USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1051 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 10 SER OG : rot -75:sc= -0.837! USER MOD Set 1.2: A 106 LYS NZ :NH3+ -168:sc= 0.996 (180deg=-0.238) USER MOD Set 2.1: A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.43) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 73 ASN :FLIP amide:sc= -0.0589 F(o=-1.7!,f=-0.059) USER MOD Set 4.1: A 38 GLN : amide:sc= -0.0316 K(o=0.12,f=-0.69) USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0.148 USER MOD Single : A 1 TYR N :NH3+ 178:sc= -2.38 (180deg=-2.46) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc=-0.00993 (180deg=-0.128) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 28:sc= -0.0979 USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 14 HIS : no HD1:sc= -2.77 K(o=-2.8,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 80:sc= 0.0577 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.0117 X(o=0.012,f=-0.1) USER MOD Single : A 36 GLN :FLIP amide:sc= -3.68! C(o=-7.6!,f=-3.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -54:sc= 0.211 USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= -1.74! (180deg=-3.56!) USER MOD Single : A 51 SER OG : rot 32:sc= -0.896 USER MOD Single : A 52 THR OG1 : rot 80:sc= -1.18 USER MOD Single : A 54 THR OG1 : rot 160:sc= -1.05 USER MOD Single : A 56 GLN : amide:sc= -9.22! C(o=-9.2!,f=-21!) USER MOD Single : A 60 MET CE :methyl -117:sc= -9.2! (180deg=-11.4!) USER MOD Single : A 62 THR OG1 : rot -58:sc= 0.856 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -117:sc= -0.444 USER MOD Single : A 70 GLN : amide:sc= -0.0806 K(o=-0.081,f=-0.86) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 171:sc= 0.833 USER MOD Single : A 85 ASN : amide:sc= -0.351 K(o=-0.35,f=-1.1) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -3.91! C(o=-7.8!,f=-3.9!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 138:sc= -0.224 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -1.9 (180deg=-2.1) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= 0.204 (180deg=-0.505!) USER MOD Single : A 95 HIS : no HD1:sc= -2.96! C(o=-3!,f=-5.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.333 F(o=-1.6!,f=-0.33) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 25:sc= -6.63! USER MOD Single : A 111 LYS NZ :NH3+ -157:sc= -1.32 (180deg=-2.23!) USER MOD Single : A 116 THR OG1 : rot 89:sc= 0.782 USER MOD Single : A 117 HIS :FLIP no HD1:sc= 0.103 F(o=-1,f=0.1) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.25) USER MOD Single : A 121 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000338) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.266 -6.097 6.483 1.00 2.41 N ATOM 2 CA TYR A 1 18.066 -5.019 7.097 1.00 2.09 C ATOM 3 C TYR A 1 17.175 -4.176 7.991 1.00 2.03 C ATOM 4 O TYR A 1 17.308 -4.187 9.211 1.00 2.57 O ATOM 5 CB TYR A 1 18.708 -4.127 6.027 1.00 2.90 C ATOM 6 CG TYR A 1 19.643 -4.850 5.084 1.00 3.87 C ATOM 7 CD1 TYR A 1 20.827 -5.415 5.544 1.00 4.74 C ATOM 8 CD2 TYR A 1 19.352 -4.946 3.731 1.00 4.39 C ATOM 9 CE1 TYR A 1 21.693 -6.055 4.678 1.00 5.86 C ATOM 10 CE2 TYR A 1 20.209 -5.588 2.859 1.00 5.57 C ATOM 11 CZ TYR A 1 21.379 -6.140 3.337 1.00 6.21 C ATOM 12 OH TYR A 1 22.240 -6.774 2.469 1.00 7.47 O ATOM 0 H1 TYR A 1 17.868 -6.655 5.844 1.00 2.41 H new ATOM 0 H2 TYR A 1 16.886 -6.715 7.228 1.00 2.41 H new ATOM 0 H3 TYR A 1 16.480 -5.682 5.944 1.00 2.41 H new ATOM 0 HA TYR A 1 18.862 -5.475 7.685 1.00 2.09 H new ATOM 0 HB2 TYR A 1 17.917 -3.656 5.443 1.00 2.90 H new ATOM 0 HB3 TYR A 1 19.259 -3.327 6.522 1.00 2.90 H new ATOM 0 HD1 TYR A 1 21.074 -5.353 6.594 1.00 4.74 H new ATOM 0 HD2 TYR A 1 18.439 -4.511 3.353 1.00 4.39 H new ATOM 0 HE1 TYR A 1 22.611 -6.487 5.049 1.00 5.86 H new ATOM 0 HE2 TYR A 1 19.965 -5.657 1.809 1.00 5.57 H new ATOM 0 HH TYR A 1 21.869 -6.747 1.562 1.00 7.47 H new ATOM 24 N LYS A 2 16.253 -3.462 7.367 1.00 2.03 N ATOM 25 CA LYS A 2 15.302 -2.637 8.089 1.00 2.09 C ATOM 26 C LYS A 2 13.942 -3.318 8.108 1.00 1.28 C ATOM 27 O LYS A 2 13.640 -4.145 7.248 1.00 1.83 O ATOM 28 CB LYS A 2 15.190 -1.255 7.438 1.00 3.32 C ATOM 29 CG LYS A 2 16.389 -0.350 7.687 1.00 4.26 C ATOM 30 CD LYS A 2 16.202 1.007 7.021 1.00 5.27 C ATOM 31 CE LYS A 2 17.221 2.030 7.504 1.00 6.31 C ATOM 32 NZ LYS A 2 18.620 1.639 7.188 1.00 6.96 N ATOM 0 H LYS A 2 16.144 -3.438 6.353 1.00 2.03 H new ATOM 0 HA LYS A 2 15.653 -2.509 9.113 1.00 2.09 H new ATOM 0 HB2 LYS A 2 15.061 -1.381 6.363 1.00 3.32 H new ATOM 0 HB3 LYS A 2 14.293 -0.761 7.811 1.00 3.32 H new ATOM 0 HG2 LYS A 2 16.530 -0.215 8.759 1.00 4.26 H new ATOM 0 HG3 LYS A 2 17.292 -0.825 7.304 1.00 4.26 H new ATOM 0 HD2 LYS A 2 16.287 0.894 5.940 1.00 5.27 H new ATOM 0 HD3 LYS A 2 15.196 1.374 7.225 1.00 5.27 H new ATOM 0 HE2 LYS A 2 17.006 2.995 7.046 1.00 6.31 H new ATOM 0 HE3 LYS A 2 17.118 2.158 8.582 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 19.272 2.369 7.538 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 18.839 0.731 7.646 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 18.729 1.542 6.158 1.00 6.96 H new ATOM 46 N LYS A 3 13.139 -2.974 9.103 1.00 0.93 N ATOM 47 CA LYS A 3 11.813 -3.556 9.266 1.00 0.96 C ATOM 48 C LYS A 3 10.775 -2.982 8.292 1.00 0.78 C ATOM 49 O LYS A 3 9.874 -3.717 7.889 1.00 1.17 O ATOM 50 CB LYS A 3 11.321 -3.382 10.699 1.00 1.91 C ATOM 51 CG LYS A 3 12.181 -4.091 11.733 1.00 2.62 C ATOM 52 CD LYS A 3 11.658 -3.873 13.143 1.00 3.43 C ATOM 53 CE LYS A 3 10.267 -4.458 13.330 1.00 4.25 C ATOM 54 NZ LYS A 3 10.251 -5.936 13.164 1.00 4.81 N ATOM 0 H LYS A 3 13.385 -2.288 9.817 1.00 0.93 H new ATOM 0 HA LYS A 3 11.919 -4.616 9.035 1.00 0.96 H new ATOM 0 HB2 LYS A 3 11.288 -2.318 10.935 1.00 1.91 H new ATOM 0 HB3 LYS A 3 10.300 -3.757 10.771 1.00 1.91 H new ATOM 0 HG2 LYS A 3 12.206 -5.159 11.515 1.00 2.62 H new ATOM 0 HG3 LYS A 3 13.206 -3.727 11.665 1.00 2.62 H new ATOM 0 HD2 LYS A 3 12.342 -4.329 13.858 1.00 3.43 H new ATOM 0 HD3 LYS A 3 11.635 -2.805 13.360 1.00 3.43 H new ATOM 0 HE2 LYS A 3 9.898 -4.202 14.323 1.00 4.25 H new ATOM 0 HE3 LYS A 3 9.585 -4.006 12.610 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 9.334 -6.311 13.480 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 10.396 -6.174 12.162 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 11.012 -6.358 13.734 1.00 4.81 H new ATOM 68 N PRO A 4 10.832 -1.665 7.943 1.00 0.45 N ATOM 69 CA PRO A 4 9.982 -1.079 6.908 1.00 0.41 C ATOM 70 C PRO A 4 9.737 -2.024 5.738 1.00 0.39 C ATOM 71 O PRO A 4 10.671 -2.599 5.172 1.00 0.53 O ATOM 72 CB PRO A 4 10.768 0.154 6.444 1.00 0.59 C ATOM 73 CG PRO A 4 11.914 0.311 7.398 1.00 0.72 C ATOM 74 CD PRO A 4 11.657 -0.619 8.550 1.00 0.80 C ATOM 0 HA PRO A 4 8.989 -0.848 7.294 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.128 0.023 5.423 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.135 1.042 6.448 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.858 0.069 6.910 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.989 1.342 7.744 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.583 -1.021 8.960 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.138 -0.118 9.367 1.00 0.80 H new ATOM 82 N LYS A 5 8.476 -2.183 5.393 1.00 0.38 N ATOM 83 CA LYS A 5 8.081 -3.116 4.363 1.00 0.38 C ATOM 84 C LYS A 5 8.053 -2.448 2.994 1.00 0.35 C ATOM 85 O LYS A 5 8.140 -1.230 2.864 1.00 0.40 O ATOM 86 CB LYS A 5 6.701 -3.715 4.662 1.00 0.44 C ATOM 87 CG LYS A 5 6.600 -4.451 5.994 1.00 1.16 C ATOM 88 CD LYS A 5 5.298 -5.238 6.079 1.00 1.64 C ATOM 89 CE LYS A 5 4.955 -5.650 7.505 1.00 2.57 C ATOM 90 NZ LYS A 5 5.914 -6.632 8.077 1.00 3.33 N ATOM 0 H LYS A 5 7.702 -1.672 5.817 1.00 0.38 H new ATOM 0 HA LYS A 5 8.823 -3.914 4.352 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.962 -2.914 4.648 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.438 -4.405 3.860 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.447 -5.128 6.106 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.652 -3.736 6.815 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.486 -4.635 5.674 1.00 1.64 H new ATOM 0 HD3 LYS A 5 5.375 -6.129 5.456 1.00 1.64 H new ATOM 0 HE2 LYS A 5 4.933 -4.763 8.137 1.00 2.57 H new ATOM 0 HE3 LYS A 5 3.953 -6.078 7.522 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 5.627 -6.873 9.047 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 5.918 -7.493 7.494 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 6.868 -6.218 8.091 1.00 3.33 H new ATOM 104 N LEU A 6 7.936 -3.295 1.997 1.00 0.35 N ATOM 105 CA LEU A 6 7.859 -2.929 0.595 1.00 0.37 C ATOM 106 C LEU A 6 6.404 -2.925 0.137 1.00 0.37 C ATOM 107 O LEU A 6 5.592 -3.686 0.680 1.00 0.46 O ATOM 108 CB LEU A 6 8.648 -3.963 -0.218 1.00 0.51 C ATOM 109 CG LEU A 6 8.217 -4.111 -1.670 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.633 -2.894 -2.459 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.783 -5.382 -2.279 1.00 1.49 C ATOM 0 H LEU A 6 7.890 -4.303 2.144 1.00 0.35 H new ATOM 0 HA LEU A 6 8.276 -1.933 0.448 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.703 -3.691 -0.195 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.558 -4.933 0.272 1.00 0.51 H new ATOM 0 HG LEU A 6 7.130 -4.189 -1.705 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.320 -3.009 -3.497 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.163 -2.007 -2.034 1.00 1.24 H new ATOM 0 HD13 LEU A 6 9.717 -2.786 -2.416 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.460 -5.463 -3.317 1.00 1.49 H new ATOM 0 HD22 LEU A 6 9.872 -5.351 -2.239 1.00 1.49 H new ATOM 0 HD23 LEU A 6 8.424 -6.245 -1.718 1.00 1.49 H new ATOM 123 N LEU A 7 6.092 -2.138 -0.904 1.00 0.36 N ATOM 124 CA LEU A 7 4.737 -2.104 -1.422 1.00 0.39 C ATOM 125 C LEU A 7 4.549 -3.232 -2.367 1.00 0.41 C ATOM 126 O LEU A 7 5.280 -3.415 -3.343 1.00 0.58 O ATOM 127 CB LEU A 7 4.384 -0.839 -2.192 1.00 0.55 C ATOM 128 CG LEU A 7 2.970 -0.845 -2.828 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.951 -0.331 -1.827 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.913 -0.033 -4.119 1.00 1.25 C ATOM 0 H LEU A 7 6.753 -1.531 -1.389 1.00 0.36 H new ATOM 0 HA LEU A 7 4.094 -2.157 -0.543 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.462 0.014 -1.518 1.00 0.55 H new ATOM 0 HB3 LEU A 7 5.122 -0.691 -2.980 1.00 0.55 H new ATOM 0 HG LEU A 7 2.730 -1.875 -3.092 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.960 -0.338 -2.281 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.951 -0.972 -0.946 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.209 0.687 -1.535 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.903 -0.068 -4.526 1.00 1.25 H new ATOM 0 HD22 LEU A 7 3.185 1.002 -3.910 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.611 -0.452 -4.844 1.00 1.25 H new ATOM 142 N TYR A 8 3.467 -3.866 -2.070 1.00 0.50 N ATOM 143 CA TYR A 8 3.117 -5.183 -2.482 1.00 0.71 C ATOM 144 C TYR A 8 2.494 -5.284 -3.862 1.00 0.44 C ATOM 145 O TYR A 8 1.308 -5.071 -4.051 1.00 0.73 O ATOM 146 CB TYR A 8 2.120 -5.675 -1.435 1.00 1.29 C ATOM 147 CG TYR A 8 1.360 -4.573 -0.715 1.00 1.60 C ATOM 148 CD1 TYR A 8 0.413 -3.808 -1.372 1.00 1.84 C ATOM 149 CD2 TYR A 8 1.593 -4.311 0.624 1.00 2.21 C ATOM 150 CE1 TYR A 8 -0.283 -2.809 -0.720 1.00 2.43 C ATOM 151 CE2 TYR A 8 0.903 -3.314 1.289 1.00 2.93 C ATOM 152 CZ TYR A 8 -0.035 -2.565 0.610 1.00 2.96 C ATOM 153 OH TYR A 8 -0.727 -1.569 1.263 1.00 3.74 O ATOM 0 H TYR A 8 2.746 -3.443 -1.486 1.00 0.50 H new ATOM 0 HA TYR A 8 4.026 -5.780 -2.555 1.00 0.71 H new ATOM 0 HB2 TYR A 8 1.402 -6.336 -1.919 1.00 1.29 H new ATOM 0 HB3 TYR A 8 2.655 -6.272 -0.696 1.00 1.29 H new ATOM 0 HD1 TYR A 8 0.214 -3.996 -2.417 1.00 1.84 H new ATOM 0 HD2 TYR A 8 2.327 -4.896 1.159 1.00 2.21 H new ATOM 0 HE1 TYR A 8 -1.018 -2.223 -1.252 1.00 2.43 H new ATOM 0 HE2 TYR A 8 1.098 -3.123 2.334 1.00 2.93 H new ATOM 0 HH TYR A 8 -0.435 -1.526 2.197 1.00 3.74 H new ATOM 163 N CYS A 9 3.301 -5.760 -4.779 1.00 0.63 N ATOM 164 CA CYS A 9 2.934 -5.872 -6.173 1.00 0.75 C ATOM 165 C CYS A 9 2.149 -7.147 -6.462 1.00 1.05 C ATOM 166 O CYS A 9 2.437 -8.208 -5.908 1.00 1.99 O ATOM 167 CB CYS A 9 4.191 -5.857 -7.038 1.00 1.57 C ATOM 168 SG CYS A 9 5.351 -7.195 -6.681 1.00 2.64 S ATOM 0 H CYS A 9 4.246 -6.086 -4.576 1.00 0.63 H new ATOM 0 HA CYS A 9 2.295 -5.021 -6.409 1.00 0.75 H new ATOM 0 HB2 CYS A 9 3.898 -5.915 -8.086 1.00 1.57 H new ATOM 0 HB3 CYS A 9 4.701 -4.903 -6.902 1.00 1.57 H new ATOM 0 HG CYS A 9 4.700 -8.223 -6.223 1.00 2.64 H new ATOM 174 N SER A 10 1.160 -7.025 -7.337 1.00 0.83 N ATOM 175 CA SER A 10 0.557 -8.194 -7.954 1.00 1.29 C ATOM 176 C SER A 10 1.521 -8.588 -9.051 1.00 0.84 C ATOM 177 O SER A 10 2.186 -7.707 -9.609 1.00 1.34 O ATOM 178 CB SER A 10 -0.807 -7.830 -8.532 1.00 2.36 C ATOM 179 OG SER A 10 -1.168 -6.517 -8.128 1.00 3.16 O ATOM 0 H SER A 10 0.762 -6.134 -7.633 1.00 0.83 H new ATOM 0 HA SER A 10 0.393 -9.008 -7.248 1.00 1.29 H new ATOM 0 HB2 SER A 10 -0.779 -7.890 -9.620 1.00 2.36 H new ATOM 0 HB3 SER A 10 -1.558 -8.544 -8.193 1.00 2.36 H new ATOM 0 HG SER A 10 -1.450 -6.529 -7.190 1.00 3.16 H new ATOM 185 N ASN A 11 1.620 -9.862 -9.391 1.00 1.45 N ATOM 186 CA ASN A 11 2.913 -10.341 -9.849 1.00 1.79 C ATOM 187 C ASN A 11 3.223 -9.911 -11.270 1.00 1.40 C ATOM 188 O ASN A 11 2.694 -10.422 -12.256 1.00 1.83 O ATOM 189 CB ASN A 11 3.001 -11.863 -9.726 1.00 2.89 C ATOM 190 CG ASN A 11 4.401 -12.381 -10.010 1.00 3.45 C ATOM 191 OD1 ASN A 11 5.388 -11.668 -9.830 1.00 3.71 O ATOM 192 ND2 ASN A 11 4.498 -13.631 -10.429 1.00 4.02 N ATOM 0 H ASN A 11 0.868 -10.550 -9.363 1.00 1.45 H new ATOM 0 HA ASN A 11 3.663 -9.885 -9.203 1.00 1.79 H new ATOM 0 HB2 ASN A 11 2.701 -12.163 -8.722 1.00 2.89 H new ATOM 0 HB3 ASN A 11 2.297 -12.323 -10.420 1.00 2.89 H new ATOM 0 HD21 ASN A 11 5.415 -14.037 -10.615 1.00 4.02 H new ATOM 0 HD22 ASN A 11 3.656 -14.190 -10.566 1.00 4.02 H new ATOM 199 N GLY A 12 4.094 -8.922 -11.300 1.00 1.41 N ATOM 200 CA GLY A 12 4.819 -8.486 -12.467 1.00 1.36 C ATOM 201 C GLY A 12 6.131 -7.934 -11.973 1.00 1.49 C ATOM 202 O GLY A 12 7.213 -8.303 -12.421 1.00 2.34 O ATOM 0 H GLY A 12 4.323 -8.377 -10.469 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.981 -9.315 -13.155 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.258 -7.726 -13.011 1.00 1.36 H new ATOM 206 N GLY A 13 5.976 -7.036 -11.001 1.00 0.97 N ATOM 207 CA GLY A 13 7.067 -6.569 -10.173 1.00 1.26 C ATOM 208 C GLY A 13 7.306 -5.080 -10.291 1.00 0.84 C ATOM 209 O GLY A 13 8.211 -4.640 -10.995 1.00 0.89 O ATOM 0 H GLY A 13 5.077 -6.613 -10.771 1.00 0.97 H new ATOM 0 HA2 GLY A 13 6.857 -6.816 -9.132 1.00 1.26 H new ATOM 0 HA3 GLY A 13 7.978 -7.100 -10.449 1.00 1.26 H new ATOM 213 N HIS A 14 6.484 -4.307 -9.591 1.00 0.78 N ATOM 214 CA HIS A 14 6.734 -2.922 -9.327 1.00 0.61 C ATOM 215 C HIS A 14 6.529 -2.709 -7.843 1.00 0.61 C ATOM 216 O HIS A 14 5.786 -3.446 -7.211 1.00 0.92 O ATOM 217 CB HIS A 14 5.838 -2.017 -10.172 1.00 0.85 C ATOM 218 CG HIS A 14 6.482 -1.563 -11.452 1.00 0.75 C ATOM 219 ND1 HIS A 14 5.971 -0.558 -12.244 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.607 -1.985 -12.071 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.750 -0.389 -13.295 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.753 -1.245 -13.214 1.00 0.95 N ATOM 0 H HIS A 14 5.610 -4.647 -9.189 1.00 0.78 H new ATOM 0 HA HIS A 14 7.754 -2.655 -9.604 1.00 0.61 H new ATOM 0 HB2 HIS A 14 4.916 -2.549 -10.407 1.00 0.85 H new ATOM 0 HB3 HIS A 14 5.560 -1.142 -9.584 1.00 0.85 H new ATOM 0 HD2 HIS A 14 8.270 -2.764 -11.727 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.594 0.328 -14.088 1.00 1.17 H new ATOM 0 HE2 HIS A 14 8.510 -1.339 -13.891 1.00 0.95 H new ATOM 231 N PHE A 15 7.141 -1.698 -7.308 1.00 0.49 N ATOM 232 CA PHE A 15 7.278 -1.534 -5.879 1.00 0.45 C ATOM 233 C PHE A 15 7.101 -0.061 -5.574 1.00 0.39 C ATOM 234 O PHE A 15 7.590 0.771 -6.329 1.00 0.41 O ATOM 235 CB PHE A 15 8.677 -1.983 -5.444 1.00 0.51 C ATOM 236 CG PHE A 15 9.030 -3.401 -5.817 1.00 0.83 C ATOM 237 CD1 PHE A 15 8.148 -4.436 -5.558 1.00 1.13 C ATOM 238 CD2 PHE A 15 10.236 -3.697 -6.434 1.00 1.15 C ATOM 239 CE1 PHE A 15 8.460 -5.737 -5.903 1.00 1.61 C ATOM 240 CE2 PHE A 15 10.552 -4.997 -6.782 1.00 1.62 C ATOM 241 CZ PHE A 15 9.697 -6.015 -6.495 1.00 1.82 C ATOM 0 H PHE A 15 7.568 -0.949 -7.852 1.00 0.49 H new ATOM 0 HA PHE A 15 6.538 -2.132 -5.347 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.413 -1.312 -5.887 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.758 -1.876 -4.362 1.00 0.51 H new ATOM 0 HD1 PHE A 15 7.203 -4.224 -5.080 1.00 1.13 H new ATOM 0 HD2 PHE A 15 10.937 -2.903 -6.645 1.00 1.15 H new ATOM 0 HE1 PHE A 15 7.754 -6.533 -5.717 1.00 1.61 H new ATOM 0 HE2 PHE A 15 11.484 -5.206 -7.285 1.00 1.62 H new ATOM 0 HZ PHE A 15 9.972 -7.034 -6.723 1.00 1.82 H new ATOM 251 N LEU A 16 6.471 0.284 -4.474 1.00 0.43 N ATOM 252 CA LEU A 16 6.186 1.690 -4.235 1.00 0.50 C ATOM 253 C LEU A 16 7.409 2.428 -3.799 1.00 0.48 C ATOM 254 O LEU A 16 8.114 2.087 -2.850 1.00 0.64 O ATOM 255 CB LEU A 16 5.124 1.907 -3.156 1.00 0.75 C ATOM 256 CG LEU A 16 5.377 3.073 -2.184 1.00 1.35 C ATOM 257 CD1 LEU A 16 5.098 4.416 -2.836 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.547 2.903 -0.921 1.00 1.59 C ATOM 0 H LEU A 16 6.153 -0.360 -3.750 1.00 0.43 H new ATOM 0 HA LEU A 16 5.819 2.069 -5.189 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.165 2.071 -3.647 1.00 0.75 H new ATOM 0 HB3 LEU A 16 5.032 0.989 -2.575 1.00 0.75 H new ATOM 0 HG LEU A 16 6.432 3.055 -1.912 1.00 1.35 H new ATOM 0 HD11 LEU A 16 5.288 5.215 -2.119 1.00 2.23 H new ATOM 0 HD12 LEU A 16 5.749 4.543 -3.701 1.00 2.23 H new ATOM 0 HD13 LEU A 16 4.057 4.456 -3.156 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.738 3.736 -0.245 1.00 1.59 H new ATOM 0 HD22 LEU A 16 3.489 2.882 -1.181 1.00 1.59 H new ATOM 0 HD23 LEU A 16 4.818 1.968 -0.430 1.00 1.59 H new ATOM 270 N ARG A 17 7.622 3.437 -4.589 1.00 0.40 N ATOM 271 CA ARG A 17 8.623 4.437 -4.380 1.00 0.42 C ATOM 272 C ARG A 17 7.909 5.764 -4.270 1.00 0.35 C ATOM 273 O ARG A 17 6.903 5.974 -4.955 1.00 0.37 O ATOM 274 CB ARG A 17 9.553 4.449 -5.581 1.00 0.59 C ATOM 275 CG ARG A 17 10.563 3.320 -5.620 1.00 1.00 C ATOM 276 CD ARG A 17 11.140 3.156 -7.019 1.00 1.17 C ATOM 277 NE ARG A 17 11.774 4.380 -7.520 1.00 1.46 N ATOM 278 CZ ARG A 17 11.185 5.243 -8.360 1.00 1.93 C ATOM 279 NH1 ARG A 17 9.906 5.094 -8.689 1.00 2.43 N ATOM 280 NH2 ARG A 17 11.865 6.268 -8.853 1.00 2.61 N ATOM 0 H ARG A 17 7.076 3.592 -5.437 1.00 0.40 H new ATOM 0 HA ARG A 17 9.206 4.242 -3.480 1.00 0.42 H new ATOM 0 HB2 ARG A 17 8.951 4.409 -6.489 1.00 0.59 H new ATOM 0 HB3 ARG A 17 10.090 5.397 -5.596 1.00 0.59 H new ATOM 0 HG2 ARG A 17 11.367 3.521 -4.912 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.088 2.390 -5.307 1.00 1.00 H new ATOM 0 HD2 ARG A 17 11.873 2.349 -7.012 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.345 2.858 -7.702 1.00 1.17 H new ATOM 0 HE ARG A 17 12.723 4.588 -7.210 1.00 1.46 H new ATOM 0 HH11 ARG A 17 9.367 4.320 -8.302 1.00 2.43 H new ATOM 0 HH12 ARG A 17 9.464 5.754 -9.329 1.00 2.43 H new ATOM 0 HH21 ARG A 17 12.842 6.404 -8.594 1.00 2.61 H new ATOM 0 HH22 ARG A 17 11.411 6.921 -9.492 1.00 2.61 H new ATOM 294 N ILE A 18 8.366 6.647 -3.407 1.00 0.33 N ATOM 295 CA ILE A 18 7.741 7.938 -3.334 1.00 0.31 C ATOM 296 C ILE A 18 8.503 8.966 -4.146 1.00 0.32 C ATOM 297 O ILE A 18 9.740 9.018 -4.134 1.00 0.36 O ATOM 298 CB ILE A 18 7.597 8.462 -1.893 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.964 8.768 -1.287 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.833 7.462 -1.036 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.910 9.739 -0.126 1.00 0.91 C ATOM 0 H ILE A 18 9.145 6.496 -2.766 1.00 0.33 H new ATOM 0 HA ILE A 18 6.742 7.796 -3.747 1.00 0.31 H new ATOM 0 HB ILE A 18 7.028 9.391 -1.921 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.419 7.837 -0.950 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.612 9.177 -2.062 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.741 7.848 -0.021 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.840 7.306 -1.457 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.371 6.514 -1.016 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.918 9.909 0.253 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.485 10.685 -0.462 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.289 9.323 0.667 1.00 0.91 H new ATOM 313 N LEU A 19 7.746 9.731 -4.894 1.00 0.36 N ATOM 314 CA LEU A 19 8.225 10.963 -5.469 1.00 0.42 C ATOM 315 C LEU A 19 7.595 12.090 -4.675 1.00 0.41 C ATOM 316 O LEU A 19 6.437 11.977 -4.271 1.00 0.43 O ATOM 317 CB LEU A 19 7.829 11.066 -6.946 1.00 0.54 C ATOM 318 CG LEU A 19 8.386 9.965 -7.850 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.872 10.139 -9.271 1.00 1.56 C ATOM 320 CD2 LEU A 19 9.908 9.973 -7.830 1.00 1.84 C ATOM 0 H LEU A 19 6.776 9.515 -5.122 1.00 0.36 H new ATOM 0 HA LEU A 19 9.313 11.011 -5.425 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.741 11.055 -7.015 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.163 12.031 -7.328 1.00 0.54 H new ATOM 0 HG LEU A 19 8.044 9.002 -7.471 1.00 0.96 H new ATOM 0 HD11 LEU A 19 8.276 9.349 -9.903 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.783 10.084 -9.273 1.00 1.56 H new ATOM 0 HD13 LEU A 19 8.187 11.109 -9.656 1.00 1.56 H new ATOM 0 HD21 LEU A 19 10.285 9.183 -8.479 1.00 1.84 H new ATOM 0 HD22 LEU A 19 10.271 10.938 -8.184 1.00 1.84 H new ATOM 0 HD23 LEU A 19 10.259 9.805 -6.812 1.00 1.84 H new ATOM 332 N PRO A 20 8.313 13.198 -4.452 1.00 0.54 N ATOM 333 CA PRO A 20 7.830 14.290 -3.601 1.00 0.67 C ATOM 334 C PRO A 20 6.738 15.095 -4.290 1.00 0.68 C ATOM 335 O PRO A 20 6.238 16.087 -3.760 1.00 0.84 O ATOM 336 CB PRO A 20 9.071 15.165 -3.387 1.00 0.89 C ATOM 337 CG PRO A 20 10.225 14.365 -3.900 1.00 0.96 C ATOM 338 CD PRO A 20 9.664 13.459 -4.954 1.00 0.70 C ATOM 0 HA PRO A 20 7.393 13.921 -2.673 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.981 16.110 -3.923 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.201 15.408 -2.332 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.996 15.014 -4.314 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.689 13.790 -3.098 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.649 13.935 -5.934 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.245 12.542 -5.054 1.00 0.70 H new ATOM 346 N ASP A 21 6.373 14.635 -5.475 1.00 0.62 N ATOM 347 CA ASP A 21 5.242 15.175 -6.206 1.00 0.78 C ATOM 348 C ASP A 21 3.945 14.684 -5.574 1.00 0.75 C ATOM 349 O ASP A 21 2.872 15.246 -5.800 1.00 0.99 O ATOM 350 CB ASP A 21 5.309 14.746 -7.675 1.00 0.94 C ATOM 351 CG ASP A 21 6.508 15.326 -8.403 1.00 1.51 C ATOM 352 OD1 ASP A 21 7.658 14.944 -8.080 1.00 2.30 O ATOM 353 OD2 ASP A 21 6.311 16.157 -9.311 1.00 1.71 O ATOM 0 H ASP A 21 6.854 13.876 -5.957 1.00 0.62 H new ATOM 0 HA ASP A 21 5.273 16.264 -6.161 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.348 13.658 -7.730 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.396 15.058 -8.182 1.00 0.94 H new ATOM 358 N GLY A 22 4.057 13.625 -4.777 1.00 0.59 N ATOM 359 CA GLY A 22 2.912 13.106 -4.059 1.00 0.72 C ATOM 360 C GLY A 22 2.394 11.809 -4.637 1.00 0.61 C ATOM 361 O GLY A 22 1.187 11.638 -4.793 1.00 0.81 O ATOM 0 H GLY A 22 4.927 13.116 -4.617 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.184 12.950 -3.015 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.114 13.848 -4.072 1.00 0.72 H new ATOM 365 N THR A 23 3.292 10.885 -4.948 1.00 0.43 N ATOM 366 CA THR A 23 2.904 9.648 -5.569 1.00 0.39 C ATOM 367 C THR A 23 3.241 8.433 -4.716 1.00 0.40 C ATOM 368 O THR A 23 4.320 8.342 -4.128 1.00 0.46 O ATOM 369 CB THR A 23 3.650 9.479 -6.877 1.00 0.44 C ATOM 370 OG1 THR A 23 3.965 10.766 -7.431 1.00 0.49 O ATOM 371 CG2 THR A 23 2.828 8.687 -7.867 1.00 0.59 C ATOM 0 H THR A 23 4.293 10.978 -4.776 1.00 0.43 H new ATOM 0 HA THR A 23 1.825 9.702 -5.711 1.00 0.39 H new ATOM 0 HB THR A 23 4.572 8.933 -6.676 1.00 0.44 H new ATOM 0 HG1 THR A 23 4.449 10.649 -8.275 1.00 0.49 H new ATOM 0 HG21 THR A 23 3.385 8.579 -8.798 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.614 7.701 -7.456 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.892 9.209 -8.063 1.00 0.59 H new ATOM 379 N VAL A 24 2.290 7.527 -4.635 1.00 0.47 N ATOM 380 CA VAL A 24 2.567 6.153 -4.235 1.00 0.56 C ATOM 381 C VAL A 24 2.612 5.298 -5.501 1.00 0.42 C ATOM 382 O VAL A 24 1.560 4.931 -6.028 1.00 0.50 O ATOM 383 CB VAL A 24 1.418 5.613 -3.350 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.894 4.536 -2.395 1.00 0.97 C ATOM 385 CG2 VAL A 24 0.727 6.736 -2.607 1.00 1.61 C ATOM 0 H VAL A 24 1.309 7.714 -4.842 1.00 0.47 H new ATOM 0 HA VAL A 24 3.506 6.117 -3.683 1.00 0.56 H new ATOM 0 HB VAL A 24 0.690 5.151 -4.017 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.055 4.186 -1.794 1.00 0.97 H new ATOM 0 HG12 VAL A 24 2.306 3.702 -2.963 1.00 0.97 H new ATOM 0 HG13 VAL A 24 2.664 4.945 -1.740 1.00 0.97 H new ATOM 0 HG21 VAL A 24 -0.076 6.327 -1.994 1.00 1.61 H new ATOM 0 HG22 VAL A 24 1.447 7.247 -1.968 1.00 1.61 H new ATOM 0 HG23 VAL A 24 0.311 7.444 -3.323 1.00 1.61 H new ATOM 395 N ASP A 25 3.803 4.979 -6.004 1.00 0.37 N ATOM 396 CA ASP A 25 3.874 4.242 -7.275 1.00 0.37 C ATOM 397 C ASP A 25 4.820 3.077 -7.270 1.00 0.39 C ATOM 398 O ASP A 25 5.831 3.095 -6.586 1.00 0.43 O ATOM 399 CB ASP A 25 4.205 5.184 -8.439 1.00 0.48 C ATOM 400 CG ASP A 25 5.683 5.524 -8.543 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.113 6.522 -7.934 1.00 1.16 O ATOM 402 OD2 ASP A 25 6.418 4.806 -9.267 1.00 1.10 O ATOM 0 H ASP A 25 4.701 5.205 -5.576 1.00 0.37 H new ATOM 0 HA ASP A 25 2.879 3.819 -7.410 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.880 4.724 -9.372 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.636 6.106 -8.323 1.00 0.48 H new ATOM 407 N GLY A 26 4.502 2.064 -8.080 1.00 0.38 N ATOM 408 CA GLY A 26 5.429 0.973 -8.229 1.00 0.40 C ATOM 409 C GLY A 26 6.430 1.192 -9.347 1.00 0.42 C ATOM 410 O GLY A 26 6.096 1.590 -10.460 1.00 0.52 O ATOM 0 H GLY A 26 3.639 1.988 -8.619 1.00 0.38 H new ATOM 0 HA2 GLY A 26 5.966 0.830 -7.291 1.00 0.40 H new ATOM 0 HA3 GLY A 26 4.873 0.055 -8.422 1.00 0.40 H new ATOM 414 N THR A 27 7.656 0.906 -9.003 1.00 0.42 N ATOM 415 CA THR A 27 8.784 0.793 -9.890 1.00 0.50 C ATOM 416 C THR A 27 9.648 -0.270 -9.271 1.00 0.54 C ATOM 417 O THR A 27 9.694 -0.322 -8.043 1.00 0.56 O ATOM 418 CB THR A 27 9.538 2.131 -9.983 1.00 0.57 C ATOM 419 OG1 THR A 27 8.739 3.098 -10.676 1.00 0.67 O ATOM 420 CG2 THR A 27 10.876 1.961 -10.670 1.00 0.70 C ATOM 0 H THR A 27 7.911 0.734 -8.031 1.00 0.42 H new ATOM 0 HA THR A 27 8.488 0.539 -10.908 1.00 0.50 H new ATOM 0 HB THR A 27 9.727 2.486 -8.970 1.00 0.57 H new ATOM 0 HG1 THR A 27 8.073 3.473 -10.062 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.384 2.924 -10.720 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.488 1.257 -10.106 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.721 1.580 -11.679 1.00 0.70 H new ATOM 428 N ARG A 28 10.329 -1.138 -10.001 1.00 0.64 N ATOM 429 CA ARG A 28 11.077 -2.088 -9.231 1.00 0.71 C ATOM 430 C ARG A 28 12.434 -1.496 -8.939 1.00 0.65 C ATOM 431 O ARG A 28 13.292 -1.337 -9.809 1.00 0.72 O ATOM 432 CB ARG A 28 11.187 -3.452 -9.930 1.00 0.91 C ATOM 433 CG ARG A 28 11.811 -3.418 -11.316 1.00 1.56 C ATOM 434 CD ARG A 28 11.995 -4.822 -11.864 1.00 1.84 C ATOM 435 NE ARG A 28 12.597 -4.822 -13.193 1.00 2.32 N ATOM 436 CZ ARG A 28 13.127 -5.899 -13.772 1.00 2.92 C ATOM 437 NH1 ARG A 28 13.200 -7.049 -13.113 1.00 3.18 N ATOM 438 NH2 ARG A 28 13.613 -5.817 -15.003 1.00 3.76 N ATOM 0 H ARG A 28 10.377 -1.201 -11.018 1.00 0.64 H new ATOM 0 HA ARG A 28 10.551 -2.284 -8.296 1.00 0.71 H new ATOM 0 HB2 ARG A 28 11.775 -4.119 -9.300 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.189 -3.884 -10.008 1.00 0.91 H new ATOM 0 HG2 ARG A 28 11.178 -2.841 -11.990 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.775 -2.911 -11.272 1.00 1.56 H new ATOM 0 HD2 ARG A 28 12.623 -5.396 -11.183 1.00 1.84 H new ATOM 0 HD3 ARG A 28 11.028 -5.323 -11.905 1.00 1.84 H new ATOM 0 HE ARG A 28 12.613 -3.943 -13.711 1.00 2.32 H new ATOM 0 HH11 ARG A 28 12.849 -7.112 -12.157 1.00 3.18 H new ATOM 0 HH12 ARG A 28 13.607 -7.869 -13.562 1.00 3.18 H new ATOM 0 HH21 ARG A 28 13.581 -4.930 -15.506 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.019 -6.641 -15.447 1.00 3.76 H new ATOM 452 N ASP A 29 12.577 -1.138 -7.688 1.00 0.68 N ATOM 453 CA ASP A 29 13.836 -0.712 -7.125 1.00 0.69 C ATOM 454 C ASP A 29 13.925 -1.116 -5.667 1.00 0.81 C ATOM 455 O ASP A 29 13.118 -0.681 -4.863 1.00 1.48 O ATOM 456 CB ASP A 29 13.994 0.805 -7.252 1.00 1.04 C ATOM 457 CG ASP A 29 15.127 1.340 -6.399 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.228 0.753 -6.428 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.916 2.341 -5.682 1.00 2.20 O ATOM 0 H ASP A 29 11.808 -1.134 -7.018 1.00 0.68 H new ATOM 0 HA ASP A 29 14.640 -1.198 -7.678 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.175 1.063 -8.295 1.00 1.04 H new ATOM 0 HB3 ASP A 29 13.063 1.290 -6.961 1.00 1.04 H new ATOM 464 N ARG A 30 14.879 -1.939 -5.314 1.00 0.62 N ATOM 465 CA ARG A 30 15.201 -2.113 -3.912 1.00 0.91 C ATOM 466 C ARG A 30 16.688 -1.850 -3.729 1.00 1.03 C ATOM 467 O ARG A 30 17.307 -2.246 -2.739 1.00 1.18 O ATOM 468 CB ARG A 30 14.787 -3.496 -3.387 1.00 1.63 C ATOM 469 CG ARG A 30 15.800 -4.613 -3.630 1.00 2.20 C ATOM 470 CD ARG A 30 15.826 -5.065 -5.080 1.00 2.58 C ATOM 471 NE ARG A 30 14.637 -5.839 -5.439 1.00 3.27 N ATOM 472 CZ ARG A 30 14.587 -6.702 -6.454 1.00 3.80 C ATOM 473 NH1 ARG A 30 15.672 -6.947 -7.180 1.00 3.96 N ATOM 474 NH2 ARG A 30 13.457 -7.351 -6.719 1.00 4.57 N ATOM 0 H ARG A 30 15.440 -2.492 -5.961 1.00 0.62 H new ATOM 0 HA ARG A 30 14.630 -1.399 -3.318 1.00 0.91 H new ATOM 0 HB2 ARG A 30 14.604 -3.420 -2.315 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.842 -3.776 -3.853 1.00 1.63 H new ATOM 0 HG2 ARG A 30 16.793 -4.268 -3.342 1.00 2.20 H new ATOM 0 HG3 ARG A 30 15.560 -5.463 -2.991 1.00 2.20 H new ATOM 0 HD2 ARG A 30 15.899 -4.193 -5.729 1.00 2.58 H new ATOM 0 HD3 ARG A 30 16.717 -5.668 -5.255 1.00 2.58 H new ATOM 0 HE ARG A 30 13.795 -5.710 -4.878 1.00 3.27 H new ATOM 0 HH11 ARG A 30 16.549 -6.474 -6.962 1.00 3.96 H new ATOM 0 HH12 ARG A 30 15.628 -7.608 -7.955 1.00 3.96 H new ATOM 0 HH21 ARG A 30 12.629 -7.188 -6.146 1.00 4.57 H new ATOM 0 HH22 ARG A 30 13.418 -8.011 -7.495 1.00 4.57 H new ATOM 488 N SER A 31 17.245 -1.152 -4.707 1.00 1.72 N ATOM 489 CA SER A 31 18.649 -0.811 -4.706 1.00 2.60 C ATOM 490 C SER A 31 18.856 0.518 -3.996 1.00 2.41 C ATOM 491 O SER A 31 19.957 0.822 -3.534 1.00 2.90 O ATOM 492 CB SER A 31 19.169 -0.732 -6.141 1.00 3.49 C ATOM 493 OG SER A 31 18.823 -1.899 -6.874 1.00 4.00 O ATOM 0 H SER A 31 16.733 -0.809 -5.520 1.00 1.72 H new ATOM 0 HA SER A 31 19.205 -1.584 -4.176 1.00 2.60 H new ATOM 0 HB2 SER A 31 18.754 0.147 -6.634 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.252 -0.612 -6.133 1.00 3.49 H new ATOM 0 HG SER A 31 19.165 -1.824 -7.789 1.00 4.00 H new ATOM 499 N ASP A 32 17.792 1.311 -3.902 1.00 1.76 N ATOM 500 CA ASP A 32 17.870 2.572 -3.200 1.00 1.59 C ATOM 501 C ASP A 32 16.906 2.534 -2.033 1.00 1.18 C ATOM 502 O ASP A 32 16.257 1.517 -1.783 1.00 1.25 O ATOM 503 CB ASP A 32 17.522 3.731 -4.143 1.00 1.59 C ATOM 504 CG ASP A 32 18.152 5.047 -3.723 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.674 5.652 -2.743 1.00 2.37 O ATOM 506 OD2 ASP A 32 19.135 5.483 -4.359 1.00 2.08 O ATOM 0 H ASP A 32 16.878 1.099 -4.301 1.00 1.76 H new ATOM 0 HA ASP A 32 18.885 2.729 -2.835 1.00 1.59 H new ATOM 0 HB2 ASP A 32 17.851 3.483 -5.152 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.439 3.849 -4.181 1.00 1.59 H new ATOM 511 N GLN A 33 16.790 3.637 -1.334 1.00 1.02 N ATOM 512 CA GLN A 33 15.935 3.705 -0.176 1.00 0.76 C ATOM 513 C GLN A 33 14.679 4.524 -0.454 1.00 0.55 C ATOM 514 O GLN A 33 14.464 5.569 0.151 1.00 0.72 O ATOM 515 CB GLN A 33 16.717 4.237 1.020 1.00 1.03 C ATOM 516 CG GLN A 33 17.348 5.602 0.808 1.00 1.73 C ATOM 517 CD GLN A 33 17.958 6.145 2.081 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.134 5.916 2.368 1.00 2.42 O ATOM 519 NE2 GLN A 33 17.158 6.855 2.858 1.00 2.92 N ATOM 0 H GLN A 33 17.281 4.505 -1.550 1.00 1.02 H new ATOM 0 HA GLN A 33 15.596 2.698 0.066 1.00 0.76 H new ATOM 0 HB2 GLN A 33 16.049 4.290 1.880 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.502 3.524 1.270 1.00 1.03 H new ATOM 0 HG2 GLN A 33 18.117 5.531 0.039 1.00 1.73 H new ATOM 0 HG3 GLN A 33 16.593 6.298 0.441 1.00 1.73 H new ATOM 0 HE21 GLN A 33 16.191 7.019 2.580 1.00 2.92 H new ATOM 0 HE22 GLN A 33 17.508 7.239 3.736 1.00 2.92 H new ATOM 528 N HIS A 34 13.858 4.050 -1.379 1.00 0.44 N ATOM 529 CA HIS A 34 12.593 4.714 -1.681 1.00 0.36 C ATOM 530 C HIS A 34 11.403 3.856 -1.259 1.00 0.32 C ATOM 531 O HIS A 34 10.314 4.374 -1.020 1.00 0.37 O ATOM 532 CB HIS A 34 12.479 5.028 -3.180 1.00 0.57 C ATOM 533 CG HIS A 34 13.228 6.247 -3.630 1.00 0.85 C ATOM 534 ND1 HIS A 34 12.602 7.435 -3.959 1.00 1.54 N ATOM 535 CD2 HIS A 34 14.550 6.451 -3.854 1.00 1.29 C ATOM 536 CE1 HIS A 34 13.505 8.308 -4.362 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.691 7.736 -4.307 1.00 1.34 N ATOM 0 H HIS A 34 14.041 3.213 -1.932 1.00 0.44 H new ATOM 0 HA HIS A 34 12.579 5.646 -1.116 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.841 4.169 -3.745 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.426 5.154 -3.431 1.00 0.57 H new ATOM 0 HD1 HIS A 34 11.599 7.609 -3.899 1.00 1.54 H new ATOM 0 HD2 HIS A 34 15.344 5.734 -3.703 1.00 1.29 H new ATOM 0 HE1 HIS A 34 13.306 9.320 -4.683 1.00 1.61 H new ATOM 546 N ILE A 35 11.612 2.545 -1.187 1.00 0.38 N ATOM 547 CA ILE A 35 10.512 1.606 -0.980 1.00 0.45 C ATOM 548 C ILE A 35 10.236 1.267 0.491 1.00 0.46 C ATOM 549 O ILE A 35 9.602 0.249 0.765 1.00 0.63 O ATOM 550 CB ILE A 35 10.735 0.289 -1.766 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.812 -0.612 -1.120 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.113 0.607 -3.203 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.226 -0.062 -1.161 1.00 2.04 C ATOM 0 H ILE A 35 12.530 2.108 -1.269 1.00 0.38 H new ATOM 0 HA ILE A 35 9.635 2.130 -1.359 1.00 0.45 H new ATOM 0 HB ILE A 35 9.798 -0.267 -1.742 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.538 -0.789 -0.080 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.801 -1.580 -1.621 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.269 -0.322 -3.752 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.311 1.176 -3.673 1.00 1.51 H new ATOM 0 HG23 ILE A 35 12.031 1.195 -3.216 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.905 -0.768 -0.683 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.528 0.087 -2.198 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.261 0.890 -0.632 1.00 2.04 H new ATOM 565 N GLN A 36 10.679 2.084 1.445 1.00 0.38 N ATOM 566 CA GLN A 36 10.532 1.677 2.843 1.00 0.37 C ATOM 567 C GLN A 36 9.343 2.359 3.525 1.00 0.35 C ATOM 568 O GLN A 36 9.417 3.494 4.018 1.00 0.35 O ATOM 569 CB GLN A 36 11.834 1.928 3.622 1.00 0.43 C ATOM 570 CG GLN A 36 12.135 3.391 3.922 1.00 0.52 C ATOM 571 CD GLN A 36 13.574 3.755 3.624 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.170 3.079 2.652 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.144 4.636 4.260 1.00 1.29 N flip ATOM 0 H GLN A 36 11.122 2.989 1.290 1.00 0.38 H new ATOM 0 HA GLN A 36 10.326 0.607 2.847 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.786 1.382 4.564 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.665 1.511 3.054 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.473 4.024 3.332 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.921 3.596 4.971 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.648 5.132 5.001 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.113 4.872 4.048 1.00 1.29 H new ATOM 582 N LEU A 37 8.251 1.634 3.603 1.00 0.36 N ATOM 583 CA LEU A 37 7.100 2.101 4.330 1.00 0.35 C ATOM 584 C LEU A 37 6.845 1.190 5.509 1.00 0.37 C ATOM 585 O LEU A 37 7.030 -0.019 5.426 1.00 0.48 O ATOM 586 CB LEU A 37 5.861 2.195 3.438 1.00 0.38 C ATOM 587 CG LEU A 37 5.433 0.902 2.738 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.938 0.921 2.467 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.192 0.726 1.431 1.00 0.94 C ATOM 0 H LEU A 37 8.138 0.717 3.170 1.00 0.36 H new ATOM 0 HA LEU A 37 7.308 3.109 4.689 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.028 2.548 4.045 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.044 2.953 2.676 1.00 0.38 H new ATOM 0 HG LEU A 37 5.666 0.063 3.394 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.647 -0.004 1.969 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.398 1.011 3.410 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.695 1.770 1.827 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.875 -0.198 0.948 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.984 1.570 0.773 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.262 0.680 1.635 1.00 0.94 H new ATOM 601 N GLN A 38 6.404 1.761 6.595 1.00 0.34 N ATOM 602 CA GLN A 38 6.193 1.012 7.800 1.00 0.39 C ATOM 603 C GLN A 38 4.764 0.489 7.818 1.00 0.40 C ATOM 604 O GLN A 38 3.813 1.251 7.989 1.00 0.41 O ATOM 605 CB GLN A 38 6.469 1.923 8.988 1.00 0.45 C ATOM 606 CG GLN A 38 6.370 1.236 10.335 1.00 0.93 C ATOM 607 CD GLN A 38 7.265 0.015 10.450 1.00 1.37 C ATOM 608 OE1 GLN A 38 8.342 -0.049 9.856 1.00 2.05 O ATOM 609 NE2 GLN A 38 6.818 -0.972 11.211 1.00 2.12 N ATOM 0 H GLN A 38 6.182 2.754 6.669 1.00 0.34 H new ATOM 0 HA GLN A 38 6.866 0.156 7.853 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.467 2.347 8.882 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.765 2.755 8.965 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.633 1.947 11.118 1.00 0.93 H new ATOM 0 HG3 GLN A 38 5.336 0.938 10.509 1.00 0.93 H new ATOM 0 HE21 GLN A 38 5.921 -0.882 11.688 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.371 -1.822 11.321 1.00 2.12 H new ATOM 618 N LEU A 39 4.627 -0.813 7.612 1.00 0.43 N ATOM 619 CA LEU A 39 3.326 -1.449 7.533 1.00 0.46 C ATOM 620 C LEU A 39 3.072 -2.311 8.752 1.00 0.55 C ATOM 621 O LEU A 39 3.499 -3.460 8.819 1.00 0.77 O ATOM 622 CB LEU A 39 3.241 -2.306 6.274 1.00 0.61 C ATOM 623 CG LEU A 39 2.886 -1.559 4.994 1.00 1.05 C ATOM 624 CD1 LEU A 39 3.090 -2.457 3.784 1.00 1.75 C ATOM 625 CD2 LEU A 39 1.448 -1.073 5.061 1.00 1.45 C ATOM 0 H LEU A 39 5.413 -1.453 7.496 1.00 0.43 H new ATOM 0 HA LEU A 39 2.566 -0.668 7.495 1.00 0.46 H new ATOM 0 HB2 LEU A 39 4.200 -2.804 6.129 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.498 -3.087 6.436 1.00 0.61 H new ATOM 0 HG LEU A 39 3.544 -0.695 4.894 1.00 1.05 H new ATOM 0 HD11 LEU A 39 2.832 -1.910 2.877 1.00 1.75 H new ATOM 0 HD12 LEU A 39 4.133 -2.770 3.735 1.00 1.75 H new ATOM 0 HD13 LEU A 39 2.451 -3.336 3.871 1.00 1.75 H new ATOM 0 HD21 LEU A 39 1.201 -0.540 4.143 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.780 -1.927 5.176 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.330 -0.403 5.913 1.00 1.45 H new ATOM 637 N SER A 40 2.391 -1.744 9.712 1.00 0.46 N ATOM 638 CA SER A 40 2.022 -2.465 10.904 1.00 0.56 C ATOM 639 C SER A 40 0.523 -2.699 10.920 1.00 0.42 C ATOM 640 O SER A 40 -0.219 -2.134 10.112 1.00 0.37 O ATOM 641 CB SER A 40 2.446 -1.681 12.145 1.00 0.71 C ATOM 642 OG SER A 40 3.825 -1.350 12.092 1.00 1.38 O ATOM 0 H SER A 40 2.077 -0.774 9.692 1.00 0.46 H new ATOM 0 HA SER A 40 2.532 -3.429 10.909 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.853 -0.770 12.224 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.244 -2.271 13.039 1.00 0.71 H new ATOM 0 HG SER A 40 4.072 -0.847 12.896 1.00 1.38 H new ATOM 648 N ALA A 41 0.090 -3.514 11.854 1.00 0.56 N ATOM 649 CA ALA A 41 -1.316 -3.628 12.159 1.00 0.56 C ATOM 650 C ALA A 41 -1.490 -3.023 13.529 1.00 0.64 C ATOM 651 O ALA A 41 -1.240 -3.665 14.550 1.00 0.84 O ATOM 652 CB ALA A 41 -1.766 -5.079 12.135 1.00 0.89 C ATOM 0 H ALA A 41 0.696 -4.110 12.418 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.927 -3.112 11.419 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.829 -5.134 12.368 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.590 -5.498 11.144 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.202 -5.647 12.875 1.00 0.89 H new ATOM 658 N GLU A 42 -1.907 -1.767 13.528 1.00 0.92 N ATOM 659 CA GLU A 42 -1.744 -0.909 14.688 1.00 1.34 C ATOM 660 C GLU A 42 -2.993 -0.980 15.529 1.00 1.34 C ATOM 661 O GLU A 42 -2.933 -1.088 16.753 1.00 1.64 O ATOM 662 CB GLU A 42 -1.450 0.531 14.243 1.00 1.88 C ATOM 663 CG GLU A 42 -0.739 1.386 15.287 1.00 2.46 C ATOM 664 CD GLU A 42 0.671 0.913 15.587 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.569 1.101 14.736 1.00 3.12 O ATOM 666 OE2 GLU A 42 0.902 0.374 16.689 1.00 2.70 O ATOM 0 H GLU A 42 -2.362 -1.319 12.733 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.898 -1.247 15.287 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.840 0.501 13.340 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.390 1.014 13.976 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.703 2.418 14.938 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -1.321 1.381 16.209 1.00 2.46 H new ATOM 673 N SER A 43 -4.126 -0.926 14.862 1.00 1.09 N ATOM 674 CA SER A 43 -5.386 -1.185 15.491 1.00 1.14 C ATOM 675 C SER A 43 -5.895 -2.488 14.926 1.00 1.00 C ATOM 676 O SER A 43 -5.697 -2.750 13.746 1.00 1.09 O ATOM 677 CB SER A 43 -6.328 -0.026 15.201 1.00 1.24 C ATOM 678 OG SER A 43 -5.704 1.209 15.512 1.00 1.59 O ATOM 0 H SER A 43 -4.191 -0.701 13.869 1.00 1.09 H new ATOM 0 HA SER A 43 -5.303 -1.270 16.575 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.618 -0.039 14.150 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.241 -0.136 15.786 1.00 1.24 H new ATOM 0 HG SER A 43 -6.321 1.945 15.319 1.00 1.59 H new ATOM 684 N VAL A 44 -6.503 -3.326 15.753 1.00 0.92 N ATOM 685 CA VAL A 44 -6.883 -4.650 15.306 1.00 0.91 C ATOM 686 C VAL A 44 -7.819 -4.555 14.109 1.00 0.77 C ATOM 687 O VAL A 44 -8.881 -3.947 14.175 1.00 0.79 O ATOM 688 CB VAL A 44 -7.528 -5.476 16.433 1.00 1.07 C ATOM 689 CG1 VAL A 44 -7.871 -6.871 15.945 1.00 1.85 C ATOM 690 CG2 VAL A 44 -6.603 -5.549 17.641 1.00 1.83 C ATOM 0 H VAL A 44 -6.739 -3.114 16.722 1.00 0.92 H new ATOM 0 HA VAL A 44 -5.973 -5.169 15.005 1.00 0.91 H new ATOM 0 HB VAL A 44 -8.451 -4.980 16.734 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -8.326 -7.439 16.757 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -8.571 -6.803 15.113 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -6.962 -7.375 15.615 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -7.077 -6.137 18.427 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -5.663 -6.020 17.352 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -6.406 -4.542 18.010 1.00 1.83 H new ATOM 700 N GLY A 45 -7.365 -5.102 12.999 1.00 0.73 N ATOM 701 CA GLY A 45 -8.141 -5.072 11.776 1.00 0.67 C ATOM 702 C GLY A 45 -7.638 -3.999 10.839 1.00 0.54 C ATOM 703 O GLY A 45 -7.691 -4.150 9.615 1.00 0.56 O ATOM 0 H GLY A 45 -6.463 -5.572 12.919 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.088 -6.043 11.284 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.190 -4.891 12.011 1.00 0.67 H new ATOM 707 N GLU A 46 -7.158 -2.905 11.415 1.00 0.56 N ATOM 708 CA GLU A 46 -6.564 -1.832 10.629 1.00 0.50 C ATOM 709 C GLU A 46 -5.095 -2.085 10.360 1.00 0.40 C ATOM 710 O GLU A 46 -4.346 -2.539 11.229 1.00 0.48 O ATOM 711 CB GLU A 46 -6.673 -0.472 11.319 1.00 0.75 C ATOM 712 CG GLU A 46 -7.728 -0.398 12.392 1.00 1.02 C ATOM 713 CD GLU A 46 -9.124 -0.541 11.852 1.00 1.35 C ATOM 714 OE1 GLU A 46 -9.536 0.289 11.022 1.00 1.67 O ATOM 715 OE2 GLU A 46 -9.825 -1.486 12.265 1.00 1.80 O ATOM 0 H GLU A 46 -7.168 -2.737 12.421 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.127 -1.816 9.696 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -5.707 -0.224 11.759 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -6.885 0.287 10.566 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.546 -1.182 13.127 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -7.642 0.555 12.914 1.00 1.02 H new ATOM 722 N VAL A 47 -4.697 -1.763 9.156 1.00 0.33 N ATOM 723 CA VAL A 47 -3.301 -1.715 8.794 1.00 0.33 C ATOM 724 C VAL A 47 -2.902 -0.274 8.613 1.00 0.33 C ATOM 725 O VAL A 47 -3.678 0.541 8.106 1.00 0.36 O ATOM 726 CB VAL A 47 -2.949 -2.510 7.525 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.073 -3.999 7.783 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.820 -2.088 6.352 1.00 0.48 C ATOM 0 H VAL A 47 -5.333 -1.526 8.395 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.748 -2.190 9.604 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.914 -2.290 7.263 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.821 -4.548 6.876 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.391 -4.288 8.583 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.096 -4.234 8.076 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.548 -2.667 5.470 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.868 -2.266 6.594 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.670 -1.027 6.150 1.00 0.48 H new ATOM 738 N TYR A 48 -1.712 0.049 9.045 1.00 0.34 N ATOM 739 CA TYR A 48 -1.295 1.429 9.083 1.00 0.36 C ATOM 740 C TYR A 48 -0.105 1.600 8.165 1.00 0.38 C ATOM 741 O TYR A 48 0.917 0.930 8.317 1.00 0.39 O ATOM 742 CB TYR A 48 -0.941 1.818 10.526 1.00 0.41 C ATOM 743 CG TYR A 48 -0.857 3.310 10.787 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.352 4.237 9.877 1.00 0.91 C ATOM 745 CD2 TYR A 48 -0.291 3.788 11.964 1.00 1.47 C ATOM 746 CE1 TYR A 48 -1.283 5.595 10.131 1.00 1.00 C ATOM 747 CE2 TYR A 48 -0.218 5.143 12.223 1.00 1.79 C ATOM 748 CZ TYR A 48 -0.715 6.042 11.306 1.00 1.23 C ATOM 749 OH TYR A 48 -0.645 7.394 11.563 1.00 1.60 O ATOM 0 H TYR A 48 -1.016 -0.620 9.375 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.100 2.082 8.744 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.687 1.389 11.195 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.016 1.365 10.784 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -1.798 3.891 8.956 1.00 0.91 H new ATOM 0 HD2 TYR A 48 0.098 3.088 12.688 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.672 6.302 9.413 1.00 1.00 H new ATOM 0 HE2 TYR A 48 0.227 5.496 13.141 1.00 1.79 H new ATOM 0 HH TYR A 48 -0.196 7.846 10.818 1.00 1.60 H new ATOM 759 N ILE A 49 -0.257 2.492 7.206 1.00 0.42 N ATOM 760 CA ILE A 49 0.774 2.736 6.223 1.00 0.44 C ATOM 761 C ILE A 49 1.547 3.965 6.633 1.00 0.42 C ATOM 762 O ILE A 49 1.081 5.094 6.481 1.00 0.52 O ATOM 763 CB ILE A 49 0.212 2.933 4.790 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.442 1.650 4.251 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.327 3.374 3.851 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.721 1.249 4.956 1.00 1.20 C ATOM 0 H ILE A 49 -1.094 3.063 7.088 1.00 0.42 H new ATOM 0 HA ILE A 49 1.416 1.855 6.191 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.556 3.705 4.840 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.654 1.784 3.190 1.00 0.62 H new ATOM 0 HG13 ILE A 49 0.274 0.832 4.332 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.925 3.510 2.847 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.749 4.315 4.204 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.107 2.613 3.829 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.111 0.334 4.510 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.516 1.078 6.013 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -2.458 2.046 4.854 1.00 1.20 H new ATOM 778 N LYS A 50 2.710 3.734 7.187 1.00 0.36 N ATOM 779 CA LYS A 50 3.526 4.802 7.697 1.00 0.37 C ATOM 780 C LYS A 50 4.741 5.006 6.826 1.00 0.35 C ATOM 781 O LYS A 50 5.213 4.090 6.163 1.00 0.36 O ATOM 782 CB LYS A 50 3.966 4.524 9.136 1.00 0.44 C ATOM 783 CG LYS A 50 2.816 4.316 10.103 1.00 0.93 C ATOM 784 CD LYS A 50 3.287 4.305 11.552 1.00 0.88 C ATOM 785 CE LYS A 50 3.530 5.712 12.088 1.00 1.35 C ATOM 786 NZ LYS A 50 4.761 6.348 11.534 1.00 1.86 N ATOM 0 H LYS A 50 3.115 2.804 7.296 1.00 0.36 H new ATOM 0 HA LYS A 50 2.922 5.709 7.687 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.601 3.638 9.146 1.00 0.44 H new ATOM 0 HB3 LYS A 50 4.576 5.357 9.486 1.00 0.44 H new ATOM 0 HG2 LYS A 50 2.079 5.108 9.967 1.00 0.93 H new ATOM 0 HG3 LYS A 50 2.317 3.374 9.876 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.542 3.806 12.171 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.206 3.724 11.629 1.00 0.88 H new ATOM 0 HE2 LYS A 50 2.669 6.337 11.853 1.00 1.35 H new ATOM 0 HE3 LYS A 50 3.607 5.672 13.175 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.213 6.928 12.269 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 5.422 5.609 11.221 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 4.507 6.951 10.725 1.00 1.86 H new ATOM 800 N SER A 51 5.218 6.217 6.813 1.00 0.40 N ATOM 801 CA SER A 51 6.494 6.510 6.265 1.00 0.39 C ATOM 802 C SER A 51 7.537 6.224 7.312 1.00 0.39 C ATOM 803 O SER A 51 7.419 6.645 8.465 1.00 0.48 O ATOM 804 CB SER A 51 6.524 7.994 5.919 1.00 0.48 C ATOM 805 OG SER A 51 6.161 8.771 7.045 1.00 1.10 O ATOM 0 H SER A 51 4.724 7.027 7.186 1.00 0.40 H new ATOM 0 HA SER A 51 6.688 5.910 5.376 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.522 8.275 5.582 1.00 0.48 H new ATOM 0 HB3 SER A 51 5.840 8.196 5.094 1.00 0.48 H new ATOM 0 HG SER A 51 6.457 8.320 7.863 1.00 1.10 H new ATOM 811 N THR A 52 8.535 5.463 6.920 1.00 0.35 N ATOM 812 CA THR A 52 9.718 5.375 7.712 1.00 0.41 C ATOM 813 C THR A 52 10.491 6.645 7.438 1.00 0.45 C ATOM 814 O THR A 52 10.165 7.700 7.983 1.00 0.53 O ATOM 815 CB THR A 52 10.540 4.124 7.360 1.00 0.43 C ATOM 816 OG1 THR A 52 9.684 2.978 7.388 1.00 0.62 O ATOM 817 CG2 THR A 52 11.686 3.927 8.338 1.00 0.77 C ATOM 0 H THR A 52 8.542 4.906 6.066 1.00 0.35 H new ATOM 0 HA THR A 52 9.480 5.278 8.771 1.00 0.41 H new ATOM 0 HB THR A 52 10.963 4.255 6.364 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.171 2.932 6.554 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.249 3.035 8.064 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.344 4.795 8.307 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.288 3.809 9.346 1.00 0.77 H new ATOM 825 N GLU A 53 11.499 6.582 6.614 1.00 0.46 N ATOM 826 CA GLU A 53 12.103 7.819 6.168 1.00 0.53 C ATOM 827 C GLU A 53 11.419 8.301 4.884 1.00 0.44 C ATOM 828 O GLU A 53 11.042 9.462 4.754 1.00 0.47 O ATOM 829 CB GLU A 53 13.600 7.620 5.931 1.00 0.68 C ATOM 830 CG GLU A 53 14.345 8.912 5.645 1.00 1.43 C ATOM 831 CD GLU A 53 14.290 9.878 6.811 1.00 1.83 C ATOM 832 OE1 GLU A 53 13.338 10.680 6.883 1.00 2.55 O ATOM 833 OE2 GLU A 53 15.201 9.839 7.661 1.00 2.11 O ATOM 0 H GLU A 53 11.912 5.725 6.245 1.00 0.46 H new ATOM 0 HA GLU A 53 11.972 8.576 6.941 1.00 0.53 H new ATOM 0 HB2 GLU A 53 14.038 7.144 6.808 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.740 6.936 5.094 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.386 8.685 5.413 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.918 9.387 4.762 1.00 1.43 H new ATOM 840 N THR A 54 11.255 7.372 3.955 1.00 0.36 N ATOM 841 CA THR A 54 10.704 7.663 2.635 1.00 0.30 C ATOM 842 C THR A 54 9.341 6.997 2.374 1.00 0.31 C ATOM 843 O THR A 54 8.950 6.855 1.219 1.00 0.38 O ATOM 844 CB THR A 54 11.709 7.213 1.557 1.00 0.40 C ATOM 845 OG1 THR A 54 11.306 7.653 0.260 1.00 1.13 O ATOM 846 CG2 THR A 54 11.838 5.704 1.558 1.00 0.93 C ATOM 0 H THR A 54 11.500 6.392 4.093 1.00 0.36 H new ATOM 0 HA THR A 54 10.536 8.739 2.594 1.00 0.30 H new ATOM 0 HB THR A 54 12.673 7.663 1.793 1.00 0.40 H new ATOM 0 HG1 THR A 54 12.079 7.647 -0.342 1.00 1.13 H new ATOM 0 HG21 THR A 54 12.551 5.399 0.792 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.189 5.370 2.534 1.00 0.93 H new ATOM 0 HG23 THR A 54 10.867 5.256 1.349 1.00 0.93 H new ATOM 854 N GLY A 55 8.608 6.572 3.395 1.00 0.33 N ATOM 855 CA GLY A 55 7.679 5.481 3.137 1.00 0.40 C ATOM 856 C GLY A 55 6.268 5.848 2.720 1.00 0.46 C ATOM 857 O GLY A 55 5.623 4.996 2.118 1.00 0.56 O ATOM 0 H GLY A 55 8.631 6.936 4.348 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.107 4.852 2.357 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.616 4.872 4.039 1.00 0.40 H new ATOM 861 N GLN A 56 5.804 7.075 3.016 1.00 0.43 N ATOM 862 CA GLN A 56 4.581 7.658 2.379 1.00 0.54 C ATOM 863 C GLN A 56 3.867 8.712 3.236 1.00 0.56 C ATOM 864 O GLN A 56 3.742 8.566 4.449 1.00 0.63 O ATOM 865 CB GLN A 56 3.544 6.590 2.012 1.00 0.81 C ATOM 866 CG GLN A 56 3.363 6.450 0.514 1.00 0.91 C ATOM 867 CD GLN A 56 2.708 7.673 -0.069 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.877 8.295 0.565 1.00 2.18 O ATOM 869 NE2 GLN A 56 3.094 8.062 -1.259 1.00 1.06 N ATOM 0 H GLN A 56 6.250 7.694 3.693 1.00 0.43 H new ATOM 0 HA GLN A 56 4.972 8.139 1.482 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.851 5.631 2.429 1.00 0.81 H new ATOM 0 HB3 GLN A 56 2.587 6.844 2.468 1.00 0.81 H new ATOM 0 HG2 GLN A 56 4.332 6.292 0.041 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.756 5.571 0.298 1.00 0.91 H new ATOM 0 HE21 GLN A 56 3.793 7.523 -1.770 1.00 1.06 H new ATOM 0 HE22 GLN A 56 2.696 8.904 -1.674 1.00 1.06 H new ATOM 878 N TYR A 57 3.334 9.749 2.573 1.00 0.57 N ATOM 879 CA TYR A 57 2.368 10.649 3.214 1.00 0.62 C ATOM 880 C TYR A 57 1.014 10.177 2.785 1.00 0.59 C ATOM 881 O TYR A 57 0.259 10.912 2.156 1.00 0.67 O ATOM 882 CB TYR A 57 2.521 12.133 2.808 1.00 0.76 C ATOM 883 CG TYR A 57 1.815 13.138 3.714 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.429 13.153 3.829 1.00 2.17 C ATOM 885 CD2 TYR A 57 2.534 14.072 4.452 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.212 14.066 4.646 1.00 3.20 C ATOM 887 CE2 TYR A 57 1.903 14.986 5.270 1.00 3.64 C ATOM 888 CZ TYR A 57 0.520 14.965 5.373 1.00 3.91 C ATOM 889 OH TYR A 57 -0.101 15.897 6.177 1.00 4.98 O ATOM 0 H TYR A 57 3.553 9.982 1.605 1.00 0.57 H new ATOM 0 HA TYR A 57 2.529 10.615 4.291 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.583 12.377 2.782 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.141 12.255 1.794 1.00 0.76 H new ATOM 0 HD1 TYR A 57 -0.157 12.439 3.270 1.00 2.17 H new ATOM 0 HD2 TYR A 57 3.612 14.082 4.383 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.290 14.070 4.710 1.00 3.20 H new ATOM 0 HE2 TYR A 57 2.480 15.711 5.825 1.00 3.64 H new ATOM 0 HH TYR A 57 0.576 16.451 6.618 1.00 4.98 H new ATOM 899 N LEU A 58 0.691 8.953 3.108 1.00 0.55 N ATOM 900 CA LEU A 58 -0.406 8.337 2.417 1.00 0.58 C ATOM 901 C LEU A 58 -1.724 8.853 2.916 1.00 0.56 C ATOM 902 O LEU A 58 -2.104 8.716 4.077 1.00 0.72 O ATOM 903 CB LEU A 58 -0.332 6.820 2.441 1.00 0.70 C ATOM 904 CG LEU A 58 -0.379 6.221 1.039 1.00 1.32 C ATOM 905 CD1 LEU A 58 0.069 4.770 1.042 1.00 1.59 C ATOM 906 CD2 LEU A 58 -1.779 6.336 0.462 1.00 1.85 C ATOM 0 H LEU A 58 1.152 8.382 3.817 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.324 8.622 1.368 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.588 6.510 2.936 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.160 6.426 3.031 1.00 0.70 H new ATOM 0 HG LEU A 58 0.311 6.785 0.412 1.00 1.32 H new ATOM 0 HD11 LEU A 58 0.024 4.373 0.028 1.00 1.59 H new ATOM 0 HD12 LEU A 58 1.093 4.706 1.411 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.587 4.188 1.689 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -1.797 5.904 -0.539 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.481 5.800 1.101 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.066 7.386 0.409 1.00 1.85 H new ATOM 918 N ALA A 59 -2.381 9.494 1.983 1.00 0.47 N ATOM 919 CA ALA A 59 -3.610 10.193 2.221 1.00 0.46 C ATOM 920 C ALA A 59 -4.609 9.828 1.140 1.00 0.46 C ATOM 921 O ALA A 59 -4.422 10.159 -0.033 1.00 0.51 O ATOM 922 CB ALA A 59 -3.348 11.694 2.240 1.00 0.54 C ATOM 0 H ALA A 59 -2.065 9.543 1.014 1.00 0.47 H new ATOM 0 HA ALA A 59 -4.023 9.906 3.188 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.283 12.224 2.421 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.638 11.929 3.033 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.935 12.004 1.280 1.00 0.54 H new ATOM 928 N MET A 60 -5.644 9.112 1.525 1.00 0.48 N ATOM 929 CA MET A 60 -6.666 8.703 0.593 1.00 0.52 C ATOM 930 C MET A 60 -7.702 9.808 0.470 1.00 0.55 C ATOM 931 O MET A 60 -8.195 10.307 1.482 1.00 0.74 O ATOM 932 CB MET A 60 -7.306 7.424 1.109 1.00 0.66 C ATOM 933 CG MET A 60 -8.127 6.686 0.082 1.00 1.76 C ATOM 934 SD MET A 60 -8.637 5.074 0.681 1.00 2.80 S ATOM 935 CE MET A 60 -9.435 4.441 -0.781 1.00 3.74 C ATOM 0 H MET A 60 -5.798 8.801 2.484 1.00 0.48 H new ATOM 0 HA MET A 60 -6.237 8.518 -0.392 1.00 0.52 H new ATOM 0 HB2 MET A 60 -6.522 6.761 1.476 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.942 7.667 1.960 1.00 0.66 H new ATOM 0 HG2 MET A 60 -9.008 7.276 -0.173 1.00 1.76 H new ATOM 0 HG3 MET A 60 -7.546 6.568 -0.833 1.00 1.76 H new ATOM 0 HE1 MET A 60 -10.492 4.271 -0.574 1.00 3.74 H new ATOM 0 HE2 MET A 60 -9.335 5.163 -1.591 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.967 3.501 -1.073 1.00 3.74 H new ATOM 945 N ASP A 61 -8.041 10.189 -0.755 1.00 0.51 N ATOM 946 CA ASP A 61 -8.858 11.357 -0.959 1.00 0.56 C ATOM 947 C ASP A 61 -10.254 10.923 -1.317 1.00 0.56 C ATOM 948 O ASP A 61 -10.487 10.329 -2.373 1.00 0.64 O ATOM 949 CB ASP A 61 -8.261 12.298 -2.013 1.00 0.71 C ATOM 950 CG ASP A 61 -8.543 11.920 -3.455 1.00 1.02 C ATOM 951 OD1 ASP A 61 -7.790 11.085 -4.009 1.00 1.34 O ATOM 952 OD2 ASP A 61 -9.525 12.423 -4.034 1.00 1.58 O ATOM 0 H ASP A 61 -7.762 9.706 -1.609 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.892 11.931 -0.033 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -8.644 13.303 -1.837 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.181 12.338 -1.870 1.00 0.71 H new ATOM 957 N THR A 62 -11.157 11.178 -0.378 1.00 0.65 N ATOM 958 CA THR A 62 -12.500 10.689 -0.378 1.00 0.83 C ATOM 959 C THR A 62 -12.460 9.183 -0.231 1.00 0.87 C ATOM 960 O THR A 62 -12.858 8.668 0.811 1.00 1.31 O ATOM 961 CB THR A 62 -13.334 11.149 -1.593 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.917 10.525 -2.814 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.259 12.661 -1.751 1.00 1.55 C ATOM 0 H THR A 62 -10.948 11.759 0.434 1.00 0.65 H new ATOM 0 HA THR A 62 -13.025 11.126 0.472 1.00 0.83 H new ATOM 0 HB THR A 62 -14.362 10.845 -1.396 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.969 10.717 -2.972 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.853 12.967 -2.612 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.649 13.140 -0.853 1.00 1.55 H new ATOM 0 HG23 THR A 62 -12.222 12.960 -1.901 1.00 1.55 H new ATOM 971 N ASP A 63 -11.893 8.522 -1.240 1.00 0.78 N ATOM 972 CA ASP A 63 -11.662 7.071 -1.232 1.00 0.88 C ATOM 973 C ASP A 63 -11.414 6.543 -2.646 1.00 0.87 C ATOM 974 O ASP A 63 -11.451 5.350 -2.886 1.00 0.96 O ATOM 975 CB ASP A 63 -12.873 6.394 -0.632 1.00 1.05 C ATOM 976 CG ASP A 63 -12.584 5.081 0.062 1.00 1.19 C ATOM 977 OD1 ASP A 63 -12.234 5.090 1.249 1.00 1.54 O ATOM 978 OD2 ASP A 63 -12.663 4.036 -0.608 1.00 1.42 O ATOM 0 H ASP A 63 -11.577 8.979 -2.095 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.774 6.854 -0.638 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.335 7.074 0.084 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.603 6.219 -1.422 1.00 1.05 H new ATOM 983 N GLY A 64 -11.139 7.444 -3.576 1.00 0.82 N ATOM 984 CA GLY A 64 -11.013 7.062 -4.970 1.00 0.89 C ATOM 985 C GLY A 64 -9.572 6.956 -5.410 1.00 0.90 C ATOM 986 O GLY A 64 -9.222 6.117 -6.242 1.00 1.17 O ATOM 0 H GLY A 64 -11.000 8.437 -3.391 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.510 6.105 -5.128 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.527 7.794 -5.592 1.00 0.89 H new ATOM 990 N LEU A 65 -8.742 7.814 -4.855 1.00 0.72 N ATOM 991 CA LEU A 65 -7.311 7.810 -5.125 1.00 0.71 C ATOM 992 C LEU A 65 -6.574 8.109 -3.828 1.00 0.67 C ATOM 993 O LEU A 65 -7.173 8.597 -2.872 1.00 0.79 O ATOM 994 CB LEU A 65 -6.927 8.860 -6.176 1.00 0.74 C ATOM 995 CG LEU A 65 -7.844 8.970 -7.399 1.00 1.41 C ATOM 996 CD1 LEU A 65 -7.494 10.209 -8.205 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.741 7.736 -8.277 1.00 2.04 C ATOM 0 H LEU A 65 -9.037 8.539 -4.201 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.036 6.831 -5.516 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.891 9.834 -5.688 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -5.918 8.641 -6.525 1.00 0.74 H new ATOM 0 HG LEU A 65 -8.871 9.049 -7.043 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.152 10.277 -9.072 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -7.620 11.095 -7.583 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -6.459 10.145 -8.540 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.403 7.844 -9.136 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -6.714 7.620 -8.623 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -8.032 6.856 -7.703 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.297 7.772 -3.774 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.496 8.029 -2.582 1.00 0.68 C ATOM 1011 C LEU A 66 -3.097 8.517 -2.943 1.00 0.63 C ATOM 1012 O LEU A 66 -2.331 7.834 -3.641 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.460 6.769 -1.730 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.956 5.535 -2.466 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -3.827 4.879 -3.229 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -5.621 4.559 -1.520 1.00 1.56 C ATOM 0 H LEU A 66 -4.791 7.321 -4.536 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.955 8.831 -2.004 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.438 6.596 -1.391 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.069 6.923 -0.839 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.710 5.853 -3.186 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -4.203 3.998 -3.749 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -3.421 5.583 -3.955 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -3.042 4.583 -2.533 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -5.964 3.688 -2.078 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -4.906 4.244 -0.760 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.473 5.041 -1.040 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.767 9.705 -2.475 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.504 10.313 -2.812 1.00 0.63 C ATOM 1030 C TYR A 67 -0.767 10.707 -1.541 1.00 0.70 C ATOM 1031 O TYR A 67 -1.384 11.123 -0.567 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.782 11.539 -3.690 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.525 12.662 -2.985 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.887 12.566 -2.721 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.861 13.818 -2.585 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.563 13.590 -2.080 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.531 14.842 -1.945 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.891 14.715 -1.691 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.551 15.747 -1.059 1.00 1.64 O ATOM 0 H TYR A 67 -3.359 10.265 -1.861 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.873 9.612 -3.359 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.834 11.926 -4.063 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.362 11.225 -4.558 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.426 11.679 -3.021 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.803 13.916 -2.779 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.622 13.500 -1.887 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.002 15.734 -1.644 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.916 16.465 -0.854 1.00 1.64 H new ATOM 1049 N GLY A 68 0.547 10.604 -1.565 1.00 0.66 N ATOM 1050 CA GLY A 68 1.349 10.997 -0.426 1.00 0.80 C ATOM 1051 C GLY A 68 2.811 11.070 -0.773 1.00 0.81 C ATOM 1052 O GLY A 68 3.192 10.690 -1.880 1.00 0.85 O ATOM 0 H GLY A 68 1.080 10.252 -2.360 1.00 0.66 H new ATOM 0 HA2 GLY A 68 1.013 11.968 -0.062 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.203 10.284 0.385 1.00 0.80 H new ATOM 1056 N SER A 69 3.645 11.564 0.136 1.00 0.91 N ATOM 1057 CA SER A 69 5.069 11.259 0.048 1.00 1.08 C ATOM 1058 C SER A 69 5.800 11.154 1.408 1.00 1.38 C ATOM 1059 O SER A 69 6.382 10.118 1.714 1.00 1.62 O ATOM 1060 CB SER A 69 5.778 12.325 -0.796 1.00 1.08 C ATOM 1061 OG SER A 69 5.061 12.604 -1.981 1.00 1.39 O ATOM 0 H SER A 69 3.372 12.159 0.919 1.00 0.91 H new ATOM 0 HA SER A 69 5.118 10.272 -0.411 1.00 1.08 H new ATOM 0 HB2 SER A 69 5.889 13.239 -0.212 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.782 11.984 -1.048 1.00 1.08 H new ATOM 0 HG SER A 69 5.606 12.360 -2.758 1.00 1.39 H new ATOM 1067 N GLN A 70 5.742 12.200 2.228 1.00 1.49 N ATOM 1068 CA GLN A 70 6.623 12.274 3.416 1.00 1.85 C ATOM 1069 C GLN A 70 6.106 11.658 4.728 1.00 1.93 C ATOM 1070 O GLN A 70 6.853 10.986 5.432 1.00 2.19 O ATOM 1071 CB GLN A 70 7.017 13.728 3.672 1.00 2.07 C ATOM 1072 CG GLN A 70 8.183 14.197 2.817 1.00 2.63 C ATOM 1073 CD GLN A 70 9.475 13.472 3.152 1.00 3.22 C ATOM 1074 OE1 GLN A 70 9.692 13.057 4.291 1.00 3.66 O ATOM 1075 NE2 GLN A 70 10.343 13.314 2.166 1.00 3.79 N ATOM 0 H GLN A 70 5.115 12.995 2.107 1.00 1.49 H new ATOM 0 HA GLN A 70 7.469 11.644 3.142 1.00 1.85 H new ATOM 0 HB2 GLN A 70 6.156 14.369 3.482 1.00 2.07 H new ATOM 0 HB3 GLN A 70 7.277 13.847 4.724 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.944 14.041 1.765 1.00 2.63 H new ATOM 0 HG3 GLN A 70 8.324 15.269 2.956 1.00 2.63 H new ATOM 0 HE21 GLN A 70 10.128 13.672 1.235 1.00 3.79 H new ATOM 0 HE22 GLN A 70 11.227 12.835 2.337 1.00 3.79 H new ATOM 1084 N THR A 71 4.855 11.913 5.067 1.00 1.75 N ATOM 1085 CA THR A 71 4.372 11.692 6.451 1.00 1.78 C ATOM 1086 C THR A 71 3.024 10.958 6.497 1.00 1.56 C ATOM 1087 O THR A 71 2.136 11.286 5.745 1.00 1.63 O ATOM 1088 CB THR A 71 4.268 13.057 7.175 1.00 1.94 C ATOM 1089 OG1 THR A 71 5.559 13.681 7.203 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.746 12.920 8.598 1.00 2.31 C ATOM 0 H THR A 71 4.149 12.270 4.423 1.00 1.75 H new ATOM 0 HA THR A 71 5.092 11.050 6.958 1.00 1.78 H new ATOM 0 HB THR A 71 3.556 13.668 6.620 1.00 1.94 H new ATOM 0 HG1 THR A 71 5.494 14.546 7.659 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.692 13.905 9.062 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.752 12.472 8.580 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.420 12.285 9.173 1.00 2.31 H new ATOM 1098 N PRO A 72 2.761 10.061 7.449 1.00 1.41 N ATOM 1099 CA PRO A 72 1.559 9.258 7.383 1.00 1.20 C ATOM 1100 C PRO A 72 0.517 9.661 8.419 1.00 1.04 C ATOM 1101 O PRO A 72 0.648 9.416 9.620 1.00 1.06 O ATOM 1102 CB PRO A 72 2.121 7.889 7.731 1.00 1.31 C ATOM 1103 CG PRO A 72 3.247 8.167 8.699 1.00 1.49 C ATOM 1104 CD PRO A 72 3.618 9.631 8.551 1.00 1.53 C ATOM 0 HA PRO A 72 1.042 9.339 6.427 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.360 7.252 8.182 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.483 7.372 6.842 1.00 1.31 H new ATOM 0 HG2 PRO A 72 2.937 7.951 9.721 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.105 7.530 8.484 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.421 10.194 9.463 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.675 9.761 8.318 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.518 10.316 7.915 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.623 10.784 8.736 1.00 0.86 C ATOM 1114 C ASN A 73 -2.615 9.672 8.708 1.00 0.68 C ATOM 1115 O ASN A 73 -2.375 8.684 8.001 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.222 12.075 8.157 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.322 13.295 8.328 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -0.026 13.076 8.481 1.00 2.21 O flip ATOM 1119 ND2 ASN A 73 -1.794 14.432 8.321 1.00 2.17 N flip ATOM 0 H ASN A 73 -0.615 10.538 6.924 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.310 11.025 9.752 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.424 11.928 7.096 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.180 12.270 8.639 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -2.798 14.567 8.201 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -1.181 15.239 8.435 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.755 9.758 9.352 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.642 8.728 8.980 1.00 0.47 C ATOM 1128 C GLU A 74 -5.672 9.304 8.058 1.00 0.52 C ATOM 1129 O GLU A 74 -6.656 9.946 8.411 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.280 8.073 10.212 1.00 0.49 C ATOM 1131 CG GLU A 74 -5.879 9.054 11.207 1.00 1.15 C ATOM 1132 CD GLU A 74 -6.487 8.361 12.407 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -5.741 8.026 13.346 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -7.716 8.146 12.417 1.00 1.84 O ATOM 0 H GLU A 74 -4.052 10.443 10.047 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.098 7.938 8.462 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.061 7.388 9.881 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.525 7.473 10.721 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.105 9.744 11.543 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.644 9.650 10.709 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.346 8.983 6.840 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.191 8.816 5.708 1.00 0.52 C ATOM 1143 C GLU A 75 -5.775 7.492 5.099 1.00 0.40 C ATOM 1144 O GLU A 75 -6.476 6.915 4.276 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.923 9.922 4.708 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.402 11.293 5.150 1.00 0.89 C ATOM 1147 CD GLU A 75 -7.893 11.478 4.945 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -8.685 10.838 5.664 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -8.281 12.257 4.049 1.00 2.16 O ATOM 0 H GLU A 75 -4.370 8.815 6.596 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.247 8.842 5.977 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.851 9.969 4.515 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.406 9.668 3.765 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -6.162 11.436 6.204 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.863 12.060 4.593 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.539 7.075 5.465 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.945 5.871 4.914 1.00 0.47 C ATOM 1158 C CYS A 76 -4.470 4.601 5.588 1.00 0.40 C ATOM 1159 O CYS A 76 -4.070 3.500 5.225 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.424 5.931 5.067 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.845 5.866 6.777 1.00 1.40 S ATOM 0 H CYS A 76 -3.950 7.565 6.138 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.222 5.826 3.861 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.982 5.102 4.514 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.060 6.850 4.607 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.552 5.728 6.793 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.368 4.749 6.557 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.833 3.608 7.331 1.00 0.46 C ATOM 1169 C LEU A 77 -6.646 2.688 6.455 1.00 0.39 C ATOM 1170 O LEU A 77 -7.637 3.107 5.854 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.682 4.049 8.526 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.913 4.620 9.716 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.878 4.993 10.830 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.885 3.618 10.218 1.00 1.59 C ATOM 0 H LEU A 77 -5.784 5.642 6.822 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.955 3.084 7.708 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.394 4.800 8.184 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.263 3.193 8.870 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.386 5.518 9.392 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -6.320 5.399 11.674 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.582 5.742 10.466 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.425 4.106 11.150 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -4.347 4.042 11.066 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.390 2.704 10.530 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.180 3.389 9.419 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.239 1.439 6.384 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.929 0.485 5.569 1.00 0.39 C ATOM 1188 C PHE A 78 -7.312 -0.741 6.395 1.00 0.36 C ATOM 1189 O PHE A 78 -6.763 -0.968 7.472 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.052 0.068 4.391 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.689 1.197 3.464 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.626 2.155 3.109 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.406 1.305 2.961 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -6.288 3.197 2.269 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.061 2.347 2.121 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.004 3.294 1.775 1.00 0.84 C ATOM 0 H PHE A 78 -5.432 1.068 6.885 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.839 0.948 5.187 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.136 -0.381 4.775 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.570 -0.703 3.821 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.633 2.085 3.494 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.664 0.566 3.228 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.028 3.936 1.999 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.055 2.420 1.736 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.737 4.109 1.119 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.263 -1.515 5.899 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.666 -2.754 6.552 1.00 0.37 C ATOM 1208 C LEU A 79 -7.952 -3.918 5.895 1.00 0.35 C ATOM 1209 O LEU A 79 -7.872 -3.988 4.670 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.191 -2.935 6.484 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.766 -4.226 7.097 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.206 -4.006 7.531 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -10.717 -5.378 6.102 1.00 1.09 C ATOM 0 H LEU A 79 -8.774 -1.307 5.041 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.388 -2.713 7.605 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.656 -2.085 6.984 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.492 -2.893 5.437 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.154 -4.482 7.962 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.601 -4.926 7.962 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.244 -3.211 8.275 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.807 -3.724 6.667 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.130 -6.275 6.564 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.303 -5.122 5.219 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -9.683 -5.563 5.810 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.440 -4.824 6.702 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.677 -5.957 6.175 1.00 0.42 C ATOM 1227 C GLU A 80 -7.547 -7.204 6.025 1.00 0.40 C ATOM 1228 O GLU A 80 -8.186 -7.649 6.978 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.505 -6.285 7.096 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.621 -7.398 6.561 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.700 -7.970 7.613 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -2.607 -7.402 7.814 1.00 2.07 O ATOM 1233 OE2 GLU A 80 -4.064 -8.979 8.248 1.00 1.69 O ATOM 0 H GLU A 80 -7.532 -4.807 7.718 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.310 -5.665 5.191 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -4.902 -5.388 7.241 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.889 -6.573 8.075 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.249 -8.195 6.162 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.025 -7.016 5.732 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.549 -7.767 4.818 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.306 -8.969 4.510 1.00 0.39 C ATOM 1242 C ARG A 81 -7.369 -9.965 3.848 1.00 0.48 C ATOM 1243 O ARG A 81 -6.686 -9.626 2.899 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.491 -8.626 3.598 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.264 -9.830 3.074 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.750 -10.744 4.192 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.491 -10.025 5.228 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.817 -9.914 5.263 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -13.561 -10.451 4.300 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.397 -9.267 6.268 1.00 3.75 N ATOM 0 H ARG A 81 -7.022 -7.398 4.026 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.712 -9.409 5.421 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.178 -7.981 4.146 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.123 -8.051 2.749 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -11.120 -9.484 2.494 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.628 -10.398 2.395 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.387 -11.521 3.769 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -9.894 -11.244 4.645 1.00 1.34 H new ATOM 0 HE ARG A 81 -10.956 -9.579 5.973 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -13.116 -10.951 3.530 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -14.577 -10.363 4.331 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -12.827 -8.858 7.008 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -14.413 -9.179 6.299 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.325 -11.179 4.340 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.337 -12.133 3.866 1.00 0.82 C ATOM 1266 C LEU A 82 -6.927 -13.111 2.865 1.00 0.66 C ATOM 1267 O LEU A 82 -7.955 -13.742 3.115 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.703 -12.883 5.038 1.00 1.25 C ATOM 1269 CG LEU A 82 -4.781 -12.036 5.918 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -4.181 -12.878 7.030 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.678 -11.405 5.077 1.00 1.65 C ATOM 0 H LEU A 82 -7.953 -11.533 5.062 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.561 -11.566 3.351 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -6.498 -13.295 5.660 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.134 -13.727 4.646 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.373 -11.240 6.370 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -3.529 -12.258 7.645 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -4.980 -13.287 7.648 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -3.603 -13.694 6.597 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.030 -10.806 5.717 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.091 -12.189 4.599 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.123 -10.768 4.312 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.270 -13.208 1.720 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.626 -14.180 0.707 1.00 0.82 C ATOM 1285 C GLU A 83 -5.828 -15.452 0.974 1.00 1.29 C ATOM 1286 O GLU A 83 -4.676 -15.387 1.406 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.319 -13.621 -0.687 1.00 1.39 C ATOM 1288 CG GLU A 83 -7.363 -13.967 -1.739 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.562 -15.455 -1.896 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -6.829 -16.071 -2.698 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -8.462 -16.008 -1.236 1.00 2.36 O ATOM 0 H GLU A 83 -5.478 -12.616 1.470 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.692 -14.402 0.745 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.231 -12.537 -0.621 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.350 -14.000 -1.013 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -8.312 -13.504 -1.469 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -7.062 -13.542 -2.697 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.415 -16.601 0.713 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.810 -17.850 1.139 1.00 1.78 C ATOM 1300 C GLU A 84 -4.957 -18.475 0.045 1.00 1.46 C ATOM 1301 O GLU A 84 -4.357 -19.529 0.246 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.885 -18.818 1.619 1.00 2.65 C ATOM 1303 CG GLU A 84 -7.568 -18.344 2.891 1.00 3.44 C ATOM 1304 CD GLU A 84 -8.579 -19.332 3.417 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -8.171 -20.413 3.887 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -9.789 -19.040 3.341 1.00 3.98 O ATOM 0 H GLU A 84 -7.299 -16.699 0.214 1.00 1.26 H new ATOM 0 HA GLU A 84 -5.141 -17.629 1.970 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.632 -18.945 0.835 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.437 -19.796 1.794 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -6.814 -18.162 3.656 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -8.063 -17.392 2.699 1.00 3.44 H new ATOM 1313 N ASN A 85 -4.874 -17.818 -1.103 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.979 -18.273 -2.162 1.00 2.36 C ATOM 1315 C ASN A 85 -2.633 -17.560 -2.054 1.00 1.83 C ATOM 1316 O ASN A 85 -2.001 -17.216 -3.054 1.00 2.36 O ATOM 1317 CB ASN A 85 -4.606 -18.051 -3.544 1.00 3.24 C ATOM 1318 CG ASN A 85 -3.827 -18.724 -4.661 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -3.218 -19.779 -4.469 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -3.840 -18.116 -5.838 1.00 4.33 N ATOM 0 H ASN A 85 -5.408 -16.978 -1.326 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.816 -19.344 -2.041 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -5.627 -18.432 -3.540 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -4.666 -16.981 -3.743 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -3.334 -18.520 -6.626 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -4.356 -17.244 -5.956 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.204 -17.363 -0.813 1.00 1.13 N ATOM 1328 CA HIS A 86 -0.928 -16.703 -0.500 1.00 1.29 C ATOM 1329 C HIS A 86 -0.927 -15.235 -0.924 1.00 1.07 C ATOM 1330 O HIS A 86 0.073 -14.732 -1.439 1.00 1.43 O ATOM 1331 CB HIS A 86 0.252 -17.428 -1.161 1.00 2.00 C ATOM 1332 CG HIS A 86 0.498 -18.804 -0.629 1.00 2.54 C ATOM 1333 ND1 HIS A 86 1.501 -19.094 0.266 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -0.127 -19.977 -0.882 1.00 3.02 C ATOM 1335 CE1 HIS A 86 1.483 -20.383 0.540 1.00 3.99 C ATOM 1336 NE2 HIS A 86 0.506 -20.943 -0.144 1.00 3.81 N ATOM 0 H HIS A 86 -2.728 -17.655 0.012 1.00 1.13 H new ATOM 0 HA HIS A 86 -0.812 -16.749 0.583 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.071 -17.492 -2.234 1.00 2.00 H new ATOM 0 HB3 HIS A 86 1.154 -16.831 -1.025 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -0.968 -20.125 -1.543 1.00 3.02 H new ATOM 0 HE1 HIS A 86 2.156 -20.894 1.212 1.00 3.99 H new ATOM 0 HE2 HIS A 86 0.261 -21.933 -0.127 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.036 -14.548 -0.697 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.139 -13.134 -1.041 1.00 0.49 C ATOM 1347 C TYR A 87 -2.823 -12.356 0.074 1.00 0.46 C ATOM 1348 O TYR A 87 -3.518 -12.924 0.908 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.915 -12.935 -2.348 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.197 -13.440 -3.582 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.017 -12.847 -4.015 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.703 -14.504 -4.316 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.362 -13.302 -5.145 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -2.054 -14.965 -5.446 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.886 -14.360 -5.854 1.00 2.70 C ATOM 1356 OH TYR A 87 -0.240 -14.816 -6.982 1.00 3.60 O ATOM 0 H TYR A 87 -2.877 -14.944 -0.277 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.125 -12.758 -1.174 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.876 -13.443 -2.267 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.126 -11.873 -2.474 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.605 -12.017 -3.460 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.619 -14.980 -3.999 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.554 -12.831 -5.469 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.460 -15.795 -6.006 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.740 -15.568 -7.364 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.606 -11.056 0.088 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.272 -10.175 1.025 1.00 0.38 C ATOM 1368 C ASN A 88 -4.072 -9.145 0.271 1.00 0.34 C ATOM 1369 O ASN A 88 -3.716 -8.755 -0.840 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.267 -9.496 1.954 1.00 0.43 C ATOM 1371 CG ASN A 88 -0.960 -9.176 1.271 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.073 -10.155 1.228 1.00 1.80 O flip ATOM 1373 ND2 ASN A 88 -0.748 -8.069 0.783 1.00 1.60 N flip ATOM 0 H ASN A 88 -1.965 -10.582 -0.548 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.944 -10.771 1.643 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -2.703 -8.576 2.343 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.075 -10.144 2.809 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.461 -7.342 0.839 1.00 1.60 H new ATOM 0 HD22 ASN A 88 0.141 -7.877 0.322 1.00 1.60 H new ATOM 1380 N THR A 89 -5.178 -8.761 0.860 1.00 0.36 N ATOM 1381 CA THR A 89 -6.079 -7.810 0.268 1.00 0.37 C ATOM 1382 C THR A 89 -6.322 -6.687 1.263 1.00 0.37 C ATOM 1383 O THR A 89 -6.033 -6.847 2.446 1.00 0.40 O ATOM 1384 CB THR A 89 -7.401 -8.501 -0.106 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.125 -9.811 -0.629 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.136 -7.695 -1.160 1.00 0.49 C ATOM 0 H THR A 89 -5.478 -9.105 1.772 1.00 0.36 H new ATOM 0 HA THR A 89 -5.644 -7.398 -0.643 1.00 0.37 H new ATOM 0 HB THR A 89 -8.022 -8.577 0.787 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.967 -10.253 -0.866 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.070 -8.196 -1.415 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.352 -6.700 -0.772 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.515 -7.610 -2.052 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.822 -5.553 0.807 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.097 -4.446 1.708 1.00 0.42 C ATOM 1396 C TYR A 90 -8.376 -3.719 1.313 1.00 0.38 C ATOM 1397 O TYR A 90 -8.685 -3.570 0.130 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.915 -3.464 1.746 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.647 -4.045 2.340 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.584 -4.387 3.683 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.520 -4.258 1.558 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.437 -4.926 4.230 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.367 -4.795 2.098 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.331 -5.129 3.436 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.187 -5.667 3.980 1.00 0.87 O ATOM 0 H TYR A 90 -7.045 -5.374 -0.172 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.235 -4.860 2.707 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.706 -3.124 0.732 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.205 -2.586 2.323 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.448 -4.229 4.312 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.545 -4.000 0.510 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.407 -5.188 5.277 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.498 -4.952 1.476 1.00 0.85 H new ATOM 0 HH TYR A 90 -0.500 -5.746 3.285 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.120 -3.286 2.317 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.324 -2.498 2.112 1.00 0.35 C ATOM 1417 C ILE A 91 -10.057 -1.055 2.517 1.00 0.36 C ATOM 1418 O ILE A 91 -9.190 -0.793 3.356 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.537 -3.082 2.893 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.669 -3.372 1.921 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.027 -2.132 3.982 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -13.873 -4.034 2.558 1.00 1.55 C ATOM 0 H ILE A 91 -8.906 -3.471 3.297 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.585 -2.533 1.054 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.211 -4.001 3.380 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -12.984 -2.437 1.457 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.294 -4.013 1.123 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.874 -2.580 4.501 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.222 -1.947 4.693 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.336 -1.189 3.530 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -14.636 -4.208 1.800 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -13.575 -4.986 2.997 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -14.276 -3.385 3.336 1.00 1.55 H new ATOM 1434 N SER A 92 -10.795 -0.129 1.938 1.00 0.36 N ATOM 1435 CA SER A 92 -10.563 1.272 2.178 1.00 0.40 C ATOM 1436 C SER A 92 -11.358 1.693 3.384 1.00 0.43 C ATOM 1437 O SER A 92 -12.569 1.847 3.338 1.00 0.53 O ATOM 1438 CB SER A 92 -10.953 2.085 0.954 1.00 0.47 C ATOM 1439 OG SER A 92 -12.213 1.695 0.460 1.00 1.33 O ATOM 0 H SER A 92 -11.562 -0.328 1.296 1.00 0.36 H new ATOM 0 HA SER A 92 -9.504 1.449 2.368 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.972 3.144 1.210 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.200 1.959 0.176 1.00 0.47 H new ATOM 0 HG SER A 92 -12.729 2.491 0.215 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.649 1.827 4.483 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.262 2.064 5.771 1.00 0.54 C ATOM 1447 C LYS A 93 -11.792 3.498 5.878 1.00 0.57 C ATOM 1448 O LYS A 93 -12.483 3.845 6.836 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.209 1.776 6.841 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.742 1.183 8.126 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.664 0.004 7.874 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.884 -0.822 9.137 1.00 1.20 C ATOM 1453 NZ LYS A 93 -10.664 -1.561 9.533 1.00 1.58 N ATOM 0 H LYS A 93 -9.631 1.775 4.509 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.123 1.409 5.907 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.468 1.093 6.425 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -9.690 2.705 7.076 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -9.908 0.863 8.750 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -11.280 1.950 8.683 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -12.624 0.365 7.504 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.240 -0.629 7.095 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -12.191 -0.166 9.951 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -12.698 -1.528 8.972 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -10.779 -1.929 10.499 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.510 -2.353 8.877 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -9.845 -0.921 9.502 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.539 4.296 4.847 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.096 5.642 4.760 1.00 0.67 C ATOM 1469 C LYS A 94 -13.587 5.515 4.488 1.00 0.79 C ATOM 1470 O LYS A 94 -14.418 5.907 5.308 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.385 6.481 3.670 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.782 7.948 3.654 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.387 8.636 4.955 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.841 10.086 4.996 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.956 10.976 4.203 1.00 2.32 N ATOM 0 H LYS A 94 -10.950 4.034 4.057 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.937 6.172 5.699 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.307 6.410 3.818 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.602 6.047 2.694 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.302 8.449 2.813 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.858 8.035 3.505 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.822 8.097 5.796 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -10.304 8.592 5.074 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -12.860 10.156 4.614 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -11.864 10.428 6.031 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -11.522 11.737 3.776 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -10.232 11.389 4.825 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -10.493 10.426 3.452 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.923 4.969 3.334 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.283 4.512 3.076 1.00 0.96 C ATOM 1491 C HIS A 95 -15.447 3.037 3.411 1.00 1.01 C ATOM 1492 O HIS A 95 -16.044 2.287 2.634 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.697 4.765 1.629 1.00 1.06 C ATOM 1494 CG HIS A 95 -16.082 6.179 1.366 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -15.169 7.199 1.295 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -17.296 6.749 1.179 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.795 8.334 1.083 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -17.087 8.091 1.006 1.00 2.32 N ATOM 0 H HIS A 95 -13.276 4.830 2.558 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.938 5.091 3.727 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.874 4.491 0.969 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.535 4.115 1.379 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -18.249 6.241 1.168 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -15.329 9.303 0.988 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -17.813 8.789 0.844 1.00 2.32 H new ATOM 1507 N ALA A 96 -14.932 2.633 4.569 1.00 0.94 N ATOM 1508 CA ALA A 96 -14.978 1.235 4.996 1.00 1.02 C ATOM 1509 C ALA A 96 -16.363 0.630 4.821 1.00 1.03 C ATOM 1510 O ALA A 96 -16.528 -0.412 4.180 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.552 1.121 6.448 1.00 1.18 C ATOM 0 H ALA A 96 -14.475 3.258 5.233 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.288 0.678 4.362 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.589 0.076 6.757 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.535 1.496 6.559 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.226 1.708 7.072 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.364 1.312 5.353 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.706 0.764 5.411 1.00 1.16 C ATOM 1519 C GLU A 97 -19.382 0.806 4.040 1.00 1.07 C ATOM 1520 O GLU A 97 -20.457 0.239 3.853 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.536 1.525 6.445 1.00 1.30 C ATOM 1522 CG GLU A 97 -20.691 0.717 7.011 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.225 -0.578 7.641 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -19.650 -0.532 8.750 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -20.433 -1.652 7.032 1.00 3.42 O ATOM 0 H GLU A 97 -17.271 2.247 5.751 1.00 1.07 H new ATOM 0 HA GLU A 97 -18.637 -0.281 5.712 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -18.886 1.836 7.263 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.929 2.433 5.987 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -21.219 1.313 7.756 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -21.403 0.497 6.216 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.749 1.464 3.075 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.309 1.529 1.730 1.00 0.88 C ATOM 1534 C LYS A 98 -18.736 0.417 0.860 1.00 0.83 C ATOM 1535 O LYS A 98 -19.102 0.287 -0.309 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.044 2.895 1.080 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.916 4.029 1.612 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.622 4.346 3.069 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.465 5.504 3.580 1.00 2.14 C ATOM 1540 NZ LYS A 98 -20.195 5.787 5.014 1.00 2.65 N ATOM 0 H LYS A 98 -17.862 1.953 3.195 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.388 1.396 1.813 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -17.997 3.158 1.230 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -19.200 2.808 0.005 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.755 4.922 1.008 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.966 3.757 1.506 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -19.812 3.462 3.678 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -18.565 4.589 3.181 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -20.257 6.395 2.987 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -21.522 5.272 3.447 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -20.787 6.582 5.328 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -20.417 4.944 5.582 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -19.192 6.033 5.136 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.808 -0.355 1.431 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.383 -1.639 0.863 1.00 0.84 C ATOM 1556 C ASN A 99 -16.392 -1.469 -0.295 1.00 0.68 C ATOM 1557 O ASN A 99 -16.228 -2.375 -1.114 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.592 -2.477 0.417 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.251 -3.941 0.181 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -17.342 -4.484 0.976 1.00 1.96 O flip ATOM 1561 ND2 ASN A 99 -18.821 -4.587 -0.701 1.00 2.00 N flip ATOM 0 H ASN A 99 -17.330 -0.109 2.298 1.00 0.82 H new ATOM 0 HA ASN A 99 -16.863 -2.172 1.659 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.372 -2.410 1.175 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -19.001 -2.053 -0.500 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -19.516 -4.136 -1.295 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -18.597 -5.573 -0.836 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.741 -0.320 -0.392 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.720 -0.144 -1.408 1.00 0.44 C ATOM 1570 C TRP A 100 -13.450 -0.879 -0.986 1.00 0.41 C ATOM 1571 O TRP A 100 -13.163 -1.001 0.205 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.409 1.334 -1.622 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.521 2.159 -2.214 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.847 1.851 -2.334 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.368 3.464 -2.756 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.522 2.903 -2.920 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.624 3.910 -3.186 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.272 4.289 -2.908 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.802 5.172 -3.766 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.437 5.532 -3.477 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.688 5.969 -3.901 1.00 1.01 C ATOM 0 H TRP A 100 -15.898 0.489 0.209 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.093 -0.555 -2.346 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.130 1.770 -0.663 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.538 1.412 -2.273 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.299 0.923 -2.018 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.521 2.929 -3.122 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.295 3.963 -2.584 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.775 5.507 -4.094 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.580 6.179 -3.596 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.787 6.949 -4.343 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.706 -1.384 -1.955 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.452 -2.074 -1.670 1.00 0.51 C ATOM 1594 C PHE A 101 -10.304 -1.157 -2.041 1.00 0.55 C ATOM 1595 O PHE A 101 -10.438 -0.363 -2.957 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.318 -3.372 -2.476 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.387 -4.405 -2.239 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.707 -4.162 -2.582 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.055 -5.644 -1.716 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.674 -5.131 -2.410 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.021 -6.616 -1.532 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.332 -6.359 -1.884 1.00 0.77 C ATOM 0 H PHE A 101 -12.945 -1.331 -2.945 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.436 -2.328 -0.610 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.312 -3.120 -3.536 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.350 -3.820 -2.249 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.983 -3.201 -2.990 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.030 -5.853 -1.449 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.698 -4.928 -2.687 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.751 -7.574 -1.114 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.088 -7.118 -1.747 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.195 -1.218 -1.331 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.024 -0.485 -1.765 1.00 0.55 C ATOM 1614 C VAL A 102 -7.054 -1.395 -2.495 1.00 0.50 C ATOM 1615 O VAL A 102 -6.488 -2.312 -1.910 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.285 0.218 -0.612 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.924 1.548 -0.300 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.239 -0.645 0.631 1.00 1.27 C ATOM 0 H VAL A 102 -9.080 -1.754 -0.471 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.393 0.287 -2.440 1.00 0.55 H new ATOM 0 HB VAL A 102 -6.259 0.388 -0.940 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -7.386 2.027 0.518 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -7.886 2.186 -1.183 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -8.963 1.393 -0.009 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -6.710 -0.115 1.423 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -8.255 -0.866 0.959 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.719 -1.577 0.408 1.00 1.27 H new ATOM 1628 N GLY A 103 -6.856 -1.112 -3.773 1.00 0.54 N ATOM 1629 CA GLY A 103 -5.894 -1.844 -4.563 1.00 0.61 C ATOM 1630 C GLY A 103 -4.998 -0.931 -5.362 1.00 0.54 C ATOM 1631 O GLY A 103 -5.384 0.154 -5.813 1.00 0.66 O ATOM 0 H GLY A 103 -7.352 -0.379 -4.280 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.284 -2.464 -3.906 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.420 -2.517 -5.240 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.816 -1.387 -5.601 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.814 -0.532 -6.175 1.00 0.50 C ATOM 1637 C LEU A 104 -2.787 -0.756 -7.642 1.00 0.59 C ATOM 1638 O LEU A 104 -3.140 -1.828 -8.102 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.418 -0.901 -5.684 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.294 -1.364 -4.249 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.069 -2.243 -4.122 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -1.186 -0.176 -3.319 1.00 1.27 C ATOM 0 H LEU A 104 -3.513 -2.342 -5.412 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.059 0.493 -5.898 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.030 -1.689 -6.329 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -0.772 -0.033 -5.817 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.182 -1.931 -3.971 1.00 1.07 H new ATOM 0 HD11 LEU A 104 0.030 -2.582 -3.091 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -0.171 -3.106 -4.780 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.817 -1.675 -4.403 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -1.097 -0.526 -2.290 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.305 0.411 -3.580 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -2.077 0.444 -3.416 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.369 0.217 -8.396 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.690 -0.187 -9.590 1.00 0.54 C ATOM 1656 C LYS A 105 -0.247 0.165 -9.405 1.00 0.49 C ATOM 1657 O LYS A 105 0.209 1.183 -9.850 1.00 0.55 O ATOM 1658 CB LYS A 105 -2.302 0.497 -10.822 1.00 0.70 C ATOM 1659 CG LYS A 105 -2.082 -0.254 -12.126 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.154 0.497 -13.064 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.149 -0.124 -14.452 1.00 1.97 C ATOM 1662 NZ LYS A 105 -0.269 0.613 -15.395 1.00 2.09 N ATOM 0 H LYS A 105 -2.473 1.218 -8.228 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.792 -1.258 -9.763 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.373 0.618 -10.662 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.879 1.497 -10.916 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.663 -1.237 -11.912 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -3.041 -0.416 -12.618 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.467 1.539 -13.131 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.142 0.493 -12.658 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -0.817 -1.160 -14.383 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -2.166 -0.140 -14.844 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -0.298 0.154 -16.328 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -0.599 1.595 -15.483 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 0.707 0.607 -15.036 1.00 2.09 H new ATOM 1676 N LYS A 106 0.515 -0.780 -8.894 1.00 0.46 N ATOM 1677 CA LYS A 106 1.908 -0.523 -8.641 1.00 0.44 C ATOM 1678 C LYS A 106 2.640 -0.537 -9.950 1.00 0.44 C ATOM 1679 O LYS A 106 3.719 -0.001 -10.072 1.00 0.46 O ATOM 1680 CB LYS A 106 2.524 -1.537 -7.667 1.00 0.51 C ATOM 1681 CG LYS A 106 2.749 -2.920 -8.279 1.00 0.81 C ATOM 1682 CD LYS A 106 1.440 -3.592 -8.677 1.00 1.11 C ATOM 1683 CE LYS A 106 1.665 -4.712 -9.680 1.00 1.02 C ATOM 1684 NZ LYS A 106 0.383 -5.317 -10.139 1.00 1.57 N ATOM 0 H LYS A 106 0.195 -1.717 -8.651 1.00 0.46 H new ATOM 0 HA LYS A 106 1.999 0.453 -8.165 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.477 -1.149 -7.308 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.872 -1.635 -6.799 1.00 0.51 H new ATOM 0 HG2 LYS A 106 3.390 -2.828 -9.156 1.00 0.81 H new ATOM 0 HG3 LYS A 106 3.277 -3.551 -7.564 1.00 0.81 H new ATOM 0 HD2 LYS A 106 0.951 -3.992 -7.788 1.00 1.11 H new ATOM 0 HD3 LYS A 106 0.766 -2.850 -9.105 1.00 1.11 H new ATOM 0 HE2 LYS A 106 2.211 -4.324 -10.540 1.00 1.02 H new ATOM 0 HE3 LYS A 106 2.288 -5.483 -9.228 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 0.580 -6.197 -10.656 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -0.217 -5.526 -9.315 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -0.111 -4.650 -10.766 1.00 1.57 H new ATOM 1698 N ASN A 107 2.051 -1.142 -10.964 1.00 0.50 N ATOM 1699 CA ASN A 107 2.749 -1.196 -12.222 1.00 0.56 C ATOM 1700 C ASN A 107 2.745 0.209 -12.828 1.00 0.60 C ATOM 1701 O ASN A 107 3.473 0.511 -13.770 1.00 0.70 O ATOM 1702 CB ASN A 107 2.066 -2.206 -13.147 1.00 0.67 C ATOM 1703 CG ASN A 107 2.724 -2.307 -14.513 1.00 1.47 C ATOM 1704 OD1 ASN A 107 2.368 -1.580 -15.437 1.00 2.40 O ATOM 1705 ND2 ASN A 107 3.680 -3.210 -14.650 1.00 1.84 N ATOM 0 H ASN A 107 1.132 -1.583 -10.942 1.00 0.50 H new ATOM 0 HA ASN A 107 3.780 -1.522 -12.082 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.075 -3.187 -12.673 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.021 -1.924 -13.274 1.00 0.67 H new ATOM 0 HD21 ASN A 107 4.151 -3.322 -15.548 1.00 1.84 H new ATOM 0 HD22 ASN A 107 3.947 -3.795 -13.858 1.00 1.84 H new ATOM 1712 N GLY A 108 1.923 1.066 -12.227 1.00 0.56 N ATOM 1713 CA GLY A 108 2.014 2.494 -12.410 1.00 0.65 C ATOM 1714 C GLY A 108 2.201 3.181 -11.075 1.00 0.60 C ATOM 1715 O GLY A 108 3.304 3.321 -10.554 1.00 0.71 O ATOM 0 H GLY A 108 1.174 0.777 -11.598 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.849 2.731 -13.069 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.110 2.864 -12.894 1.00 0.65 H new ATOM 1719 N SER A 109 1.048 3.466 -10.492 1.00 0.53 N ATOM 1720 CA SER A 109 0.892 4.152 -9.218 1.00 0.64 C ATOM 1721 C SER A 109 -0.428 3.673 -8.590 1.00 0.54 C ATOM 1722 O SER A 109 -1.324 3.200 -9.301 1.00 0.54 O ATOM 1723 CB SER A 109 0.882 5.669 -9.433 1.00 0.93 C ATOM 1724 OG SER A 109 0.022 6.037 -10.503 1.00 1.50 O ATOM 0 H SER A 109 0.154 3.214 -10.913 1.00 0.53 H new ATOM 0 HA SER A 109 1.724 3.924 -8.551 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.559 6.165 -8.518 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.894 6.015 -9.643 1.00 0.93 H new ATOM 0 HG SER A 109 0.036 7.011 -10.614 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.587 3.756 -7.282 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.755 3.146 -6.692 1.00 0.82 C ATOM 1732 C CYS A 110 -2.900 4.134 -6.578 1.00 0.66 C ATOM 1733 O CYS A 110 -2.788 5.144 -5.920 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.417 2.541 -5.334 1.00 1.35 C ATOM 1735 SG CYS A 110 -0.914 3.727 -4.076 1.00 2.32 S ATOM 0 H CYS A 110 0.050 4.220 -6.634 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.082 2.343 -7.353 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -2.287 1.995 -4.970 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.616 1.813 -5.466 1.00 1.35 H new ATOM 0 HG CYS A 110 -1.405 4.896 -4.361 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.974 3.850 -7.297 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.203 4.625 -7.231 1.00 1.00 C ATOM 1743 C LYS A 111 -6.296 3.675 -6.809 1.00 0.75 C ATOM 1744 O LYS A 111 -6.603 2.758 -7.573 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.552 5.249 -8.595 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.472 5.109 -9.665 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.433 3.709 -10.280 1.00 2.18 C ATOM 1748 CE LYS A 111 -5.452 3.530 -11.406 1.00 3.01 C ATOM 1749 NZ LYS A 111 -6.865 3.594 -10.936 1.00 3.59 N ATOM 0 H LYS A 111 -4.018 3.067 -7.949 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.088 5.447 -6.524 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.469 4.789 -8.964 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.763 6.309 -8.449 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -4.647 5.843 -10.452 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -3.500 5.337 -9.227 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.433 3.514 -10.667 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -4.624 2.970 -9.502 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -5.291 4.302 -12.159 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -5.281 2.570 -11.893 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -7.479 3.099 -11.614 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -6.942 3.140 -10.003 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -7.162 4.588 -10.863 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.899 3.830 -5.644 1.00 0.95 N ATOM 1764 CA ARG A 112 -7.845 2.806 -5.259 1.00 1.36 C ATOM 1765 C ARG A 112 -9.167 3.348 -4.719 1.00 1.14 C ATOM 1766 O ARG A 112 -9.340 3.448 -3.518 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.171 1.941 -4.186 1.00 2.63 C ATOM 1768 CG ARG A 112 -5.678 2.243 -3.984 1.00 3.07 C ATOM 1769 CD ARG A 112 -5.086 1.378 -2.876 1.00 4.09 C ATOM 1770 NE ARG A 112 -3.786 1.862 -2.415 1.00 4.81 N ATOM 1771 CZ ARG A 112 -3.181 1.432 -1.305 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -3.713 0.440 -0.593 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -2.031 1.979 -0.921 1.00 6.59 N ATOM 0 H ARG A 112 -6.764 4.600 -4.989 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.104 2.239 -6.153 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.691 2.085 -3.239 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -7.285 0.891 -4.456 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.139 2.066 -4.915 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.548 3.296 -3.736 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -5.778 1.350 -2.034 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -4.981 0.355 -3.237 1.00 4.09 H new ATOM 0 HE ARG A 112 -3.312 2.571 -2.975 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -4.585 0.006 -0.895 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -3.248 0.114 0.254 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -1.612 2.726 -1.474 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -1.568 1.651 -0.073 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.096 3.683 -5.616 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.507 3.721 -5.272 1.00 0.76 C ATOM 1789 C GLY A 113 -12.386 2.791 -6.108 1.00 0.77 C ATOM 1790 O GLY A 113 -12.636 1.641 -5.747 1.00 0.80 O ATOM 0 H GLY A 113 -9.891 3.931 -6.584 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.619 3.459 -4.220 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.869 4.743 -5.386 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.868 3.289 -7.263 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.959 2.659 -8.015 1.00 1.07 C ATOM 1796 C PRO A 114 -13.560 1.516 -8.958 1.00 0.90 C ATOM 1797 O PRO A 114 -14.402 1.029 -9.708 1.00 1.05 O ATOM 1798 CB PRO A 114 -14.520 3.831 -8.816 1.00 1.40 C ATOM 1799 CG PRO A 114 -13.344 4.707 -9.078 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.400 4.526 -7.916 1.00 1.03 C ATOM 0 HA PRO A 114 -14.652 2.166 -7.333 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -14.977 3.493 -9.746 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -15.291 4.360 -8.256 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.860 4.434 -10.016 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.650 5.749 -9.169 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.367 4.433 -8.252 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.439 5.376 -7.235 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.305 1.076 -8.943 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.925 -0.096 -9.699 1.00 0.74 C ATOM 1810 C ARG A 115 -11.218 -1.053 -8.776 1.00 0.69 C ATOM 1811 O ARG A 115 -10.738 -2.107 -9.190 1.00 0.86 O ATOM 1812 CB ARG A 115 -11.041 0.244 -10.910 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.144 1.463 -10.738 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.854 2.742 -11.168 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.376 2.647 -12.534 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.791 3.692 -13.253 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -11.720 4.921 -12.758 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -12.274 3.510 -14.476 1.00 2.62 N ATOM 0 H ARG A 115 -11.547 1.513 -8.419 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.828 -0.554 -10.102 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -10.414 -0.619 -11.136 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -11.684 0.406 -11.775 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.839 1.548 -9.695 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -9.236 1.334 -11.326 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.674 2.950 -10.480 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -10.161 3.581 -11.102 1.00 1.63 H new ATOM 0 HE ARG A 115 -11.425 1.723 -12.963 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -11.346 5.073 -11.821 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -12.039 5.714 -13.314 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -12.329 2.570 -14.868 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.591 4.310 -15.024 1.00 2.62 H new ATOM 1832 N THR A 116 -11.172 -0.679 -7.506 1.00 0.61 N ATOM 1833 CA THR A 116 -10.529 -1.485 -6.520 1.00 0.75 C ATOM 1834 C THR A 116 -11.562 -2.288 -5.732 1.00 0.85 C ATOM 1835 O THR A 116 -12.374 -1.766 -4.967 1.00 1.23 O ATOM 1836 CB THR A 116 -9.625 -0.615 -5.656 1.00 0.93 C ATOM 1837 OG1 THR A 116 -10.303 0.583 -5.297 1.00 0.93 O ATOM 1838 CG2 THR A 116 -8.374 -0.259 -6.434 1.00 1.13 C ATOM 0 H THR A 116 -11.579 0.185 -7.148 1.00 0.61 H new ATOM 0 HA THR A 116 -9.883 -2.224 -6.994 1.00 0.75 H new ATOM 0 HB THR A 116 -9.359 -1.166 -4.754 1.00 0.93 H new ATOM 0 HG1 THR A 116 -10.806 0.438 -4.469 1.00 0.93 H new ATOM 0 HG21 THR A 116 -7.726 0.364 -5.817 1.00 1.13 H new ATOM 0 HG22 THR A 116 -7.845 -1.171 -6.710 1.00 1.13 H new ATOM 0 HG23 THR A 116 -8.650 0.287 -7.336 1.00 1.13 H new ATOM 1846 N HIS A 117 -11.492 -3.572 -6.007 1.00 0.70 N ATOM 1847 CA HIS A 117 -12.514 -4.580 -5.782 1.00 0.77 C ATOM 1848 C HIS A 117 -12.159 -5.538 -6.881 1.00 0.68 C ATOM 1849 O HIS A 117 -11.134 -5.287 -7.524 1.00 0.61 O ATOM 1850 CB HIS A 117 -13.972 -4.065 -5.901 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.360 -3.450 -7.219 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -14.627 -4.012 -8.422 1.00 1.92 N flip ATOM 1853 CD2 HIS A 117 -14.561 -2.098 -7.383 1.00 2.10 C flip ATOM 1854 CE1 HIS A 117 -14.979 -3.001 -9.276 1.00 2.75 C flip ATOM 1855 NE2 HIS A 117 -14.933 -1.857 -8.624 1.00 2.85 N flip ATOM 0 H HIS A 117 -10.654 -3.973 -6.427 1.00 0.70 H new ATOM 0 HA HIS A 117 -12.514 -4.986 -4.771 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -14.646 -4.898 -5.701 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.138 -3.326 -5.117 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -14.434 -1.351 -6.614 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -15.250 -3.122 -10.314 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -15.149 -0.940 -9.014 1.00 2.85 H new ATOM 1864 N TYR A 118 -12.873 -6.597 -7.171 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.391 -7.347 -8.302 1.00 0.69 C ATOM 1866 C TYR A 118 -12.943 -6.699 -9.557 1.00 0.68 C ATOM 1867 O TYR A 118 -13.935 -7.115 -10.155 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.804 -8.815 -8.206 1.00 0.78 C ATOM 1869 CG TYR A 118 -11.911 -9.637 -7.302 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -12.097 -9.632 -5.926 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -10.889 -10.419 -7.822 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -11.289 -10.381 -5.092 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -10.076 -11.172 -6.995 1.00 2.72 C ATOM 1874 CZ TYR A 118 -10.258 -11.146 -5.648 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.472 -11.901 -4.806 1.00 4.11 O ATOM 0 H TYR A 118 -13.709 -6.936 -6.695 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.301 -7.333 -8.325 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.829 -8.872 -7.840 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -12.797 -9.252 -9.205 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -12.887 -9.032 -5.500 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -10.726 -10.440 -8.889 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -11.451 -10.376 -4.024 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -9.294 -11.783 -7.421 1.00 2.72 H new ATOM 0 HH TYR A 118 -8.798 -12.381 -5.331 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.246 -5.621 -9.893 1.00 0.62 N ATOM 1886 CA GLY A 119 -12.261 -5.006 -11.186 1.00 0.65 C ATOM 1887 C GLY A 119 -10.920 -5.226 -11.841 1.00 0.65 C ATOM 1888 O GLY A 119 -10.793 -5.397 -13.050 1.00 0.73 O ATOM 0 H GLY A 119 -11.633 -5.142 -9.234 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -13.055 -5.433 -11.798 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.467 -3.939 -11.095 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.917 -5.221 -10.967 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.517 -5.266 -11.325 1.00 0.64 C ATOM 1894 C GLN A 120 -7.823 -6.363 -10.504 1.00 0.62 C ATOM 1895 O GLN A 120 -8.163 -6.572 -9.344 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.900 -3.880 -11.032 1.00 0.67 C ATOM 1897 CG GLN A 120 -8.049 -2.879 -12.167 1.00 1.05 C ATOM 1898 CD GLN A 120 -7.175 -3.205 -13.361 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -7.578 -3.943 -14.256 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -5.974 -2.647 -13.391 1.00 2.13 N ATOM 0 H GLN A 120 -10.070 -5.184 -9.959 1.00 0.60 H new ATOM 0 HA GLN A 120 -8.389 -5.499 -12.382 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.366 -3.469 -10.137 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.840 -4.006 -10.810 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -9.092 -2.850 -12.484 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -7.799 -1.883 -11.801 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -5.675 -2.039 -12.628 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -5.348 -2.825 -14.177 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.865 -7.069 -11.098 1.00 0.75 N ATOM 1910 CA LYS A 121 -6.136 -8.128 -10.382 1.00 0.78 C ATOM 1911 C LYS A 121 -4.959 -7.519 -9.655 1.00 0.70 C ATOM 1912 O LYS A 121 -4.160 -8.208 -9.020 1.00 0.75 O ATOM 1913 CB LYS A 121 -5.656 -9.213 -11.351 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.532 -10.595 -10.724 1.00 1.43 C ATOM 1915 CD LYS A 121 -5.207 -11.644 -11.774 1.00 1.94 C ATOM 1916 CE LYS A 121 -5.254 -13.053 -11.202 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.188 -13.296 -10.196 1.00 2.85 N ATOM 0 H LYS A 121 -6.572 -6.934 -12.066 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.809 -8.595 -9.663 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -6.349 -9.268 -12.191 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.687 -8.921 -11.756 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -4.752 -10.584 -9.963 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -6.464 -10.855 -10.222 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -5.915 -11.563 -12.599 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -4.216 -11.452 -12.185 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -6.228 -13.223 -10.743 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -5.154 -13.774 -12.013 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -4.254 -14.275 -9.850 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -3.257 -13.145 -10.634 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -4.307 -12.639 -9.399 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.875 -6.208 -9.750 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.890 -5.444 -9.024 1.00 0.72 C ATOM 1933 C ALA A 122 -4.341 -5.257 -7.576 1.00 0.54 C ATOM 1934 O ALA A 122 -3.686 -4.571 -6.788 1.00 0.59 O ATOM 1935 CB ALA A 122 -3.666 -4.116 -9.720 1.00 0.92 C ATOM 0 H ALA A 122 -5.491 -5.644 -10.335 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.941 -5.980 -9.007 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -2.922 -3.539 -9.171 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.312 -4.293 -10.736 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -4.603 -3.560 -9.754 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.483 -5.865 -7.249 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.007 -5.854 -5.890 1.00 0.44 C ATOM 1943 C ILE A 123 -5.437 -7.034 -5.098 1.00 0.40 C ATOM 1944 O ILE A 123 -5.737 -7.219 -3.920 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.555 -5.928 -5.889 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.140 -4.980 -6.937 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.121 -5.595 -4.514 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -7.702 -3.546 -6.786 1.00 1.37 C ATOM 0 H ILE A 123 -6.063 -6.374 -7.916 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.705 -4.918 -5.420 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.838 -6.951 -6.139 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.856 -5.332 -7.928 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.228 -5.023 -6.883 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.209 -5.655 -4.544 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.738 -6.306 -3.781 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.821 -4.586 -4.232 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -8.161 -2.941 -7.568 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.010 -3.172 -5.810 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -6.617 -3.486 -6.871 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.613 -7.836 -5.758 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.832 -8.851 -5.058 1.00 0.43 C ATOM 1962 C LEU A 124 -2.436 -8.311 -4.754 1.00 0.37 C ATOM 1963 O LEU A 124 -1.711 -7.897 -5.666 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.736 -10.147 -5.878 1.00 0.63 C ATOM 1965 CG LEU A 124 -5.019 -10.988 -5.956 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.579 -11.248 -4.564 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -6.065 -10.319 -6.840 1.00 1.83 C ATOM 0 H LEU A 124 -4.467 -7.806 -6.767 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.339 -9.087 -4.123 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.431 -9.890 -6.892 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.945 -10.765 -5.453 1.00 0.63 H new ATOM 0 HG LEU A 124 -4.762 -11.946 -6.408 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.487 -11.845 -4.643 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.841 -11.787 -3.970 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.810 -10.298 -4.082 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -6.961 -10.938 -6.875 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -6.316 -9.341 -6.430 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.667 -10.199 -7.848 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.068 -8.277 -3.475 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.776 -7.704 -3.092 1.00 0.45 C ATOM 1981 C PHE A 125 0.094 -8.688 -2.313 1.00 0.36 C ATOM 1982 O PHE A 125 -0.399 -9.681 -1.773 1.00 0.51 O ATOM 1983 CB PHE A 125 -0.969 -6.458 -2.241 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.285 -5.765 -2.418 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -2.539 -5.009 -3.545 1.00 1.00 C ATOM 1986 CD2 PHE A 125 -3.266 -5.871 -1.449 1.00 1.05 C ATOM 1987 CE1 PHE A 125 -3.751 -4.372 -3.702 1.00 1.05 C ATOM 1988 CE2 PHE A 125 -4.478 -5.235 -1.600 1.00 1.18 C ATOM 1989 CZ PHE A 125 -4.720 -4.486 -2.729 1.00 0.85 C ATOM 0 H PHE A 125 -2.630 -8.630 -2.701 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.269 -7.454 -4.024 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -0.859 -6.733 -1.192 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.171 -5.752 -2.471 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -1.782 -4.916 -4.310 1.00 1.00 H new ATOM 0 HD2 PHE A 125 -3.079 -6.460 -0.563 1.00 1.05 H new ATOM 0 HE1 PHE A 125 -3.941 -3.784 -4.587 1.00 1.05 H new ATOM 0 HE2 PHE A 125 -5.236 -5.324 -0.835 1.00 1.18 H new ATOM 0 HZ PHE A 125 -5.670 -3.987 -2.852 1.00 0.85 H new ATOM 1999 N LEU A 126 1.403 -8.412 -2.291 1.00 0.36 N ATOM 2000 CA LEU A 126 2.353 -9.174 -1.466 1.00 0.49 C ATOM 2001 C LEU A 126 3.376 -8.227 -0.826 1.00 0.48 C ATOM 2002 O LEU A 126 4.206 -7.654 -1.534 1.00 0.49 O ATOM 2003 CB LEU A 126 3.080 -10.207 -2.320 1.00 0.68 C ATOM 2004 CG LEU A 126 4.045 -11.120 -1.558 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.289 -11.994 -0.570 1.00 1.98 C ATOM 2006 CD2 LEU A 126 4.848 -11.975 -2.525 1.00 1.96 C ATOM 0 H LEU A 126 1.832 -7.664 -2.836 1.00 0.36 H new ATOM 0 HA LEU A 126 1.797 -9.685 -0.680 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.338 -10.828 -2.822 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.637 -9.685 -3.098 1.00 0.68 H new ATOM 0 HG LEU A 126 4.739 -10.493 -0.998 1.00 1.22 H new ATOM 0 HD11 LEU A 126 3.993 -12.635 -0.039 1.00 1.98 H new ATOM 0 HD12 LEU A 126 2.762 -11.363 0.145 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.569 -12.612 -1.107 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.528 -12.617 -1.965 1.00 1.96 H new ATOM 0 HD22 LEU A 126 4.170 -12.592 -3.115 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.423 -11.330 -3.190 1.00 1.96 H new ATOM 2018 N PRO A 127 3.387 -8.081 0.506 1.00 0.54 N ATOM 2019 CA PRO A 127 4.180 -7.066 1.180 1.00 0.55 C ATOM 2020 C PRO A 127 5.434 -7.653 1.816 1.00 0.53 C ATOM 2021 O PRO A 127 5.375 -8.657 2.527 1.00 0.66 O ATOM 2022 CB PRO A 127 3.218 -6.607 2.276 1.00 0.72 C ATOM 2023 CG PRO A 127 2.324 -7.787 2.550 1.00 0.81 C ATOM 2024 CD PRO A 127 2.587 -8.819 1.473 1.00 0.68 C ATOM 0 HA PRO A 127 4.532 -6.282 0.509 1.00 0.55 H new ATOM 0 HB2 PRO A 127 3.760 -6.309 3.174 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.638 -5.743 1.952 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.529 -8.202 3.537 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.277 -7.484 2.543 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.122 -9.684 1.864 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.661 -9.189 1.033 1.00 0.68 H new ATOM 2032 N LEU A 128 6.571 -7.026 1.578 1.00 0.44 N ATOM 2033 CA LEU A 128 7.836 -7.635 1.988 1.00 0.46 C ATOM 2034 C LEU A 128 8.735 -6.650 2.719 1.00 0.39 C ATOM 2035 O LEU A 128 9.062 -5.603 2.190 1.00 0.39 O ATOM 2036 CB LEU A 128 8.576 -8.192 0.765 1.00 0.56 C ATOM 2037 CG LEU A 128 7.843 -9.300 0.002 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.622 -9.695 -1.245 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.623 -10.512 0.898 1.00 1.47 C ATOM 0 H LEU A 128 6.653 -6.120 1.116 1.00 0.44 H new ATOM 0 HA LEU A 128 7.595 -8.444 2.677 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.775 -7.371 0.077 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.543 -8.576 1.090 1.00 0.56 H new ATOM 0 HG LEU A 128 6.870 -8.918 -0.306 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.086 -10.483 -1.774 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.729 -8.828 -1.897 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.609 -10.057 -0.958 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.101 -11.288 0.338 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.586 -10.894 1.236 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.024 -10.222 1.761 1.00 1.47 H new ATOM 2051 N PRO A 129 9.184 -6.989 3.931 1.00 0.41 N ATOM 2052 CA PRO A 129 10.083 -6.126 4.693 1.00 0.40 C ATOM 2053 C PRO A 129 11.526 -6.323 4.243 1.00 0.48 C ATOM 2054 O PRO A 129 11.866 -7.368 3.681 1.00 0.55 O ATOM 2055 CB PRO A 129 9.884 -6.613 6.126 1.00 0.48 C ATOM 2056 CG PRO A 129 9.543 -8.060 5.994 1.00 0.68 C ATOM 2057 CD PRO A 129 8.848 -8.225 4.664 1.00 0.53 C ATOM 0 HA PRO A 129 9.878 -5.063 4.568 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.787 -6.472 6.720 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.086 -6.062 6.623 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.442 -8.675 6.039 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.896 -8.381 6.811 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.201 -9.111 4.136 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.771 -8.336 4.787 1.00 0.53 H new ATOM 2065 N VAL A 130 12.368 -5.315 4.462 1.00 0.56 N ATOM 2066 CA VAL A 130 13.722 -5.342 3.918 1.00 0.76 C ATOM 2067 C VAL A 130 14.499 -6.511 4.492 1.00 0.97 C ATOM 2068 O VAL A 130 14.662 -6.641 5.705 1.00 1.03 O ATOM 2069 CB VAL A 130 14.519 -4.059 4.190 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.698 -3.946 3.234 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.632 -2.823 4.117 1.00 1.36 C ATOM 0 H VAL A 130 12.141 -4.481 5.004 1.00 0.56 H new ATOM 0 HA VAL A 130 13.601 -5.439 2.839 1.00 0.76 H new ATOM 0 HB VAL A 130 14.909 -4.118 5.206 1.00 0.93 H new ATOM 0 HG11 VAL A 130 16.250 -3.030 3.444 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.357 -4.804 3.366 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.333 -3.923 2.207 1.00 1.43 H new ATOM 0 HG21 VAL A 130 14.230 -1.934 4.315 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.191 -2.750 3.123 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.839 -2.900 4.861 1.00 1.36 H new ATOM 2081 N SER A 131 15.025 -7.312 3.598 1.00 1.27 N ATOM 2082 CA SER A 131 15.618 -8.590 3.949 1.00 1.65 C ATOM 2083 C SER A 131 17.060 -8.418 4.418 1.00 1.86 C ATOM 2084 O SER A 131 17.842 -7.689 3.810 1.00 1.88 O ATOM 2085 CB SER A 131 15.552 -9.524 2.741 1.00 2.07 C ATOM 2086 OG SER A 131 14.261 -9.484 2.150 1.00 2.32 O ATOM 0 H SER A 131 15.057 -7.100 2.601 1.00 1.27 H new ATOM 0 HA SER A 131 15.056 -9.025 4.775 1.00 1.65 H new ATOM 0 HB2 SER A 131 16.303 -9.232 2.007 1.00 2.07 H new ATOM 0 HB3 SER A 131 15.786 -10.543 3.049 1.00 2.07 H new ATOM 0 HG SER A 131 14.236 -10.086 1.377 1.00 2.32 H new ATOM 2092 N SER A 132 17.382 -9.041 5.539 1.00 2.21 N ATOM 2093 CA SER A 132 18.737 -9.044 6.062 1.00 2.54 C ATOM 2094 C SER A 132 19.404 -10.389 5.791 1.00 3.02 C ATOM 2095 O SER A 132 18.908 -11.434 6.214 1.00 3.59 O ATOM 2096 CB SER A 132 18.719 -8.763 7.565 1.00 2.98 C ATOM 2097 OG SER A 132 19.998 -8.379 8.033 1.00 2.97 O ATOM 0 H SER A 132 16.713 -9.557 6.111 1.00 2.21 H new ATOM 0 HA SER A 132 19.308 -8.262 5.561 1.00 2.54 H new ATOM 0 HB2 SER A 132 17.999 -7.974 7.781 1.00 2.98 H new ATOM 0 HB3 SER A 132 18.386 -9.653 8.099 1.00 2.98 H new ATOM 0 HG SER A 132 19.955 -8.204 8.996 1.00 2.97 H new ATOM 2103 N ASP A 133 20.505 -10.361 5.064 1.00 3.06 N ATOM 2104 CA ASP A 133 21.262 -11.571 4.792 1.00 3.74 C ATOM 2105 C ASP A 133 22.475 -11.634 5.708 1.00 3.96 C ATOM 2106 O ASP A 133 23.459 -10.921 5.438 1.00 4.33 O ATOM 2107 CB ASP A 133 21.699 -11.625 3.325 1.00 3.99 C ATOM 2108 CG ASP A 133 22.453 -12.899 2.994 1.00 4.66 C ATOM 2109 OD1 ASP A 133 21.841 -13.988 3.025 1.00 5.12 O ATOM 2110 OD2 ASP A 133 23.664 -12.816 2.703 1.00 5.00 O ATOM 2111 OXT ASP A 133 22.425 -12.368 6.715 1.00 4.10 O ATOM 0 H ASP A 133 20.896 -9.514 4.651 1.00 3.06 H new ATOM 0 HA ASP A 133 20.622 -12.432 4.984 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.821 -11.548 2.684 1.00 3.99 H new ATOM 0 HB3 ASP A 133 22.331 -10.764 3.105 1.00 3.99 H new TER 2116 ASP A 133