122 -9.018 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.788 4.472 -6.511 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.433 3.870 -6.496 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.485 2.145 -8.327 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -15.940 2.544 -7.602 1.00 0.42 H new ATOM 0 HE ARG B 87 -16.614 1.454 -5.552 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -19.190 1.851 -7.890 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -20.289 0.755 -7.046 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -18.020 0.050 -4.483 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -19.633 -0.254 -5.136 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.909 4.777 -11.533 1.00 0.28 N ATOM 2935 CA VAL B 88 -17.230 5.304 -12.895 1.00 0.32 C ATOM 2936 C VAL B 88 -18.550 4.695 -13.362 1.00 0.34 C ATOM 2937 O VAL B 88 -19.142 5.132 -14.329 1.00 0.39 O ATOM 2938 CB VAL B 88 -16.129 4.914 -13.886 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -16.094 5.929 -15.029 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.769 4.893 -13.186 1.00 0.68 C ATOM 0 H VAL B 88 -16.763 3.768 -11.489 1.00 0.28 H new ATOM 0 HA VAL B 88 -17.304 6.391 -12.850 1.00 0.32 H new ATOM 0 HB VAL B 88 -16.341 3.920 -14.278 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -15.311 5.654 -15.736 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -17.057 5.936 -15.539 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -15.888 6.922 -14.628 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.996 4.614 -13.902 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.552 5.882 -12.784 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.789 4.167 -12.373 1.00 0.68 H new ATOM 2950 N TYR B 89 -19.018 3.693 -12.674 1.00 0.33 N ATOM 2951 CA TYR B 89 -20.305 3.060 -13.069 1.00 0.39 C ATOM 2952 C TYR B 89 -20.756 2.091 -11.975 1.00 0.50 C ATOM 2953 O TYR B 89 -20.056 1.981 -10.983 1.00 1.12 O ATOM 2954 CB TYR B 89 -20.121 2.300 -14.384 1.00 0.41 C ATOM 2955 CG TYR B 89 -21.076 2.848 -15.418 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -22.445 2.569 -15.324 1.00 1.13 C ATOM 2957 CD2 TYR B 89 -20.592 3.636 -16.470 1.00 1.47 C ATOM 2958 CE1 TYR B 89 -23.329 3.078 -16.281 1.00 1.27 C ATOM 2959 CE2 TYR B 89 -21.478 4.145 -17.428 1.00 1.77 C ATOM 2960 CZ TYR B 89 -22.846 3.866 -17.334 1.00 1.26 C ATOM 2961 OH TYR B 89 -23.719 4.368 -18.278 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.794 1.474 -12.149 1.00 1.01 O ATOM 0 H TYR B 89 -18.565 3.285 -11.856 1.00 0.33 H new ATOM 0 HA TYR B 89 -21.062 3.833 -13.202 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -19.093 2.399 -14.733 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -20.304 1.237 -14.231 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -22.818 1.961 -14.513 1.00 1.13 H new ATOM 0 HD2 TYR B 89 -19.536 3.851 -16.542 1.00 1.47 H new ATOM 0 HE1 TYR B 89 -24.385 2.863 -16.208 1.00 1.27 H new ATOM 0 HE2 TYR B 89 -21.105 4.753 -18.239 1.00 1.77 H new ATOM 0 HH TYR B 89 -23.220 4.894 -18.938 1.00 1.66 H new TER 2972 TYR B 89