USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1058 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 88 GLN :FLIP amide:sc= 0.0869 F(o=-2.9!,f=-0.26) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -0.342 X(o=-0.44,f=-0.26) USER MOD Set 2.1: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.22 F(o=-3.4!,f=-1.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.67 K(o=-0.67,f=-2.5!) USER MOD Single : A 11 ASN : amide:sc= -3.73! C(o=-3.7!,f=-5.1!) USER MOD Single : A 16 MET CE :methyl 134:sc= -2.72! (180deg=-5.65!) USER MOD Single : A 18 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.849 USER MOD Single : A 34 TYR OH : rot -119:sc= -0.63 USER MOD Single : A 35 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= -0.927 (180deg=-1.73) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.041) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.972 F(o=-2.2!,f=-0.97) USER MOD Single : A 69 HIS : no HD1:sc= -5! C(o=-5!,f=-6.3!) USER MOD Single : A 70 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-5.3!) USER MOD Single : A 72 ASN :FLIP amide:sc= 0.082 F(o=-0.84,f=0.082) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -140:sc= -8.88! (180deg=-12.5!) USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.501) USER MOD Single : A 80 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-4.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.08 USER MOD Single : A 86 MET CE :methyl -116:sc= -4.12! (180deg=-7.38!) USER MOD Single : A 95 HIS : no HD1:sc= -5.36! C(o=-5.4!,f=-5.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 160:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -147:sc= -0.993 (180deg=-1.63!) USER MOD Single : A 110 LYS NZ :NH3+ -114:sc=-0.00672 (180deg=-1.66!) USER MOD Single : A 111 THR OG1 : rot -150:sc= -1.06 USER MOD Single : A 116 MET CE :methyl 153:sc= -1.3 (180deg=-1.35) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 164:sc= -0.232 (180deg=-0.603) USER MOD Single : A 123 HIS :FLIP no HE2:sc= -22.3! C(o=-26!,f=-22!) USER MOD Single : A 124 LYS NZ :NH3+ -156:sc= 0.093 (180deg=0.012) USER MOD Single : A 126 ASN :FLIP amide:sc= -1.41! C(o=-2.5!,f=-1.4!) USER MOD Single : A 130 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.15) USER MOD Single : A 131 MET CE :methyl -137:sc= 0 (180deg=-0.0503) USER MOD ----------------------------------------------------------------- ATOM 26 N GLU A 3 -7.775 -9.761 -10.698 1.00 0.00 N ATOM 27 CA GLU A 3 -8.055 -9.074 -9.449 1.00 0.00 C ATOM 28 C GLU A 3 -8.349 -7.595 -9.712 1.00 0.00 C ATOM 29 O GLU A 3 -9.041 -6.946 -8.928 1.00 0.00 O ATOM 30 CB GLU A 3 -6.899 -9.236 -8.461 1.00 0.00 C ATOM 31 CG GLU A 3 -6.739 -10.698 -8.039 1.00 0.00 C ATOM 32 CD GLU A 3 -5.263 -11.100 -8.000 1.00 0.00 C ATOM 33 OE1 GLU A 3 -4.650 -10.903 -6.929 1.00 0.00 O ATOM 34 OE2 GLU A 3 -4.782 -11.593 -9.042 1.00 0.00 O ATOM 0 HA GLU A 3 -8.939 -9.526 -8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.974 -8.882 -8.917 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.078 -8.617 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.186 -10.847 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.277 -11.342 -8.735 1.00 0.00 H new ATOM 41 N ILE A 4 -7.807 -7.105 -10.818 1.00 0.00 N ATOM 42 CA ILE A 4 -8.003 -5.715 -11.194 1.00 0.00 C ATOM 43 C ILE A 4 -9.501 -5.424 -11.296 1.00 0.00 C ATOM 44 O ILE A 4 -9.952 -4.337 -10.940 1.00 0.00 O ATOM 45 CB ILE A 4 -7.226 -5.392 -12.471 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.843 -6.048 -12.453 1.00 0.00 C ATOM 47 CG2 ILE A 4 -7.140 -3.880 -12.694 1.00 0.00 C ATOM 48 CD1 ILE A 4 -5.164 -5.856 -11.096 1.00 0.00 C ATOM 0 H ILE A 4 -7.233 -7.645 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.602 -5.053 -10.427 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.771 -5.812 -13.317 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.938 -7.112 -12.669 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.222 -5.618 -13.239 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.582 -3.678 -13.609 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.145 -3.468 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.631 -3.416 -11.849 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.183 -6.331 -11.109 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.048 -4.791 -10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.776 -6.309 -10.316 1.00 0.00 H new ATOM 60 N MET A 5 -10.233 -6.416 -11.785 1.00 0.00 N ATOM 61 CA MET A 5 -11.671 -6.280 -11.937 1.00 0.00 C ATOM 62 C MET A 5 -12.403 -6.721 -10.669 1.00 0.00 C ATOM 63 O MET A 5 -13.630 -6.683 -10.609 1.00 0.00 O ATOM 64 CB MET A 5 -12.142 -7.130 -13.120 1.00 0.00 C ATOM 65 CG MET A 5 -13.248 -6.418 -13.902 1.00 0.00 C ATOM 66 SD MET A 5 -14.687 -7.467 -14.016 1.00 0.00 S ATOM 67 CE MET A 5 -15.506 -6.719 -15.414 1.00 0.00 C ATOM 0 H MET A 5 -9.856 -7.317 -12.081 1.00 0.00 H new ATOM 0 HA MET A 5 -11.899 -5.230 -12.118 1.00 0.00 H new ATOM 0 HB2 MET A 5 -11.300 -7.338 -13.781 1.00 0.00 H new ATOM 0 HB3 MET A 5 -12.508 -8.091 -12.759 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.509 -5.482 -13.409 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.893 -6.164 -14.901 1.00 0.00 H new ATOM 0 HE1 MET A 5 -16.431 -7.256 -15.624 1.00 0.00 H new ATOM 0 HE2 MET A 5 -15.734 -5.677 -15.188 1.00 0.00 H new ATOM 0 HE3 MET A 5 -14.854 -6.766 -16.286 1.00 0.00 H new ATOM 77 N LYS A 6 -11.616 -7.130 -9.684 1.00 0.00 N ATOM 78 CA LYS A 6 -12.173 -7.578 -8.419 1.00 0.00 C ATOM 79 C LYS A 6 -11.608 -6.719 -7.285 1.00 0.00 C ATOM 80 O LYS A 6 -10.452 -6.882 -6.895 1.00 0.00 O ATOM 81 CB LYS A 6 -11.937 -9.079 -8.230 1.00 0.00 C ATOM 82 CG LYS A 6 -13.263 -9.835 -8.136 1.00 0.00 C ATOM 83 CD LYS A 6 -13.028 -11.329 -7.913 1.00 0.00 C ATOM 84 CE LYS A 6 -14.123 -11.931 -7.030 1.00 0.00 C ATOM 85 NZ LYS A 6 -15.237 -12.439 -7.860 1.00 0.00 N ATOM 0 H LYS A 6 -10.598 -7.160 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.255 -7.446 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.352 -9.467 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.353 -9.248 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.859 -9.431 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.836 -9.686 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.006 -11.844 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.055 -11.482 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.710 -12.742 -6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.494 -11.177 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.971 -12.844 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.642 -11.657 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.882 -13.173 -8.505 1.00 0.00 H new ATOM 99 N ASN A 7 -12.449 -5.825 -6.787 1.00 0.00 N ATOM 100 CA ASN A 7 -12.048 -4.941 -5.706 1.00 0.00 C ATOM 101 C ASN A 7 -13.017 -5.106 -4.533 1.00 0.00 C ATOM 102 O ASN A 7 -14.203 -5.361 -4.733 1.00 0.00 O ATOM 103 CB ASN A 7 -12.084 -3.478 -6.149 1.00 0.00 C ATOM 104 CG ASN A 7 -13.526 -2.977 -6.267 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.901 -2.171 -5.278 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -14.248 -3.302 -7.194 1.00 0.00 N flip ATOM 0 H ASN A 7 -13.407 -5.694 -7.112 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.031 -5.203 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.539 -2.864 -5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.579 -3.372 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.896 -3.925 -7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.204 -2.951 -7.243 1.00 0.00 H new ATOM 113 N LEU A 8 -12.475 -4.954 -3.334 1.00 0.00 N ATOM 114 CA LEU A 8 -13.276 -5.082 -2.128 1.00 0.00 C ATOM 115 C LEU A 8 -14.363 -4.006 -2.127 1.00 0.00 C ATOM 116 O LEU A 8 -14.454 -3.210 -3.061 1.00 0.00 O ATOM 117 CB LEU A 8 -12.383 -5.054 -0.885 1.00 0.00 C ATOM 118 CG LEU A 8 -13.015 -5.577 0.406 1.00 0.00 C ATOM 119 CD1 LEU A 8 -12.081 -6.559 1.117 1.00 0.00 C ATOM 120 CD2 LEU A 8 -13.435 -4.422 1.318 1.00 0.00 C ATOM 0 H LEU A 8 -11.490 -4.743 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.781 -6.048 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.488 -5.641 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.059 -4.027 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.919 -6.126 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.555 -6.915 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.876 -7.405 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.146 -6.057 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.881 -4.821 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.560 -3.824 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.163 -3.797 0.801 1.00 0.00 H new ATOM 132 N SER A 9 -15.162 -4.016 -1.069 1.00 0.00 N ATOM 133 CA SER A 9 -16.240 -3.052 -0.935 1.00 0.00 C ATOM 134 C SER A 9 -15.712 -1.639 -1.192 1.00 0.00 C ATOM 135 O SER A 9 -15.683 -1.179 -2.332 1.00 0.00 O ATOM 136 CB SER A 9 -16.884 -3.135 0.449 1.00 0.00 C ATOM 137 OG SER A 9 -17.656 -4.323 0.609 1.00 0.00 O ATOM 0 H SER A 9 -15.083 -4.677 -0.297 1.00 0.00 H new ATOM 0 HA SER A 9 -17.004 -3.288 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.107 -3.102 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 9 -17.521 -2.265 0.605 1.00 0.00 H new ATOM 0 HG SER A 9 -18.049 -4.339 1.507 1.00 0.00 H new ATOM 143 N ASN A 10 -15.307 -0.988 -0.111 1.00 0.00 N ATOM 144 CA ASN A 10 -14.782 0.364 -0.204 1.00 0.00 C ATOM 145 C ASN A 10 -13.352 0.389 0.344 1.00 0.00 C ATOM 146 O ASN A 10 -12.503 1.119 -0.163 1.00 0.00 O ATOM 147 CB ASN A 10 -15.622 1.340 0.622 1.00 0.00 C ATOM 148 CG ASN A 10 -16.793 1.885 -0.197 1.00 0.00 C ATOM 149 OD1 ASN A 10 -16.961 1.580 -1.367 1.00 0.00 O ATOM 150 ND2 ASN A 10 -17.590 2.706 0.478 1.00 0.00 N ATOM 0 H ASN A 10 -15.332 -1.372 0.834 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.807 0.665 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.999 0.837 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.997 2.165 0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.400 3.123 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.392 2.919 1.456 1.00 0.00 H new ATOM 157 N ASN A 11 -13.134 -0.416 1.373 1.00 0.00 N ATOM 158 CA ASN A 11 -11.822 -0.494 1.995 1.00 0.00 C ATOM 159 C ASN A 11 -10.743 -0.413 0.913 1.00 0.00 C ATOM 160 O ASN A 11 -9.644 0.079 1.162 1.00 0.00 O ATOM 161 CB ASN A 11 -11.644 -1.818 2.741 1.00 0.00 C ATOM 162 CG ASN A 11 -10.163 -2.126 2.966 1.00 0.00 C ATOM 163 OD1 ASN A 11 -9.429 -1.364 3.576 1.00 0.00 O ATOM 164 ND2 ASN A 11 -9.765 -3.282 2.442 1.00 0.00 N ATOM 0 H ASN A 11 -13.842 -1.019 1.792 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.734 0.333 2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.159 -1.771 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.104 -2.625 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.794 -3.578 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.431 -3.872 1.944 1.00 0.00 H new ATOM 171 N PHE A 12 -11.095 -0.903 -0.267 1.00 0.00 N ATOM 172 CA PHE A 12 -10.171 -0.892 -1.388 1.00 0.00 C ATOM 173 C PHE A 12 -10.665 0.039 -2.497 1.00 0.00 C ATOM 174 O PHE A 12 -10.091 1.104 -2.719 1.00 0.00 O ATOM 175 CB PHE A 12 -10.109 -2.322 -1.929 1.00 0.00 C ATOM 176 CG PHE A 12 -9.083 -3.211 -1.222 1.00 0.00 C ATOM 177 CD1 PHE A 12 -8.533 -2.811 -0.044 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.720 -4.402 -1.771 1.00 0.00 C ATOM 179 CE1 PHE A 12 -7.581 -3.635 0.612 1.00 0.00 C ATOM 180 CE2 PHE A 12 -7.769 -5.226 -1.116 1.00 0.00 C ATOM 181 CZ PHE A 12 -7.219 -4.826 0.062 1.00 0.00 C ATOM 0 H PHE A 12 -12.008 -1.310 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.194 -0.537 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.095 -2.778 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.873 -2.287 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.821 -1.866 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.156 -4.720 -2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.144 -3.317 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.482 -6.171 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.495 -5.453 0.561 1.00 0.00 H new ATOM 191 N GLY A 13 -11.723 -0.396 -3.163 1.00 0.00 N ATOM 192 CA GLY A 13 -12.302 0.385 -4.243 1.00 0.00 C ATOM 193 C GLY A 13 -12.412 1.860 -3.854 1.00 0.00 C ATOM 194 O GLY A 13 -12.252 2.741 -4.697 1.00 0.00 O ATOM 0 H GLY A 13 -12.196 -1.280 -2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.688 0.286 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.290 -0.005 -4.489 1.00 0.00 H new ATOM 198 N LYS A 14 -12.686 2.084 -2.577 1.00 0.00 N ATOM 199 CA LYS A 14 -12.821 3.437 -2.066 1.00 0.00 C ATOM 200 C LYS A 14 -11.430 4.038 -1.855 1.00 0.00 C ATOM 201 O LYS A 14 -11.132 5.118 -2.367 1.00 0.00 O ATOM 202 CB LYS A 14 -13.693 3.451 -0.809 1.00 0.00 C ATOM 203 CG LYS A 14 -14.293 4.839 -0.573 1.00 0.00 C ATOM 204 CD LYS A 14 -14.657 5.036 0.900 1.00 0.00 C ATOM 205 CE LYS A 14 -13.429 4.863 1.795 1.00 0.00 C ATOM 206 NZ LYS A 14 -13.645 5.518 3.104 1.00 0.00 N ATOM 0 H LYS A 14 -12.818 1.350 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.336 4.068 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.493 2.717 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.097 3.157 0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.580 5.604 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.182 4.965 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.080 6.030 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.425 4.318 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.225 3.802 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.553 5.291 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.802 5.391 3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.817 6.533 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.468 5.091 3.574 1.00 0.00 H new ATOM 220 N ALA A 15 -10.616 3.315 -1.102 1.00 0.00 N ATOM 221 CA ALA A 15 -9.263 3.764 -0.818 1.00 0.00 C ATOM 222 C ALA A 15 -8.527 4.018 -2.135 1.00 0.00 C ATOM 223 O ALA A 15 -7.840 5.029 -2.282 1.00 0.00 O ATOM 224 CB ALA A 15 -8.553 2.726 0.056 1.00 0.00 C ATOM 0 H ALA A 15 -10.866 2.421 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.279 4.702 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.538 3.063 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.099 2.604 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.516 1.772 -0.470 1.00 0.00 H new ATOM 230 N MET A 16 -8.695 3.084 -3.059 1.00 0.00 N ATOM 231 CA MET A 16 -8.056 3.195 -4.360 1.00 0.00 C ATOM 232 C MET A 16 -8.641 4.360 -5.161 1.00 0.00 C ATOM 233 O MET A 16 -7.911 5.070 -5.853 1.00 0.00 O ATOM 234 CB MET A 16 -8.251 1.891 -5.138 1.00 0.00 C ATOM 235 CG MET A 16 -7.641 0.707 -4.385 1.00 0.00 C ATOM 236 SD MET A 16 -5.864 0.877 -4.318 1.00 0.00 S ATOM 237 CE MET A 16 -5.700 1.843 -2.827 1.00 0.00 C ATOM 0 H MET A 16 -9.264 2.247 -2.933 1.00 0.00 H new ATOM 0 HA MET A 16 -6.993 3.382 -4.207 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.315 1.715 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.790 1.978 -6.122 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.048 0.659 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.907 -0.226 -4.881 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.913 1.419 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.445 2.871 -3.086 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.643 1.830 -2.280 1.00 0.00 H new ATOM 247 N ASP A 17 -9.950 4.521 -5.041 1.00 0.00 N ATOM 248 CA ASP A 17 -10.641 5.587 -5.745 1.00 0.00 C ATOM 249 C ASP A 17 -10.256 6.933 -5.128 1.00 0.00 C ATOM 250 O ASP A 17 -10.141 7.934 -5.833 1.00 0.00 O ATOM 251 CB ASP A 17 -12.157 5.431 -5.631 1.00 0.00 C ATOM 252 CG ASP A 17 -12.975 6.504 -6.354 1.00 0.00 C ATOM 253 OD1 ASP A 17 -13.137 6.361 -7.586 1.00 0.00 O ATOM 254 OD2 ASP A 17 -13.419 7.443 -5.660 1.00 0.00 O ATOM 0 H ASP A 17 -10.551 3.930 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.352 5.539 -6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.437 4.455 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.429 5.438 -4.576 1.00 0.00 H new ATOM 259 N GLN A 18 -10.068 6.913 -3.817 1.00 0.00 N ATOM 260 CA GLN A 18 -9.699 8.120 -3.096 1.00 0.00 C ATOM 261 C GLN A 18 -8.354 8.648 -3.599 1.00 0.00 C ATOM 262 O GLN A 18 -8.201 9.847 -3.830 1.00 0.00 O ATOM 263 CB GLN A 18 -9.658 7.866 -1.588 1.00 0.00 C ATOM 264 CG GLN A 18 -10.953 8.333 -0.918 1.00 0.00 C ATOM 265 CD GLN A 18 -10.795 8.387 0.603 1.00 0.00 C ATOM 266 OE1 GLN A 18 -9.700 8.414 1.139 1.00 0.00 O ATOM 267 NE2 GLN A 18 -11.947 8.400 1.267 1.00 0.00 N ATOM 0 H GLN A 18 -10.164 6.081 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.459 8.879 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.509 6.803 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.808 8.390 -1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.226 9.319 -1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.766 7.656 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.830 8.376 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.948 8.434 2.286 1.00 0.00 H new ATOM 276 N CYS A 19 -7.412 7.729 -3.752 1.00 0.00 N ATOM 277 CA CYS A 19 -6.086 8.088 -4.224 1.00 0.00 C ATOM 278 C CYS A 19 -6.227 8.750 -5.595 1.00 0.00 C ATOM 279 O CYS A 19 -5.581 9.761 -5.871 1.00 0.00 O ATOM 280 CB CYS A 19 -5.155 6.875 -4.268 1.00 0.00 C ATOM 281 SG CYS A 19 -5.284 5.755 -2.828 1.00 0.00 S ATOM 0 H CYS A 19 -7.541 6.736 -3.557 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.627 8.791 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.366 6.306 -5.173 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.126 7.227 -4.345 1.00 0.00 H new ATOM 286 N LYS A 20 -7.073 8.153 -6.422 1.00 0.00 N ATOM 287 CA LYS A 20 -7.308 8.672 -7.758 1.00 0.00 C ATOM 288 C LYS A 20 -7.760 10.130 -7.662 1.00 0.00 C ATOM 289 O LYS A 20 -7.772 10.848 -8.662 1.00 0.00 O ATOM 290 CB LYS A 20 -8.284 7.774 -8.520 1.00 0.00 C ATOM 291 CG LYS A 20 -7.680 7.306 -9.845 1.00 0.00 C ATOM 292 CD LYS A 20 -8.761 6.751 -10.775 1.00 0.00 C ATOM 293 CE LYS A 20 -9.505 7.882 -11.487 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.712 7.361 -12.168 1.00 0.00 N ATOM 0 H LYS A 20 -7.605 7.314 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.385 8.661 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.541 6.909 -7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.210 8.317 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.170 8.138 -10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.929 6.539 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.307 6.089 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.467 6.151 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.789 8.648 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.847 8.357 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.205 8.142 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.433 6.646 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.347 6.929 -11.467 1.00 0.00 H new ATOM 308 N ASP A 21 -8.122 10.527 -6.451 1.00 0.00 N ATOM 309 CA ASP A 21 -8.574 11.886 -6.211 1.00 0.00 C ATOM 310 C ASP A 21 -7.524 12.630 -5.382 1.00 0.00 C ATOM 311 O ASP A 21 -6.830 13.506 -5.896 1.00 0.00 O ATOM 312 CB ASP A 21 -9.890 11.899 -5.430 1.00 0.00 C ATOM 313 CG ASP A 21 -11.045 12.626 -6.122 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.053 12.618 -7.372 1.00 0.00 O ATOM 315 OD2 ASP A 21 -11.894 13.172 -5.384 1.00 0.00 O ATOM 0 H ASP A 21 -8.111 9.930 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.724 12.367 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.192 10.869 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.715 12.366 -4.461 1.00 0.00 H new ATOM 320 N GLU A 22 -7.442 12.253 -4.116 1.00 0.00 N ATOM 321 CA GLU A 22 -6.489 12.873 -3.211 1.00 0.00 C ATOM 322 C GLU A 22 -5.066 12.719 -3.751 1.00 0.00 C ATOM 323 O GLU A 22 -4.231 13.604 -3.574 1.00 0.00 O ATOM 324 CB GLU A 22 -6.607 12.286 -1.803 1.00 0.00 C ATOM 325 CG GLU A 22 -6.311 10.785 -1.808 1.00 0.00 C ATOM 326 CD GLU A 22 -7.162 10.055 -0.766 1.00 0.00 C ATOM 327 OE1 GLU A 22 -8.263 10.569 -0.473 1.00 0.00 O ATOM 328 OE2 GLU A 22 -6.693 8.999 -0.290 1.00 0.00 O ATOM 0 H GLU A 22 -8.020 11.526 -3.694 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.719 13.936 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.913 12.795 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.610 12.461 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.510 10.375 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.254 10.618 -1.601 1.00 0.00 H new ATOM 335 N LEU A 23 -4.832 11.586 -4.400 1.00 0.00 N ATOM 336 CA LEU A 23 -3.526 11.305 -4.968 1.00 0.00 C ATOM 337 C LEU A 23 -3.539 11.639 -6.461 1.00 0.00 C ATOM 338 O LEU A 23 -2.489 11.699 -7.097 1.00 0.00 O ATOM 339 CB LEU A 23 -3.108 9.865 -4.663 1.00 0.00 C ATOM 340 CG LEU A 23 -2.251 9.666 -3.410 1.00 0.00 C ATOM 341 CD1 LEU A 23 -0.902 10.373 -3.551 1.00 0.00 C ATOM 342 CD2 LEU A 23 -3.003 10.111 -2.155 1.00 0.00 C ATOM 0 H LEU A 23 -5.526 10.853 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.767 11.938 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.009 9.260 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.558 9.478 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.047 8.601 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.313 10.216 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.366 9.967 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.064 11.441 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.372 9.959 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.258 11.167 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.916 9.524 -2.051 1.00 0.00 H new ATOM 354 N SER A 24 -4.743 11.846 -6.975 1.00 0.00 N ATOM 355 CA SER A 24 -4.907 12.172 -8.382 1.00 0.00 C ATOM 356 C SER A 24 -4.054 11.235 -9.240 1.00 0.00 C ATOM 357 O SER A 24 -3.750 11.546 -10.392 1.00 0.00 O ATOM 358 CB SER A 24 -4.535 13.629 -8.658 1.00 0.00 C ATOM 359 OG SER A 24 -5.331 14.198 -9.693 1.00 0.00 O ATOM 0 H SER A 24 -5.612 11.794 -6.444 1.00 0.00 H new ATOM 0 HA SER A 24 -5.957 12.038 -8.643 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.656 14.213 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.483 13.688 -8.937 1.00 0.00 H new ATOM 0 HG SER A 24 -5.063 15.129 -9.837 1.00 0.00 H new ATOM 365 N LEU A 25 -3.691 10.107 -8.646 1.00 0.00 N ATOM 366 CA LEU A 25 -2.878 9.124 -9.342 1.00 0.00 C ATOM 367 C LEU A 25 -3.792 8.160 -10.101 1.00 0.00 C ATOM 368 O LEU A 25 -4.999 8.132 -9.872 1.00 0.00 O ATOM 369 CB LEU A 25 -1.926 8.430 -8.365 1.00 0.00 C ATOM 370 CG LEU A 25 -2.523 7.283 -7.548 1.00 0.00 C ATOM 371 CD1 LEU A 25 -3.956 7.603 -7.118 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.437 5.961 -8.314 1.00 0.00 C ATOM 0 H LEU A 25 -3.945 9.852 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.241 9.609 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.076 8.045 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.537 9.178 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.932 7.168 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.356 6.771 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.960 8.506 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.574 7.761 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.868 5.162 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.988 6.047 -9.250 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.393 5.731 -8.527 1.00 0.00 H new ATOM 384 N PRO A 26 -3.163 7.371 -11.014 1.00 0.00 N ATOM 385 CA PRO A 26 -3.906 6.408 -11.809 1.00 0.00 C ATOM 386 C PRO A 26 -4.293 5.188 -10.971 1.00 0.00 C ATOM 387 O PRO A 26 -3.429 4.523 -10.400 1.00 0.00 O ATOM 388 CB PRO A 26 -2.987 6.064 -12.970 1.00 0.00 C ATOM 389 CG PRO A 26 -1.593 6.486 -12.538 1.00 0.00 C ATOM 390 CD PRO A 26 -1.734 7.376 -11.313 1.00 0.00 C ATOM 0 HA PRO A 26 -4.854 6.805 -12.173 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.021 4.997 -13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.290 6.588 -13.876 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.984 5.612 -12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.090 7.021 -13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.153 6.991 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.375 8.385 -11.513 1.00 0.00 H new ATOM 398 N ASP A 27 -5.592 4.931 -10.922 1.00 0.00 N ATOM 399 CA ASP A 27 -6.104 3.803 -10.164 1.00 0.00 C ATOM 400 C ASP A 27 -5.674 2.500 -10.843 1.00 0.00 C ATOM 401 O ASP A 27 -6.018 1.413 -10.381 1.00 0.00 O ATOM 402 CB ASP A 27 -7.632 3.825 -10.106 1.00 0.00 C ATOM 403 CG ASP A 27 -8.332 3.618 -11.452 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.756 4.063 -12.467 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.428 3.016 -11.434 1.00 0.00 O ATOM 0 H ASP A 27 -6.305 5.485 -11.395 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.705 3.868 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.966 3.050 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.951 4.781 -9.690 1.00 0.00 H new ATOM 410 N SER A 28 -4.931 2.653 -11.929 1.00 0.00 N ATOM 411 CA SER A 28 -4.451 1.503 -12.676 1.00 0.00 C ATOM 412 C SER A 28 -3.172 0.960 -12.037 1.00 0.00 C ATOM 413 O SER A 28 -2.992 -0.253 -11.934 1.00 0.00 O ATOM 414 CB SER A 28 -4.201 1.864 -14.142 1.00 0.00 C ATOM 415 OG SER A 28 -3.433 3.057 -14.274 1.00 0.00 O ATOM 0 H SER A 28 -4.649 3.556 -12.310 1.00 0.00 H new ATOM 0 HA SER A 28 -5.220 0.731 -12.646 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.681 1.042 -14.634 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.156 1.989 -14.653 1.00 0.00 H new ATOM 0 HG SER A 28 -3.293 3.253 -15.224 1.00 0.00 H new ATOM 421 N VAL A 29 -2.317 1.883 -11.625 1.00 0.00 N ATOM 422 CA VAL A 29 -1.059 1.512 -10.998 1.00 0.00 C ATOM 423 C VAL A 29 -1.344 0.816 -9.666 1.00 0.00 C ATOM 424 O VAL A 29 -0.658 -0.136 -9.300 1.00 0.00 O ATOM 425 CB VAL A 29 -0.165 2.745 -10.849 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.023 3.451 -12.193 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.727 3.706 -9.798 1.00 0.00 C ATOM 0 H VAL A 29 -2.470 2.888 -11.713 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.514 0.805 -11.624 1.00 0.00 H new ATOM 0 HB VAL A 29 0.814 2.410 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.662 4.324 -12.059 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.488 2.766 -12.902 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.947 3.767 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.073 4.574 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.723 4.031 -10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.785 3.198 -8.835 1.00 0.00 H new ATOM 437 N VAL A 30 -2.359 1.318 -8.977 1.00 0.00 N ATOM 438 CA VAL A 30 -2.743 0.755 -7.693 1.00 0.00 C ATOM 439 C VAL A 30 -3.364 -0.625 -7.912 1.00 0.00 C ATOM 440 O VAL A 30 -3.257 -1.502 -7.055 1.00 0.00 O ATOM 441 CB VAL A 30 -3.674 1.720 -6.957 1.00 0.00 C ATOM 442 CG1 VAL A 30 -2.979 3.057 -6.691 1.00 0.00 C ATOM 443 CG2 VAL A 30 -4.977 1.924 -7.733 1.00 0.00 C ATOM 0 H VAL A 30 -2.927 2.108 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.868 0.620 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.924 1.275 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.663 3.725 -6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.093 2.891 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.685 3.509 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.621 2.614 -7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.754 2.336 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.486 0.967 -7.848 1.00 0.00 H new ATOM 453 N ALA A 31 -4.000 -0.778 -9.065 1.00 0.00 N ATOM 454 CA ALA A 31 -4.639 -2.037 -9.406 1.00 0.00 C ATOM 455 C ALA A 31 -3.565 -3.106 -9.624 1.00 0.00 C ATOM 456 O ALA A 31 -3.837 -4.299 -9.499 1.00 0.00 O ATOM 457 CB ALA A 31 -5.526 -1.843 -10.638 1.00 0.00 C ATOM 0 H ALA A 31 -4.086 -0.050 -9.775 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.281 -2.374 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.005 -2.788 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.289 -1.095 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.916 -1.507 -11.476 1.00 0.00 H new ATOM 463 N ASP A 32 -2.367 -2.639 -9.946 1.00 0.00 N ATOM 464 CA ASP A 32 -1.252 -3.539 -10.184 1.00 0.00 C ATOM 465 C ASP A 32 -0.932 -4.298 -8.893 1.00 0.00 C ATOM 466 O ASP A 32 -0.505 -5.451 -8.936 1.00 0.00 O ATOM 467 CB ASP A 32 0.001 -2.766 -10.600 1.00 0.00 C ATOM 468 CG ASP A 32 0.910 -3.495 -11.592 1.00 0.00 C ATOM 469 OD1 ASP A 32 0.656 -4.699 -11.815 1.00 0.00 O ATOM 470 OD2 ASP A 32 1.837 -2.833 -12.105 1.00 0.00 O ATOM 0 H ASP A 32 -2.145 -1.649 -10.047 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.535 -4.224 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.305 -1.817 -11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.578 -2.531 -9.706 1.00 0.00 H new ATOM 475 N LEU A 33 -1.152 -3.620 -7.776 1.00 0.00 N ATOM 476 CA LEU A 33 -0.892 -4.215 -6.476 1.00 0.00 C ATOM 477 C LEU A 33 -1.574 -5.583 -6.402 1.00 0.00 C ATOM 478 O LEU A 33 -0.962 -6.564 -5.980 1.00 0.00 O ATOM 479 CB LEU A 33 -1.307 -3.260 -5.356 1.00 0.00 C ATOM 480 CG LEU A 33 -0.854 -3.641 -3.946 1.00 0.00 C ATOM 481 CD1 LEU A 33 -1.931 -3.306 -2.914 1.00 0.00 C ATOM 482 CD2 LEU A 33 -0.438 -5.113 -3.883 1.00 0.00 C ATOM 0 H LEU A 33 -1.507 -2.664 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 33 0.177 -4.382 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.915 -2.269 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.394 -3.181 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 33 0.025 -3.046 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.583 -3.587 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.137 -2.236 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.843 -3.856 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.120 -5.358 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.284 -5.742 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.386 -5.288 -4.574 1.00 0.00 H new ATOM 494 N TYR A 34 -2.833 -5.605 -6.817 1.00 0.00 N ATOM 495 CA TYR A 34 -3.604 -6.837 -6.801 1.00 0.00 C ATOM 496 C TYR A 34 -2.934 -7.913 -7.657 1.00 0.00 C ATOM 497 O TYR A 34 -3.149 -9.105 -7.439 1.00 0.00 O ATOM 498 CB TYR A 34 -4.963 -6.489 -7.413 1.00 0.00 C ATOM 499 CG TYR A 34 -5.845 -5.618 -6.515 1.00 0.00 C ATOM 500 CD1 TYR A 34 -5.722 -4.244 -6.553 1.00 0.00 C ATOM 501 CD2 TYR A 34 -6.763 -6.206 -5.669 1.00 0.00 C ATOM 502 CE1 TYR A 34 -6.553 -3.425 -5.708 1.00 0.00 C ATOM 503 CE2 TYR A 34 -7.593 -5.387 -4.826 1.00 0.00 C ATOM 504 CZ TYR A 34 -7.446 -4.036 -4.886 1.00 0.00 C ATOM 505 OH TYR A 34 -8.230 -3.262 -4.089 1.00 0.00 O ATOM 0 H TYR A 34 -3.338 -4.790 -7.166 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.688 -7.226 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.802 -5.972 -8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.495 -7.413 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.004 -3.783 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.859 -7.281 -5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.468 -2.349 -5.727 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.316 -5.835 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.061 -3.483 -3.149 1.00 0.00 H new ATOM 515 N ASN A 35 -2.137 -7.456 -8.610 1.00 0.00 N ATOM 516 CA ASN A 35 -1.435 -8.366 -9.499 1.00 0.00 C ATOM 517 C ASN A 35 -0.231 -8.960 -8.765 1.00 0.00 C ATOM 518 O ASN A 35 -0.244 -10.131 -8.388 1.00 0.00 O ATOM 519 CB ASN A 35 -0.918 -7.635 -10.741 1.00 0.00 C ATOM 520 CG ASN A 35 -1.433 -8.297 -12.020 1.00 0.00 C ATOM 521 OD1 ASN A 35 -1.692 -9.489 -12.072 1.00 0.00 O ATOM 522 ND2 ASN A 35 -1.565 -7.461 -13.046 1.00 0.00 N ATOM 0 H ASN A 35 -1.961 -6.467 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.133 -9.145 -9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.236 -6.593 -10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.172 -7.635 -10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.901 -7.806 -13.945 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.330 -6.475 -12.934 1.00 0.00 H new ATOM 529 N PHE A 36 0.783 -8.126 -8.585 1.00 0.00 N ATOM 530 CA PHE A 36 1.993 -8.553 -7.903 1.00 0.00 C ATOM 531 C PHE A 36 3.175 -7.651 -8.266 1.00 0.00 C ATOM 532 O PHE A 36 4.279 -8.138 -8.505 1.00 0.00 O ATOM 533 CB PHE A 36 2.290 -9.978 -8.372 1.00 0.00 C ATOM 534 CG PHE A 36 1.918 -11.059 -7.354 1.00 0.00 C ATOM 535 CD1 PHE A 36 2.166 -10.862 -6.033 1.00 0.00 C ATOM 536 CD2 PHE A 36 1.336 -12.215 -7.773 1.00 0.00 C ATOM 537 CE1 PHE A 36 1.821 -11.865 -5.088 1.00 0.00 C ATOM 538 CE2 PHE A 36 0.991 -13.217 -6.828 1.00 0.00 C ATOM 539 CZ PHE A 36 1.239 -13.022 -5.506 1.00 0.00 C ATOM 0 H PHE A 36 0.791 -7.156 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 36 1.850 -8.501 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.748 -10.165 -9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.352 -10.060 -8.602 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.626 -9.943 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.137 -12.370 -8.823 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.021 -11.709 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.531 -14.136 -7.160 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.975 -13.784 -4.788 1.00 0.00 H new ATOM 549 N TRP A 37 2.903 -6.355 -8.298 1.00 0.00 N ATOM 550 CA TRP A 37 3.930 -5.383 -8.629 1.00 0.00 C ATOM 551 C TRP A 37 4.582 -4.923 -7.323 1.00 0.00 C ATOM 552 O TRP A 37 5.213 -3.868 -7.279 1.00 0.00 O ATOM 553 CB TRP A 37 3.347 -4.227 -9.444 1.00 0.00 C ATOM 554 CG TRP A 37 3.250 -2.908 -8.675 1.00 0.00 C ATOM 555 CD1 TRP A 37 3.542 -1.675 -9.111 1.00 0.00 C ATOM 556 CD2 TRP A 37 2.816 -2.739 -7.309 1.00 0.00 C ATOM 557 NE1 TRP A 37 3.329 -0.729 -8.130 1.00 0.00 N ATOM 558 CE2 TRP A 37 2.874 -1.396 -6.999 1.00 0.00 C ATOM 559 CE3 TRP A 37 2.389 -3.692 -6.366 1.00 0.00 C ATOM 560 CZ2 TRP A 37 2.520 -0.882 -5.746 1.00 0.00 C ATOM 561 CZ3 TRP A 37 2.038 -3.162 -5.119 1.00 0.00 C ATOM 562 CH2 TRP A 37 2.091 -1.813 -4.791 1.00 0.00 C ATOM 0 H TRP A 37 1.986 -5.955 -8.100 1.00 0.00 H new ATOM 0 HA TRP A 37 4.696 -5.830 -9.263 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.963 -4.074 -10.330 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.352 -4.507 -9.792 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.899 -1.450 -10.105 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.478 0.276 -8.219 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.336 -4.748 -6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.575 0.174 -5.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.702 -3.851 -4.358 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.803 -1.483 -3.804 1.00 0.00 H new ATOM 573 N LYS A 38 4.408 -5.737 -6.292 1.00 0.00 N ATOM 574 CA LYS A 38 4.972 -5.427 -4.989 1.00 0.00 C ATOM 575 C LYS A 38 6.432 -5.002 -5.159 1.00 0.00 C ATOM 576 O LYS A 38 6.806 -3.890 -4.790 1.00 0.00 O ATOM 577 CB LYS A 38 4.781 -6.602 -4.030 1.00 0.00 C ATOM 578 CG LYS A 38 3.849 -6.223 -2.877 1.00 0.00 C ATOM 579 CD LYS A 38 3.622 -7.412 -1.941 1.00 0.00 C ATOM 580 CE LYS A 38 2.242 -7.338 -1.285 1.00 0.00 C ATOM 581 NZ LYS A 38 2.346 -7.589 0.170 1.00 0.00 N ATOM 0 H LYS A 38 3.884 -6.611 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 38 4.446 -4.587 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.369 -7.454 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.747 -6.913 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.277 -5.392 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.893 -5.881 -3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.713 -8.343 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.394 -7.426 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.802 -6.356 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.577 -8.072 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.672 -6.980 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.127 -8.587 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.312 -7.377 0.491 1.00 0.00 H new ATOM 595 N ASP A 39 7.219 -5.910 -5.719 1.00 0.00 N ATOM 596 CA ASP A 39 8.629 -5.644 -5.941 1.00 0.00 C ATOM 597 C ASP A 39 8.786 -4.273 -6.601 1.00 0.00 C ATOM 598 O ASP A 39 9.821 -3.623 -6.453 1.00 0.00 O ATOM 599 CB ASP A 39 9.248 -6.689 -6.872 1.00 0.00 C ATOM 600 CG ASP A 39 10.734 -6.491 -7.170 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.057 -5.452 -7.784 1.00 0.00 O ATOM 602 OD2 ASP A 39 11.515 -7.385 -6.777 1.00 0.00 O ATOM 0 H ASP A 39 6.906 -6.831 -6.025 1.00 0.00 H new ATOM 0 HA ASP A 39 9.134 -5.677 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.110 -7.675 -6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.700 -6.684 -7.814 1.00 0.00 H new ATOM 607 N ASP A 40 7.744 -3.870 -7.314 1.00 0.00 N ATOM 608 CA ASP A 40 7.754 -2.589 -7.997 1.00 0.00 C ATOM 609 C ASP A 40 7.696 -1.464 -6.961 1.00 0.00 C ATOM 610 O ASP A 40 6.614 -0.998 -6.607 1.00 0.00 O ATOM 611 CB ASP A 40 6.541 -2.446 -8.919 1.00 0.00 C ATOM 612 CG ASP A 40 6.752 -1.532 -10.127 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.707 -0.300 -9.922 1.00 0.00 O ATOM 614 OD2 ASP A 40 6.950 -2.086 -11.229 1.00 0.00 O ATOM 0 H ASP A 40 6.887 -4.410 -7.433 1.00 0.00 H new ATOM 0 HA ASP A 40 8.666 -2.530 -8.591 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.256 -3.436 -9.276 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.703 -2.065 -8.336 1.00 0.00 H new ATOM 619 N TYR A 41 8.873 -1.061 -6.506 1.00 0.00 N ATOM 620 CA TYR A 41 8.969 0.000 -5.517 1.00 0.00 C ATOM 621 C TYR A 41 8.655 1.361 -6.141 1.00 0.00 C ATOM 622 O TYR A 41 8.692 1.511 -7.362 1.00 0.00 O ATOM 623 CB TYR A 41 10.421 -0.004 -5.035 1.00 0.00 C ATOM 624 CG TYR A 41 11.021 -1.403 -4.878 1.00 0.00 C ATOM 625 CD1 TYR A 41 10.338 -2.372 -4.173 1.00 0.00 C ATOM 626 CD2 TYR A 41 12.247 -1.695 -5.442 1.00 0.00 C ATOM 627 CE1 TYR A 41 10.902 -3.689 -4.026 1.00 0.00 C ATOM 628 CE2 TYR A 41 12.811 -3.012 -5.295 1.00 0.00 C ATOM 629 CZ TYR A 41 12.111 -3.943 -4.595 1.00 0.00 C ATOM 630 OH TYR A 41 12.645 -5.186 -4.455 1.00 0.00 O ATOM 0 H TYR A 41 9.768 -1.450 -6.803 1.00 0.00 H new ATOM 0 HA TYR A 41 8.259 -0.165 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.029 0.564 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.477 0.514 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.380 -2.143 -3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 41 12.783 -0.936 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 41 10.377 -4.457 -3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.769 -3.254 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 41 13.510 -5.224 -4.913 1.00 0.00 H new ATOM 640 N VAL A 42 8.353 2.317 -5.277 1.00 0.00 N ATOM 641 CA VAL A 42 8.034 3.661 -5.728 1.00 0.00 C ATOM 642 C VAL A 42 8.979 4.052 -6.865 1.00 0.00 C ATOM 643 O VAL A 42 8.614 4.838 -7.738 1.00 0.00 O ATOM 644 CB VAL A 42 8.083 4.635 -4.549 1.00 0.00 C ATOM 645 CG1 VAL A 42 7.085 4.231 -3.461 1.00 0.00 C ATOM 646 CG2 VAL A 42 9.500 4.737 -3.981 1.00 0.00 C ATOM 0 H VAL A 42 8.322 2.188 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 42 7.018 3.699 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 42 7.797 5.620 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.141 4.940 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.076 4.233 -3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.327 3.232 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.507 5.436 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.826 3.755 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.178 5.093 -4.757 1.00 0.00 H new ATOM 656 N MET A 43 10.175 3.483 -6.819 1.00 0.00 N ATOM 657 CA MET A 43 11.176 3.761 -7.835 1.00 0.00 C ATOM 658 C MET A 43 10.544 3.810 -9.228 1.00 0.00 C ATOM 659 O MET A 43 11.062 4.472 -10.125 1.00 0.00 O ATOM 660 CB MET A 43 12.254 2.676 -7.802 1.00 0.00 C ATOM 661 CG MET A 43 11.714 1.350 -8.343 1.00 0.00 C ATOM 662 SD MET A 43 13.032 0.150 -8.442 1.00 0.00 S ATOM 663 CE MET A 43 12.964 -0.241 -10.182 1.00 0.00 C ATOM 0 H MET A 43 10.473 2.831 -6.094 1.00 0.00 H new ATOM 0 HA MET A 43 11.621 4.733 -7.623 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.112 2.993 -8.395 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.606 2.539 -6.780 1.00 0.00 H new ATOM 0 HG2 MET A 43 10.921 0.979 -7.694 1.00 0.00 H new ATOM 0 HG3 MET A 43 11.274 1.502 -9.329 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.727 -0.982 -10.418 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.980 -0.642 -10.427 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.143 0.662 -10.765 1.00 0.00 H new ATOM 673 N THR A 44 9.434 3.101 -9.364 1.00 0.00 N ATOM 674 CA THR A 44 8.726 3.055 -10.633 1.00 0.00 C ATOM 675 C THR A 44 7.366 3.746 -10.510 1.00 0.00 C ATOM 676 O THR A 44 7.023 4.598 -11.327 1.00 0.00 O ATOM 677 CB THR A 44 8.626 1.591 -11.066 1.00 0.00 C ATOM 678 OG1 THR A 44 9.832 1.360 -11.789 1.00 0.00 O ATOM 679 CG2 THR A 44 7.522 1.360 -12.100 1.00 0.00 C ATOM 0 H THR A 44 9.007 2.553 -8.617 1.00 0.00 H new ATOM 0 HA THR A 44 9.265 3.602 -11.407 1.00 0.00 H new ATOM 0 HB THR A 44 8.441 0.966 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.851 0.433 -12.105 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.494 0.305 -12.373 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.561 1.651 -11.677 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.724 1.959 -12.988 1.00 0.00 H new ATOM 687 N ASP A 45 6.629 3.352 -9.482 1.00 0.00 N ATOM 688 CA ASP A 45 5.314 3.923 -9.241 1.00 0.00 C ATOM 689 C ASP A 45 5.180 4.278 -7.759 1.00 0.00 C ATOM 690 O ASP A 45 4.766 3.446 -6.953 1.00 0.00 O ATOM 691 CB ASP A 45 4.209 2.925 -9.589 1.00 0.00 C ATOM 692 CG ASP A 45 2.941 3.545 -10.183 1.00 0.00 C ATOM 693 OD1 ASP A 45 2.219 4.210 -9.408 1.00 0.00 O ATOM 694 OD2 ASP A 45 2.723 3.340 -11.396 1.00 0.00 O ATOM 0 H ASP A 45 6.917 2.644 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 45 5.211 4.809 -9.868 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.606 2.198 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.939 2.376 -8.687 1.00 0.00 H new ATOM 699 N ARG A 46 5.539 5.514 -7.444 1.00 0.00 N ATOM 700 CA ARG A 46 5.465 5.988 -6.073 1.00 0.00 C ATOM 701 C ARG A 46 4.005 6.181 -5.657 1.00 0.00 C ATOM 702 O ARG A 46 3.633 5.876 -4.524 1.00 0.00 O ATOM 703 CB ARG A 46 6.213 7.312 -5.908 1.00 0.00 C ATOM 704 CG ARG A 46 6.014 7.883 -4.501 1.00 0.00 C ATOM 705 CD ARG A 46 5.551 9.339 -4.562 1.00 0.00 C ATOM 706 NE ARG A 46 6.652 10.201 -5.048 1.00 0.00 N ATOM 707 CZ ARG A 46 7.702 10.570 -4.303 1.00 0.00 C ATOM 708 NH1 ARG A 46 7.802 10.158 -3.032 1.00 0.00 N ATOM 709 NH2 ARG A 46 8.653 11.354 -4.828 1.00 0.00 N ATOM 0 H ARG A 46 5.882 6.201 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 46 5.932 5.237 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.276 7.159 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.859 8.029 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.278 7.286 -3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.948 7.817 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.690 9.428 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.229 9.669 -3.574 1.00 0.00 H new ATOM 0 HE ARG A 46 6.608 10.535 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.078 9.562 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.602 10.440 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.577 11.670 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.453 11.635 -4.261 1.00 0.00 H new ATOM 723 N LEU A 47 3.217 6.684 -6.595 1.00 0.00 N ATOM 724 CA LEU A 47 1.806 6.920 -6.340 1.00 0.00 C ATOM 725 C LEU A 47 1.189 5.668 -5.713 1.00 0.00 C ATOM 726 O LEU A 47 0.422 5.761 -4.756 1.00 0.00 O ATOM 727 CB LEU A 47 1.100 7.382 -7.616 1.00 0.00 C ATOM 728 CG LEU A 47 1.843 8.425 -8.454 1.00 0.00 C ATOM 729 CD1 LEU A 47 2.653 9.368 -7.562 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.713 7.754 -9.518 1.00 0.00 C ATOM 0 H LEU A 47 3.529 6.935 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 47 1.679 7.731 -5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.914 6.509 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.128 7.791 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 47 1.105 9.032 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.171 10.099 -8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.983 9.885 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.383 8.793 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.230 8.517 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.446 7.108 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.084 7.158 -10.179 1.00 0.00 H new ATOM 742 N ALA A 48 1.547 4.524 -6.279 1.00 0.00 N ATOM 743 CA ALA A 48 1.038 3.255 -5.790 1.00 0.00 C ATOM 744 C ALA A 48 1.427 3.088 -4.320 1.00 0.00 C ATOM 745 O ALA A 48 0.748 2.387 -3.570 1.00 0.00 O ATOM 746 CB ALA A 48 1.569 2.119 -6.666 1.00 0.00 C ATOM 0 H ALA A 48 2.184 4.450 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.050 3.230 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.187 1.167 -6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.241 2.269 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.658 2.111 -6.630 1.00 0.00 H new ATOM 752 N GLY A 49 2.517 3.745 -3.950 1.00 0.00 N ATOM 753 CA GLY A 49 3.004 3.677 -2.584 1.00 0.00 C ATOM 754 C GLY A 49 2.247 4.656 -1.682 1.00 0.00 C ATOM 755 O GLY A 49 2.089 4.411 -0.487 1.00 0.00 O ATOM 0 H GLY A 49 3.076 4.327 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.888 2.662 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.069 3.906 -2.562 1.00 0.00 H new ATOM 759 N CYS A 50 1.795 5.743 -2.290 1.00 0.00 N ATOM 760 CA CYS A 50 1.057 6.758 -1.559 1.00 0.00 C ATOM 761 C CYS A 50 -0.425 6.380 -1.575 1.00 0.00 C ATOM 762 O CYS A 50 -1.126 6.555 -0.578 1.00 0.00 O ATOM 763 CB CYS A 50 1.296 8.156 -2.133 1.00 0.00 C ATOM 764 SG CYS A 50 1.453 9.483 -0.883 1.00 0.00 S ATOM 0 H CYS A 50 1.926 5.943 -3.282 1.00 0.00 H new ATOM 0 HA CYS A 50 1.410 6.795 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.204 8.135 -2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.473 8.404 -2.804 1.00 0.00 H new ATOM 769 N ALA A 51 -0.860 5.869 -2.718 1.00 0.00 N ATOM 770 CA ALA A 51 -2.246 5.464 -2.877 1.00 0.00 C ATOM 771 C ALA A 51 -2.554 4.318 -1.910 1.00 0.00 C ATOM 772 O ALA A 51 -3.553 4.355 -1.195 1.00 0.00 O ATOM 773 CB ALA A 51 -2.503 5.081 -4.335 1.00 0.00 C ATOM 0 H ALA A 51 -0.277 5.726 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.916 6.289 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.543 4.777 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.300 5.938 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.850 4.255 -4.615 1.00 0.00 H new ATOM 779 N ILE A 52 -1.675 3.327 -1.918 1.00 0.00 N ATOM 780 CA ILE A 52 -1.839 2.174 -1.053 1.00 0.00 C ATOM 781 C ILE A 52 -2.130 2.648 0.373 1.00 0.00 C ATOM 782 O ILE A 52 -2.918 2.030 1.088 1.00 0.00 O ATOM 783 CB ILE A 52 -0.625 1.248 -1.155 1.00 0.00 C ATOM 784 CG1 ILE A 52 -0.898 -0.095 -0.474 1.00 0.00 C ATOM 785 CG2 ILE A 52 0.630 1.927 -0.602 1.00 0.00 C ATOM 786 CD1 ILE A 52 -2.302 -0.601 -0.805 1.00 0.00 C ATOM 0 H ILE A 52 -0.846 3.300 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.694 1.578 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.442 1.041 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.158 -0.828 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.791 0.012 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.478 1.248 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.834 2.834 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.473 2.183 0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.471 -1.557 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.040 0.123 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.397 -0.730 -1.883 1.00 0.00 H new ATOM 798 N ASN A 53 -1.481 3.742 0.742 1.00 0.00 N ATOM 799 CA ASN A 53 -1.661 4.308 2.069 1.00 0.00 C ATOM 800 C ASN A 53 -3.148 4.576 2.306 1.00 0.00 C ATOM 801 O ASN A 53 -3.653 4.361 3.408 1.00 0.00 O ATOM 802 CB ASN A 53 -0.913 5.635 2.208 1.00 0.00 C ATOM 803 CG ASN A 53 0.072 5.589 3.377 1.00 0.00 C ATOM 804 OD1 ASN A 53 1.238 5.263 3.228 1.00 0.00 O ATOM 805 ND2 ASN A 53 -0.459 5.933 4.547 1.00 0.00 N ATOM 0 H ASN A 53 -0.829 4.252 0.146 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.269 3.596 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.377 5.853 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.627 6.445 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.118 5.934 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.443 6.196 4.603 1.00 0.00 H new ATOM 812 N CYS A 54 -3.809 5.039 1.256 1.00 0.00 N ATOM 813 CA CYS A 54 -5.228 5.339 1.338 1.00 0.00 C ATOM 814 C CYS A 54 -5.956 4.088 1.836 1.00 0.00 C ATOM 815 O CYS A 54 -6.990 4.189 2.494 1.00 0.00 O ATOM 816 CB CYS A 54 -5.781 5.823 -0.004 1.00 0.00 C ATOM 817 SG CYS A 54 -4.644 6.885 -0.966 1.00 0.00 S ATOM 0 H CYS A 54 -3.388 5.214 0.343 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.390 6.156 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.042 4.954 -0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.704 6.374 0.177 1.00 0.00 H new ATOM 822 N LEU A 55 -5.385 2.940 1.505 1.00 0.00 N ATOM 823 CA LEU A 55 -5.967 1.671 1.912 1.00 0.00 C ATOM 824 C LEU A 55 -6.213 1.690 3.421 1.00 0.00 C ATOM 825 O LEU A 55 -7.163 1.075 3.905 1.00 0.00 O ATOM 826 CB LEU A 55 -5.090 0.506 1.447 1.00 0.00 C ATOM 827 CG LEU A 55 -5.810 -0.822 1.211 1.00 0.00 C ATOM 828 CD1 LEU A 55 -5.620 -1.301 -0.230 1.00 0.00 C ATOM 829 CD2 LEU A 55 -5.365 -1.876 2.226 1.00 0.00 C ATOM 0 H LEU A 55 -4.526 2.861 0.960 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.934 1.523 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.594 0.797 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.309 0.346 2.190 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.878 -0.661 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.142 -2.247 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.025 -0.558 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.558 -1.440 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.893 -2.811 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.291 -2.040 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.593 -1.530 3.234 1.00 0.00 H new ATOM 841 N ALA A 56 -5.342 2.401 4.123 1.00 0.00 N ATOM 842 CA ALA A 56 -5.455 2.506 5.568 1.00 0.00 C ATOM 843 C ALA A 56 -6.596 3.464 5.917 1.00 0.00 C ATOM 844 O ALA A 56 -7.081 3.471 7.048 1.00 0.00 O ATOM 845 CB ALA A 56 -4.116 2.957 6.153 1.00 0.00 C ATOM 0 H ALA A 56 -4.556 2.909 3.718 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.692 1.537 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.201 3.036 7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.345 2.229 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.847 3.928 5.738 1.00 0.00 H new ATOM 851 N THR A 57 -6.992 4.250 4.926 1.00 0.00 N ATOM 852 CA THR A 57 -8.066 5.209 5.114 1.00 0.00 C ATOM 853 C THR A 57 -8.910 4.831 6.333 1.00 0.00 C ATOM 854 O THR A 57 -9.000 5.594 7.293 1.00 0.00 O ATOM 855 CB THR A 57 -8.871 5.279 3.815 1.00 0.00 C ATOM 856 OG1 THR A 57 -10.082 5.928 4.192 1.00 0.00 O ATOM 857 CG2 THR A 57 -9.322 3.900 3.330 1.00 0.00 C ATOM 0 H THR A 57 -6.587 4.242 3.990 1.00 0.00 H new ATOM 0 HA THR A 57 -7.675 6.205 5.324 1.00 0.00 H new ATOM 0 HB THR A 57 -8.270 5.757 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.664 6.016 3.408 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.889 4.007 2.405 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.448 3.274 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.951 3.435 4.089 1.00 0.00 H new ATOM 865 N LYS A 58 -9.511 3.651 6.254 1.00 0.00 N ATOM 866 CA LYS A 58 -10.346 3.163 7.338 1.00 0.00 C ATOM 867 C LYS A 58 -9.700 1.918 7.951 1.00 0.00 C ATOM 868 O LYS A 58 -9.743 0.839 7.364 1.00 0.00 O ATOM 869 CB LYS A 58 -11.777 2.936 6.851 1.00 0.00 C ATOM 870 CG LYS A 58 -12.557 4.251 6.808 1.00 0.00 C ATOM 871 CD LYS A 58 -13.007 4.668 8.210 1.00 0.00 C ATOM 872 CE LYS A 58 -13.411 6.144 8.240 1.00 0.00 C ATOM 873 NZ LYS A 58 -12.569 6.891 9.200 1.00 0.00 N ATOM 0 H LYS A 58 -9.436 3.020 5.456 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.418 3.909 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.760 2.487 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.282 2.231 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.934 5.033 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.427 4.141 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.848 4.051 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.200 4.494 8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.309 6.576 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.460 6.235 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.856 7.891 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.687 6.489 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.571 6.819 8.916 1.00 0.00 H new ATOM 887 N LEU A 59 -9.116 2.112 9.125 1.00 0.00 N ATOM 888 CA LEU A 59 -8.463 1.019 9.826 1.00 0.00 C ATOM 889 C LEU A 59 -9.523 0.045 10.346 1.00 0.00 C ATOM 890 O LEU A 59 -9.221 -1.111 10.634 1.00 0.00 O ATOM 891 CB LEU A 59 -7.536 1.559 10.916 1.00 0.00 C ATOM 892 CG LEU A 59 -6.036 1.458 10.631 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.712 1.940 9.216 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.226 2.205 11.691 1.00 0.00 C ATOM 0 H LEU A 59 -9.082 3.010 9.608 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.823 0.459 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.783 2.606 11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.747 1.024 11.842 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.748 0.408 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.639 1.857 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.247 1.326 8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.018 2.980 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.163 2.118 11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.511 3.257 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.425 1.774 12.672 1.00 0.00 H new ATOM 906 N ASP A 60 -10.743 0.551 10.452 1.00 0.00 N ATOM 907 CA ASP A 60 -11.850 -0.258 10.932 1.00 0.00 C ATOM 908 C ASP A 60 -12.116 -1.390 9.939 1.00 0.00 C ATOM 909 O ASP A 60 -12.482 -2.497 10.336 1.00 0.00 O ATOM 910 CB ASP A 60 -13.128 0.574 11.055 1.00 0.00 C ATOM 911 CG ASP A 60 -13.616 0.801 12.488 1.00 0.00 C ATOM 912 OD1 ASP A 60 -12.816 0.529 13.409 1.00 0.00 O ATOM 913 OD2 ASP A 60 -14.776 1.240 12.628 1.00 0.00 O ATOM 0 H ASP A 60 -10.989 1.512 10.213 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.580 -0.651 11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.959 1.544 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.920 0.081 10.491 1.00 0.00 H new ATOM 918 N VAL A 61 -11.923 -1.078 8.666 1.00 0.00 N ATOM 919 CA VAL A 61 -12.139 -2.054 7.613 1.00 0.00 C ATOM 920 C VAL A 61 -10.874 -2.898 7.439 1.00 0.00 C ATOM 921 O VAL A 61 -10.954 -4.103 7.199 1.00 0.00 O ATOM 922 CB VAL A 61 -12.568 -1.349 6.324 1.00 0.00 C ATOM 923 CG1 VAL A 61 -13.918 -0.653 6.504 1.00 0.00 C ATOM 924 CG2 VAL A 61 -11.499 -0.360 5.858 1.00 0.00 C ATOM 0 H VAL A 61 -11.619 -0.161 8.340 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.949 -2.732 7.882 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.682 -2.107 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.200 -0.160 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.676 -1.391 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.842 0.089 7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.829 0.127 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.338 0.392 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.567 -0.893 5.671 1.00 0.00 H new ATOM 934 N VAL A 62 -9.735 -2.233 7.568 1.00 0.00 N ATOM 935 CA VAL A 62 -8.454 -2.906 7.429 1.00 0.00 C ATOM 936 C VAL A 62 -8.257 -3.863 8.606 1.00 0.00 C ATOM 937 O VAL A 62 -7.842 -5.006 8.418 1.00 0.00 O ATOM 938 CB VAL A 62 -7.332 -1.875 7.301 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.104 -2.298 8.110 1.00 0.00 C ATOM 940 CG2 VAL A 62 -6.968 -1.641 5.834 1.00 0.00 C ATOM 0 H VAL A 62 -9.672 -1.235 7.767 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.432 -3.503 6.517 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.695 -0.932 7.711 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.321 -1.548 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.375 -2.390 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.740 -3.258 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.168 -0.904 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.634 -2.578 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.842 -1.274 5.296 1.00 0.00 H new ATOM 950 N ASP A 63 -8.561 -3.360 9.794 1.00 0.00 N ATOM 951 CA ASP A 63 -8.421 -4.157 11.001 1.00 0.00 C ATOM 952 C ASP A 63 -9.740 -4.134 11.778 1.00 0.00 C ATOM 953 O ASP A 63 -10.061 -3.141 12.429 1.00 0.00 O ATOM 954 CB ASP A 63 -7.326 -3.593 11.909 1.00 0.00 C ATOM 955 CG ASP A 63 -7.455 -2.101 12.226 1.00 0.00 C ATOM 956 OD1 ASP A 63 -8.175 -1.787 13.199 1.00 0.00 O ATOM 957 OD2 ASP A 63 -6.830 -1.309 11.488 1.00 0.00 O ATOM 0 H ASP A 63 -8.903 -2.411 9.946 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.157 -5.173 10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.329 -4.150 12.846 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.359 -3.767 11.438 1.00 0.00 H new ATOM 962 N PRO A 64 -10.484 -5.268 11.681 1.00 0.00 N ATOM 963 CA PRO A 64 -11.759 -5.386 12.366 1.00 0.00 C ATOM 964 C PRO A 64 -11.557 -5.607 13.866 1.00 0.00 C ATOM 965 O PRO A 64 -12.255 -5.011 14.686 1.00 0.00 O ATOM 966 CB PRO A 64 -12.466 -6.547 11.684 1.00 0.00 C ATOM 967 CG PRO A 64 -11.380 -7.328 10.962 1.00 0.00 C ATOM 968 CD PRO A 64 -10.132 -6.462 10.918 1.00 0.00 C ATOM 0 HA PRO A 64 -12.358 -4.478 12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.980 -7.174 12.413 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.221 -6.188 10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.176 -8.265 11.480 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.702 -7.585 9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.277 -6.976 11.358 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.860 -6.211 9.893 1.00 0.00 H new ATOM 976 N ASP A 65 -10.598 -6.465 14.182 1.00 0.00 N ATOM 977 CA ASP A 65 -10.294 -6.771 15.569 1.00 0.00 C ATOM 978 C ASP A 65 -8.932 -6.175 15.933 1.00 0.00 C ATOM 979 O ASP A 65 -8.437 -6.380 17.040 1.00 0.00 O ATOM 980 CB ASP A 65 -10.225 -8.283 15.797 1.00 0.00 C ATOM 981 CG ASP A 65 -11.315 -8.849 16.711 1.00 0.00 C ATOM 982 OD1 ASP A 65 -12.466 -8.937 16.234 1.00 0.00 O ATOM 983 OD2 ASP A 65 -10.970 -9.181 17.865 1.00 0.00 O ATOM 0 H ASP A 65 -10.021 -6.958 13.500 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.085 -6.348 16.188 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.285 -8.784 14.831 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.252 -8.527 16.223 1.00 0.00 H new ATOM 988 N GLY A 66 -8.366 -5.451 14.980 1.00 0.00 N ATOM 989 CA GLY A 66 -7.070 -4.825 15.185 1.00 0.00 C ATOM 990 C GLY A 66 -5.951 -5.662 14.562 1.00 0.00 C ATOM 991 O GLY A 66 -4.897 -5.847 15.169 1.00 0.00 O ATOM 0 H GLY A 66 -8.780 -5.283 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.071 -3.828 14.745 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.886 -4.703 16.252 1.00 0.00 H new ATOM 995 N ASN A 67 -6.218 -6.146 13.358 1.00 0.00 N ATOM 996 CA ASN A 67 -5.248 -6.959 12.645 1.00 0.00 C ATOM 997 C ASN A 67 -3.899 -6.233 12.623 1.00 0.00 C ATOM 998 O ASN A 67 -2.852 -6.859 12.773 1.00 0.00 O ATOM 999 CB ASN A 67 -5.682 -7.193 11.197 1.00 0.00 C ATOM 1000 CG ASN A 67 -4.469 -7.280 10.268 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -3.527 -8.120 10.687 1.00 0.00 O flip ATOM 1002 ND2 ASN A 67 -4.394 -6.629 9.240 1.00 0.00 N flip ATOM 0 H ASN A 67 -7.093 -5.990 12.858 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.171 -7.918 13.157 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.261 -8.114 11.132 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.335 -6.382 10.874 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.154 -6.002 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.571 -6.711 8.643 1.00 0.00 H new ATOM 1009 N LEU A 68 -3.972 -4.924 12.437 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.772 -4.107 12.393 1.00 0.00 C ATOM 1011 C LEU A 68 -3.166 -2.633 12.282 1.00 0.00 C ATOM 1012 O LEU A 68 -4.348 -2.296 12.347 1.00 0.00 O ATOM 1013 CB LEU A 68 -1.840 -4.581 11.275 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.089 -3.973 9.893 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.455 -3.286 9.834 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -0.954 -3.026 9.498 1.00 0.00 C ATOM 0 H LEU A 68 -4.844 -4.409 12.315 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.204 -4.216 13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.813 -4.361 11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.924 -5.665 11.194 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.103 -4.781 9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.607 -2.862 8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.238 -4.015 10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.494 -2.490 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.156 -2.608 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.883 -2.219 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.013 -3.576 9.473 1.00 0.00 H new ATOM 1028 N HIS A 69 -2.154 -1.794 12.114 1.00 0.00 N ATOM 1029 CA HIS A 69 -2.381 -0.364 11.991 1.00 0.00 C ATOM 1030 C HIS A 69 -1.351 0.240 11.035 1.00 0.00 C ATOM 1031 O HIS A 69 -0.151 0.199 11.305 1.00 0.00 O ATOM 1032 CB HIS A 69 -2.378 0.306 13.367 1.00 0.00 C ATOM 1033 CG HIS A 69 -3.591 -0.011 14.207 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -3.842 -1.273 14.717 1.00 0.00 N ATOM 1035 CD2 HIS A 69 -4.620 0.783 14.623 1.00 0.00 C ATOM 1036 CE1 HIS A 69 -4.973 -1.229 15.405 1.00 0.00 C ATOM 1037 NE2 HIS A 69 -5.454 0.046 15.346 1.00 0.00 N ATOM 0 H HIS A 69 -1.176 -2.077 12.060 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.368 -0.184 11.565 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.483 -0.003 13.908 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.313 1.386 13.234 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.736 1.834 14.401 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.434 -2.058 15.922 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.313 0.378 15.785 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.855 0.785 9.939 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.994 1.397 8.941 1.00 0.00 C ATOM 1048 C HIS A 70 0.093 2.219 9.636 1.00 0.00 C ATOM 1049 O HIS A 70 -0.177 2.903 10.622 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.814 2.218 7.945 1.00 0.00 C ATOM 1051 CG HIS A 70 -2.101 3.628 8.402 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -2.204 4.695 7.526 1.00 0.00 N ATOM 1053 CD2 HIS A 70 -2.308 4.136 9.651 1.00 0.00 C ATOM 1054 CE1 HIS A 70 -2.459 5.789 8.227 1.00 0.00 C ATOM 1055 NE2 HIS A 70 -2.523 5.441 9.545 1.00 0.00 N ATOM 0 H HIS A 70 -2.851 0.816 9.719 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.497 0.621 8.359 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.281 2.256 6.995 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.759 1.707 7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.298 3.571 10.571 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.593 6.783 7.826 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.706 6.078 10.320 1.00 0.00 H new ATOM 1064 N GLY A 71 1.298 2.124 9.094 1.00 0.00 N ATOM 1065 CA GLY A 71 2.426 2.852 9.651 1.00 0.00 C ATOM 1066 C GLY A 71 2.992 2.133 10.877 1.00 0.00 C ATOM 1067 O GLY A 71 4.205 1.970 11.002 1.00 0.00 O ATOM 0 H GLY A 71 1.518 1.555 8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.204 2.957 8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.113 3.859 9.928 1.00 0.00 H new ATOM 1071 N ASN A 72 2.085 1.720 11.751 1.00 0.00 N ATOM 1072 CA ASN A 72 2.478 1.022 12.964 1.00 0.00 C ATOM 1073 C ASN A 72 1.716 -0.302 13.055 1.00 0.00 C ATOM 1074 O ASN A 72 0.686 -0.385 13.722 1.00 0.00 O ATOM 1075 CB ASN A 72 2.142 1.848 14.208 1.00 0.00 C ATOM 1076 CG ASN A 72 2.467 1.070 15.485 1.00 0.00 C ATOM 1077 OD1 ASN A 72 3.625 1.409 16.044 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 1.715 0.220 15.933 1.00 0.00 N flip ATOM 0 H ASN A 72 1.080 1.855 11.643 1.00 0.00 H new ATOM 0 HA ASN A 72 3.554 0.854 12.923 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.705 2.781 14.193 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.085 2.114 14.198 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.840 0.009 15.453 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.961 -0.279 16.788 1.00 0.00 H new ATOM 1085 N ALA A 73 2.252 -1.302 12.372 1.00 0.00 N ATOM 1086 CA ALA A 73 1.635 -2.619 12.368 1.00 0.00 C ATOM 1087 C ALA A 73 1.676 -3.202 13.781 1.00 0.00 C ATOM 1088 O ALA A 73 2.723 -3.204 14.426 1.00 0.00 O ATOM 1089 CB ALA A 73 2.345 -3.512 11.347 1.00 0.00 C ATOM 0 H ALA A 73 3.105 -1.228 11.818 1.00 0.00 H new ATOM 0 HA ALA A 73 0.589 -2.552 12.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.883 -4.499 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.261 -3.068 10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.398 -3.605 11.615 1.00 0.00 H new ATOM 1095 N LYS A 74 0.523 -3.682 14.222 1.00 0.00 N ATOM 1096 CA LYS A 74 0.415 -4.267 15.548 1.00 0.00 C ATOM 1097 C LYS A 74 1.357 -5.469 15.650 1.00 0.00 C ATOM 1098 O LYS A 74 1.906 -5.918 14.646 1.00 0.00 O ATOM 1099 CB LYS A 74 -1.044 -4.601 15.869 1.00 0.00 C ATOM 1100 CG LYS A 74 -1.364 -4.306 17.335 1.00 0.00 C ATOM 1101 CD LYS A 74 -1.990 -2.918 17.492 1.00 0.00 C ATOM 1102 CE LYS A 74 -1.504 -2.239 18.773 1.00 0.00 C ATOM 1103 NZ LYS A 74 -1.087 -0.847 18.497 1.00 0.00 N ATOM 0 H LYS A 74 -0.344 -3.678 13.685 1.00 0.00 H new ATOM 0 HA LYS A 74 0.729 -3.550 16.307 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.704 -4.020 15.225 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.235 -5.653 15.656 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.047 -5.063 17.721 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.452 -4.367 17.929 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.736 -2.301 16.630 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.076 -3.005 17.512 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.299 -2.245 19.519 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.668 -2.798 19.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.760 -0.401 19.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.314 -0.848 17.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.894 -0.312 18.117 1.00 0.00 H new ATOM 1117 N ASP A 75 1.515 -5.954 16.873 1.00 0.00 N ATOM 1118 CA ASP A 75 2.381 -7.095 17.120 1.00 0.00 C ATOM 1119 C ASP A 75 1.711 -8.362 16.585 1.00 0.00 C ATOM 1120 O ASP A 75 2.218 -9.466 16.782 1.00 0.00 O ATOM 1121 CB ASP A 75 2.627 -7.285 18.618 1.00 0.00 C ATOM 1122 CG ASP A 75 4.055 -7.688 18.991 1.00 0.00 C ATOM 1123 OD1 ASP A 75 4.975 -6.927 18.620 1.00 0.00 O ATOM 1124 OD2 ASP A 75 4.194 -8.748 19.639 1.00 0.00 O ATOM 0 H ASP A 75 1.058 -5.578 17.704 1.00 0.00 H new ATOM 0 HA ASP A 75 3.332 -6.913 16.619 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.381 -6.356 19.132 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.941 -8.046 18.990 1.00 0.00 H new ATOM 1129 N PHE A 76 0.584 -8.162 15.920 1.00 0.00 N ATOM 1130 CA PHE A 76 -0.161 -9.276 15.356 1.00 0.00 C ATOM 1131 C PHE A 76 0.018 -9.342 13.838 1.00 0.00 C ATOM 1132 O PHE A 76 -0.048 -10.419 13.248 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.637 -9.035 15.674 1.00 0.00 C ATOM 1134 CG PHE A 76 -2.050 -9.468 17.082 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -2.208 -10.789 17.367 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -2.257 -8.534 18.048 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -2.591 -11.192 18.674 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -2.641 -8.937 19.355 1.00 0.00 C ATOM 1139 CZ PHE A 76 -2.799 -10.257 19.640 1.00 0.00 C ATOM 0 H PHE A 76 0.167 -7.245 15.758 1.00 0.00 H new ATOM 0 HA PHE A 76 0.197 -10.215 15.778 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.855 -7.974 15.553 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.247 -9.571 14.947 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.042 -11.531 16.600 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.130 -7.486 17.822 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.717 -12.240 18.901 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.807 -8.195 20.122 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.090 -10.563 20.634 1.00 0.00 H new ATOM 1149 N ALA A 77 0.241 -8.176 13.249 1.00 0.00 N ATOM 1150 CA ALA A 77 0.429 -8.087 11.811 1.00 0.00 C ATOM 1151 C ALA A 77 1.720 -8.810 11.426 1.00 0.00 C ATOM 1152 O ALA A 77 1.682 -9.929 10.915 1.00 0.00 O ATOM 1153 CB ALA A 77 0.434 -6.618 11.387 1.00 0.00 C ATOM 0 H ALA A 77 0.296 -7.285 13.742 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.392 -8.574 11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.575 -6.551 10.308 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.516 -6.158 11.658 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.247 -6.096 11.892 1.00 0.00 H new ATOM 1159 N MET A 78 2.834 -8.142 11.683 1.00 0.00 N ATOM 1160 CA MET A 78 4.135 -8.706 11.368 1.00 0.00 C ATOM 1161 C MET A 78 4.509 -9.810 12.360 1.00 0.00 C ATOM 1162 O MET A 78 5.649 -9.877 12.819 1.00 0.00 O ATOM 1163 CB MET A 78 5.195 -7.603 11.410 1.00 0.00 C ATOM 1164 CG MET A 78 5.649 -7.332 12.846 1.00 0.00 C ATOM 1165 SD MET A 78 4.230 -7.223 13.924 1.00 0.00 S ATOM 1166 CE MET A 78 4.739 -8.338 15.220 1.00 0.00 C ATOM 0 H MET A 78 2.863 -7.214 12.106 1.00 0.00 H new ATOM 0 HA MET A 78 4.089 -9.140 10.369 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.052 -7.894 10.803 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.791 -6.689 10.974 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.312 -8.129 13.183 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.219 -6.404 12.887 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.885 -8.933 15.544 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.520 -8.999 14.845 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.123 -7.764 16.063 1.00 0.00 H new ATOM 1176 N LYS A 79 3.527 -10.647 12.662 1.00 0.00 N ATOM 1177 CA LYS A 79 3.738 -11.744 13.591 1.00 0.00 C ATOM 1178 C LYS A 79 2.936 -12.961 13.126 1.00 0.00 C ATOM 1179 O LYS A 79 3.493 -14.041 12.938 1.00 0.00 O ATOM 1180 CB LYS A 79 3.417 -11.304 15.021 1.00 0.00 C ATOM 1181 CG LYS A 79 3.048 -12.505 15.894 1.00 0.00 C ATOM 1182 CD LYS A 79 1.535 -12.585 16.107 1.00 0.00 C ATOM 1183 CE LYS A 79 1.107 -14.007 16.473 1.00 0.00 C ATOM 1184 NZ LYS A 79 -0.312 -14.230 16.117 1.00 0.00 N ATOM 0 H LYS A 79 2.583 -10.587 12.280 1.00 0.00 H new ATOM 0 HA LYS A 79 4.787 -12.039 13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.277 -10.789 15.449 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.593 -10.591 15.010 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.402 -13.423 15.424 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.551 -12.426 16.858 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.239 -11.897 16.899 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.019 -12.268 15.200 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.736 -14.728 15.951 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.250 -14.173 17.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.706 -14.983 16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.849 -13.352 16.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.379 -14.512 15.118 1.00 0.00 H new ATOM 1198 N HIS A 80 1.640 -12.745 12.955 1.00 0.00 N ATOM 1199 CA HIS A 80 0.756 -13.811 12.516 1.00 0.00 C ATOM 1200 C HIS A 80 1.097 -14.200 11.077 1.00 0.00 C ATOM 1201 O HIS A 80 0.549 -15.166 10.545 1.00 0.00 O ATOM 1202 CB HIS A 80 -0.710 -13.408 12.690 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.262 -12.595 11.543 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.497 -11.691 10.828 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.511 -12.560 10.996 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.261 -11.143 9.894 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.510 -11.681 10.000 1.00 0.00 N ATOM 0 H HIS A 80 1.181 -11.848 13.113 1.00 0.00 H new ATOM 0 HA HIS A 80 0.906 -14.693 13.139 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.313 -14.309 12.807 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.812 -12.834 13.611 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.488 -11.482 10.992 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.358 -13.148 11.318 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.949 -10.400 9.175 1.00 0.00 H new ATOM 1216 N GLY A 81 1.999 -13.432 10.486 1.00 0.00 N ATOM 1217 CA GLY A 81 2.420 -13.685 9.120 1.00 0.00 C ATOM 1218 C GLY A 81 3.855 -13.202 8.889 1.00 0.00 C ATOM 1219 O GLY A 81 4.150 -12.590 7.864 1.00 0.00 O ATOM 0 H GLY A 81 2.451 -12.632 10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.353 -14.752 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.746 -13.179 8.429 1.00 0.00 H new ATOM 1223 N ALA A 82 4.706 -13.496 9.859 1.00 0.00 N ATOM 1224 CA ALA A 82 6.102 -13.101 9.776 1.00 0.00 C ATOM 1225 C ALA A 82 6.990 -14.307 10.085 1.00 0.00 C ATOM 1226 O ALA A 82 6.568 -15.232 10.778 1.00 0.00 O ATOM 1227 CB ALA A 82 6.359 -11.929 10.725 1.00 0.00 C ATOM 0 H ALA A 82 4.456 -14.004 10.708 1.00 0.00 H new ATOM 0 HA ALA A 82 6.345 -12.764 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.406 -11.633 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.727 -11.087 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.128 -12.231 11.747 1.00 0.00 H new ATOM 1233 N ASP A 83 8.204 -14.259 9.557 1.00 0.00 N ATOM 1234 CA ASP A 83 9.155 -15.338 9.767 1.00 0.00 C ATOM 1235 C ASP A 83 10.080 -14.976 10.931 1.00 0.00 C ATOM 1236 O ASP A 83 10.439 -13.812 11.104 1.00 0.00 O ATOM 1237 CB ASP A 83 10.021 -15.559 8.526 1.00 0.00 C ATOM 1238 CG ASP A 83 9.939 -14.451 7.475 1.00 0.00 C ATOM 1239 OD1 ASP A 83 8.796 -14.072 7.135 1.00 0.00 O ATOM 1240 OD2 ASP A 83 11.022 -14.006 7.034 1.00 0.00 O ATOM 0 H ASP A 83 8.551 -13.490 8.984 1.00 0.00 H new ATOM 0 HA ASP A 83 8.592 -16.247 9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.059 -15.665 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.731 -16.502 8.062 1.00 0.00 H new ATOM 1245 N GLU A 84 10.439 -15.994 11.699 1.00 0.00 N ATOM 1246 CA GLU A 84 11.317 -15.797 12.840 1.00 0.00 C ATOM 1247 C GLU A 84 12.495 -14.901 12.457 1.00 0.00 C ATOM 1248 O GLU A 84 13.004 -14.149 13.287 1.00 0.00 O ATOM 1249 CB GLU A 84 11.804 -17.138 13.394 1.00 0.00 C ATOM 1250 CG GLU A 84 10.940 -17.591 14.573 1.00 0.00 C ATOM 1251 CD GLU A 84 10.772 -19.112 14.577 1.00 0.00 C ATOM 1252 OE1 GLU A 84 11.797 -19.796 14.369 1.00 0.00 O ATOM 1253 OE2 GLU A 84 9.623 -19.555 14.786 1.00 0.00 O ATOM 0 H GLU A 84 10.138 -16.958 11.554 1.00 0.00 H new ATOM 0 HA GLU A 84 10.751 -15.300 13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.776 -17.892 12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.842 -17.048 13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.398 -17.270 15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.962 -17.114 14.516 1.00 0.00 H new ATOM 1260 N THR A 85 12.895 -15.010 11.198 1.00 0.00 N ATOM 1261 CA THR A 85 14.005 -14.219 10.695 1.00 0.00 C ATOM 1262 C THR A 85 13.574 -12.764 10.493 1.00 0.00 C ATOM 1263 O THR A 85 14.315 -11.841 10.827 1.00 0.00 O ATOM 1264 CB THR A 85 14.518 -14.884 9.415 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.799 -14.296 9.208 1.00 0.00 O ATOM 1266 CG2 THR A 85 13.715 -14.473 8.179 1.00 0.00 C ATOM 0 H THR A 85 12.470 -15.634 10.512 1.00 0.00 H new ATOM 0 HA THR A 85 14.825 -14.186 11.413 1.00 0.00 H new ATOM 0 HB THR A 85 14.480 -15.967 9.529 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.204 -14.672 8.399 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.120 -14.973 7.299 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.672 -14.760 8.311 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.780 -13.393 8.045 1.00 0.00 H new ATOM 1274 N MET A 86 12.378 -12.606 9.945 1.00 0.00 N ATOM 1275 CA MET A 86 11.840 -11.280 9.693 1.00 0.00 C ATOM 1276 C MET A 86 11.837 -10.438 10.972 1.00 0.00 C ATOM 1277 O MET A 86 11.842 -9.209 10.910 1.00 0.00 O ATOM 1278 CB MET A 86 10.411 -11.401 9.159 1.00 0.00 C ATOM 1279 CG MET A 86 9.392 -11.328 10.298 1.00 0.00 C ATOM 1280 SD MET A 86 8.857 -9.641 10.531 1.00 0.00 S ATOM 1281 CE MET A 86 8.829 -9.567 12.313 1.00 0.00 C ATOM 0 H MET A 86 11.767 -13.374 9.669 1.00 0.00 H new ATOM 0 HA MET A 86 12.472 -10.786 8.955 1.00 0.00 H new ATOM 0 HB2 MET A 86 10.218 -10.603 8.442 1.00 0.00 H new ATOM 0 HB3 MET A 86 10.297 -12.344 8.624 1.00 0.00 H new ATOM 0 HG2 MET A 86 8.535 -11.962 10.071 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.835 -11.708 11.218 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.807 -9.402 12.654 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.201 -10.506 12.722 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.462 -8.747 12.653 1.00 0.00 H new ATOM 1291 N ALA A 87 11.830 -11.133 12.099 1.00 0.00 N ATOM 1292 CA ALA A 87 11.827 -10.465 13.389 1.00 0.00 C ATOM 1293 C ALA A 87 13.073 -9.585 13.507 1.00 0.00 C ATOM 1294 O ALA A 87 12.971 -8.395 13.795 1.00 0.00 O ATOM 1295 CB ALA A 87 11.742 -11.508 14.505 1.00 0.00 C ATOM 0 H ALA A 87 11.826 -12.152 12.146 1.00 0.00 H new ATOM 0 HA ALA A 87 10.956 -9.817 13.482 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.740 -11.006 15.473 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.824 -12.086 14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.601 -12.176 14.445 1.00 0.00 H new ATOM 1301 N GLN A 88 14.220 -10.207 13.277 1.00 0.00 N ATOM 1302 CA GLN A 88 15.485 -9.495 13.354 1.00 0.00 C ATOM 1303 C GLN A 88 15.865 -8.942 11.979 1.00 0.00 C ATOM 1304 O GLN A 88 16.290 -7.792 11.865 1.00 0.00 O ATOM 1305 CB GLN A 88 16.590 -10.397 13.906 1.00 0.00 C ATOM 1306 CG GLN A 88 17.959 -9.729 13.778 1.00 0.00 C ATOM 1307 CD GLN A 88 18.881 -10.537 12.861 1.00 0.00 C ATOM 1308 OE1 GLN A 88 18.596 -10.419 11.567 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 19.789 -11.224 13.300 1.00 0.00 N flip ATOM 0 H GLN A 88 14.300 -11.195 13.037 1.00 0.00 H new ATOM 0 HA GLN A 88 15.368 -8.658 14.042 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.389 -10.625 14.953 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.593 -11.345 13.368 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.840 -8.720 13.382 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.414 -9.633 14.764 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.953 -11.270 14.306 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.384 -11.752 12.661 1.00 0.00 H new ATOM 1318 N GLN A 89 15.700 -9.783 10.970 1.00 0.00 N ATOM 1319 CA GLN A 89 16.021 -9.393 9.608 1.00 0.00 C ATOM 1320 C GLN A 89 15.518 -7.976 9.330 1.00 0.00 C ATOM 1321 O GLN A 89 16.303 -7.088 8.996 1.00 0.00 O ATOM 1322 CB GLN A 89 15.442 -10.389 8.601 1.00 0.00 C ATOM 1323 CG GLN A 89 16.283 -11.664 8.545 1.00 0.00 C ATOM 1324 CD GLN A 89 17.729 -11.351 8.153 1.00 0.00 C ATOM 1325 OE1 GLN A 89 17.875 -10.961 6.889 1.00 0.00 O flip ATOM 1326 NE2 GLN A 89 18.651 -11.455 8.945 1.00 0.00 N flip ATOM 0 H GLN A 89 15.347 -10.735 11.068 1.00 0.00 H new ATOM 0 HA GLN A 89 17.105 -9.402 9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.417 -10.637 8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.403 -9.931 7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.265 -12.159 9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.850 -12.358 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.470 -11.760 9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.603 -11.237 8.651 1.00 0.00 H new ATOM 1335 N LEU A 90 14.213 -7.805 9.478 1.00 0.00 N ATOM 1336 CA LEU A 90 13.595 -6.511 9.246 1.00 0.00 C ATOM 1337 C LEU A 90 14.431 -5.423 9.926 1.00 0.00 C ATOM 1338 O LEU A 90 14.708 -4.385 9.329 1.00 0.00 O ATOM 1339 CB LEU A 90 12.131 -6.528 9.690 1.00 0.00 C ATOM 1340 CG LEU A 90 11.116 -6.971 8.634 1.00 0.00 C ATOM 1341 CD1 LEU A 90 11.520 -8.310 8.013 1.00 0.00 C ATOM 1342 CD2 LEU A 90 9.702 -7.014 9.216 1.00 0.00 C ATOM 0 H LEU A 90 13.566 -8.542 9.756 1.00 0.00 H new ATOM 0 HA LEU A 90 13.578 -6.283 8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.041 -7.189 10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.862 -5.527 10.027 1.00 0.00 H new ATOM 0 HG LEU A 90 11.112 -6.232 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.782 -8.602 7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.497 -8.211 7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.570 -9.072 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.001 -7.332 8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.672 -7.719 10.047 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.425 -6.022 9.572 1.00 0.00 H new ATOM 1354 N VAL A 91 14.809 -5.701 11.165 1.00 0.00 N ATOM 1355 CA VAL A 91 15.606 -4.760 11.934 1.00 0.00 C ATOM 1356 C VAL A 91 16.840 -4.361 11.120 1.00 0.00 C ATOM 1357 O VAL A 91 17.493 -3.365 11.425 1.00 0.00 O ATOM 1358 CB VAL A 91 15.958 -5.360 13.296 1.00 0.00 C ATOM 1359 CG1 VAL A 91 16.458 -4.282 14.259 1.00 0.00 C ATOM 1360 CG2 VAL A 91 14.763 -6.112 13.888 1.00 0.00 C ATOM 0 H VAL A 91 14.578 -6.565 11.656 1.00 0.00 H new ATOM 0 HA VAL A 91 15.037 -3.851 12.132 1.00 0.00 H new ATOM 0 HB VAL A 91 16.766 -6.076 13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.701 -4.736 15.219 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.349 -3.810 13.845 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.681 -3.531 14.399 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.039 -6.529 14.856 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.927 -5.424 14.014 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.471 -6.919 13.215 1.00 0.00 H new ATOM 1370 N ASP A 92 17.121 -5.160 10.101 1.00 0.00 N ATOM 1371 CA ASP A 92 18.262 -4.903 9.242 1.00 0.00 C ATOM 1372 C ASP A 92 17.921 -3.773 8.268 1.00 0.00 C ATOM 1373 O ASP A 92 18.464 -2.675 8.372 1.00 0.00 O ATOM 1374 CB ASP A 92 18.623 -6.141 8.418 1.00 0.00 C ATOM 1375 CG ASP A 92 18.838 -7.419 9.233 1.00 0.00 C ATOM 1376 OD1 ASP A 92 18.658 -7.342 10.468 1.00 0.00 O ATOM 1377 OD2 ASP A 92 19.179 -8.443 8.603 1.00 0.00 O ATOM 0 H ASP A 92 16.577 -5.986 9.852 1.00 0.00 H new ATOM 0 HA ASP A 92 19.105 -4.633 9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.830 -6.320 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 92 19.531 -5.931 7.853 1.00 0.00 H new ATOM 1382 N ILE A 93 17.021 -4.081 7.346 1.00 0.00 N ATOM 1383 CA ILE A 93 16.600 -3.106 6.356 1.00 0.00 C ATOM 1384 C ILE A 93 15.829 -1.980 7.050 1.00 0.00 C ATOM 1385 O ILE A 93 16.088 -0.803 6.804 1.00 0.00 O ATOM 1386 CB ILE A 93 15.815 -3.786 5.233 1.00 0.00 C ATOM 1387 CG1 ILE A 93 14.311 -3.735 5.507 1.00 0.00 C ATOM 1388 CG2 ILE A 93 16.307 -5.217 5.008 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.897 -4.817 6.506 1.00 0.00 C ATOM 0 H ILE A 93 16.572 -4.993 7.264 1.00 0.00 H new ATOM 0 HA ILE A 93 17.468 -2.652 5.877 1.00 0.00 H new ATOM 0 HB ILE A 93 15.994 -3.235 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 93 14.042 -2.753 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.763 -3.868 4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.732 -5.677 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 93 17.362 -5.200 4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 93 16.178 -5.794 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.823 -4.758 6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.145 -5.799 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 93 14.428 -4.667 7.446 1.00 0.00 H new ATOM 1401 N ILE A 94 14.902 -2.383 7.905 1.00 0.00 N ATOM 1402 CA ILE A 94 14.093 -1.423 8.637 1.00 0.00 C ATOM 1403 C ILE A 94 15.008 -0.407 9.322 1.00 0.00 C ATOM 1404 O ILE A 94 14.593 0.714 9.610 1.00 0.00 O ATOM 1405 CB ILE A 94 13.146 -2.143 9.599 1.00 0.00 C ATOM 1406 CG1 ILE A 94 12.232 -3.112 8.846 1.00 0.00 C ATOM 1407 CG2 ILE A 94 12.351 -1.142 10.439 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.809 -3.072 9.406 1.00 0.00 C ATOM 0 H ILE A 94 14.693 -3.360 8.108 1.00 0.00 H new ATOM 0 HA ILE A 94 13.453 -0.866 7.953 1.00 0.00 H new ATOM 0 HB ILE A 94 13.747 -2.736 10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.217 -2.855 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.628 -4.125 8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.686 -1.681 11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.039 -0.528 11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.761 -0.503 9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.181 -3.770 8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.824 -3.354 10.459 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.407 -2.064 9.306 1.00 0.00 H new ATOM 1420 N HIS A 95 16.238 -0.836 9.564 1.00 0.00 N ATOM 1421 CA HIS A 95 17.218 0.021 10.210 1.00 0.00 C ATOM 1422 C HIS A 95 17.745 1.046 9.203 1.00 0.00 C ATOM 1423 O HIS A 95 18.082 2.170 9.574 1.00 0.00 O ATOM 1424 CB HIS A 95 18.331 -0.810 10.849 1.00 0.00 C ATOM 1425 CG HIS A 95 18.163 -1.023 12.335 1.00 0.00 C ATOM 1426 ND1 HIS A 95 19.207 -0.892 13.234 1.00 0.00 N ATOM 1427 CD2 HIS A 95 17.062 -1.358 13.069 1.00 0.00 C ATOM 1428 CE1 HIS A 95 18.744 -1.140 14.451 1.00 0.00 C ATOM 1429 NE2 HIS A 95 17.415 -1.429 14.346 1.00 0.00 N ATOM 0 H HIS A 95 16.579 -1.767 9.324 1.00 0.00 H new ATOM 0 HA HIS A 95 16.745 0.572 11.023 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.374 -1.781 10.356 1.00 0.00 H new ATOM 0 HB3 HIS A 95 19.287 -0.318 10.669 1.00 0.00 H new ATOM 0 HD2 HIS A 95 16.071 -1.535 12.677 1.00 0.00 H new ATOM 0 HE1 HIS A 95 19.318 -1.117 15.365 1.00 0.00 H new ATOM 0 HE2 HIS A 95 16.795 -1.661 15.122 1.00 0.00 H new ATOM 1438 N GLY A 96 17.802 0.621 7.951 1.00 0.00 N ATOM 1439 CA GLY A 96 18.284 1.487 6.888 1.00 0.00 C ATOM 1440 C GLY A 96 17.139 2.298 6.279 1.00 0.00 C ATOM 1441 O GLY A 96 17.364 3.354 5.693 1.00 0.00 O ATOM 0 H GLY A 96 17.523 -0.312 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.044 2.163 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.761 0.887 6.113 1.00 0.00 H new ATOM 1445 N CYS A 97 15.933 1.770 6.439 1.00 0.00 N ATOM 1446 CA CYS A 97 14.751 2.432 5.912 1.00 0.00 C ATOM 1447 C CYS A 97 14.247 3.423 6.963 1.00 0.00 C ATOM 1448 O CYS A 97 14.245 4.631 6.733 1.00 0.00 O ATOM 1449 CB CYS A 97 13.671 1.425 5.513 1.00 0.00 C ATOM 1450 SG CYS A 97 13.610 1.033 3.725 1.00 0.00 S ATOM 0 H CYS A 97 15.750 0.892 6.926 1.00 0.00 H new ATOM 0 HA CYS A 97 15.008 2.971 5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.833 0.501 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.700 1.815 5.819 1.00 0.00 H new ATOM 1455 N GLU A 98 13.830 2.875 8.095 1.00 0.00 N ATOM 1456 CA GLU A 98 13.325 3.696 9.183 1.00 0.00 C ATOM 1457 C GLU A 98 14.247 4.895 9.415 1.00 0.00 C ATOM 1458 O GLU A 98 13.781 5.984 9.747 1.00 0.00 O ATOM 1459 CB GLU A 98 13.164 2.872 10.463 1.00 0.00 C ATOM 1460 CG GLU A 98 12.166 3.531 11.416 1.00 0.00 C ATOM 1461 CD GLU A 98 12.791 3.753 12.796 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.503 4.769 12.939 1.00 0.00 O ATOM 1463 OE2 GLU A 98 12.540 2.901 13.676 1.00 0.00 O ATOM 0 H GLU A 98 13.831 1.872 8.283 1.00 0.00 H new ATOM 0 HA GLU A 98 12.339 4.069 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.824 1.867 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.130 2.768 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.839 4.485 11.003 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.279 2.904 11.511 1.00 0.00 H new ATOM 1470 N LYS A 99 15.536 4.654 9.231 1.00 0.00 N ATOM 1471 CA LYS A 99 16.526 5.701 9.417 1.00 0.00 C ATOM 1472 C LYS A 99 16.423 6.704 8.266 1.00 0.00 C ATOM 1473 O LYS A 99 16.694 7.892 8.447 1.00 0.00 O ATOM 1474 CB LYS A 99 17.922 5.096 9.581 1.00 0.00 C ATOM 1475 CG LYS A 99 18.472 4.616 8.236 1.00 0.00 C ATOM 1476 CD LYS A 99 19.996 4.472 8.286 1.00 0.00 C ATOM 1477 CE LYS A 99 20.598 4.527 6.881 1.00 0.00 C ATOM 1478 NZ LYS A 99 22.005 4.984 6.939 1.00 0.00 N ATOM 0 H LYS A 99 15.918 3.749 8.955 1.00 0.00 H new ATOM 0 HA LYS A 99 16.331 6.250 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.596 5.838 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.881 4.261 10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.021 3.658 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.195 5.322 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.420 5.268 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.260 3.528 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.548 3.541 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.015 5.203 6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.400 5.016 5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.044 5.934 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.561 4.324 7.519 1.00 0.00 H new ATOM 1492 N SER A 100 16.030 6.193 7.109 1.00 0.00 N ATOM 1493 CA SER A 100 15.887 7.028 5.931 1.00 0.00 C ATOM 1494 C SER A 100 14.433 7.479 5.780 1.00 0.00 C ATOM 1495 O SER A 100 14.119 8.301 4.921 1.00 0.00 O ATOM 1496 CB SER A 100 16.347 6.289 4.672 1.00 0.00 C ATOM 1497 OG SER A 100 17.395 6.980 3.998 1.00 0.00 O ATOM 0 H SER A 100 15.806 5.209 6.963 1.00 0.00 H new ATOM 0 HA SER A 100 16.521 7.906 6.057 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.688 5.290 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.501 6.165 3.996 1.00 0.00 H new ATOM 0 HG SER A 100 17.873 6.357 3.411 1.00 0.00 H new ATOM 1503 N ALA A 101 13.584 6.920 6.631 1.00 0.00 N ATOM 1504 CA ALA A 101 12.170 7.253 6.604 1.00 0.00 C ATOM 1505 C ALA A 101 11.785 7.934 7.920 1.00 0.00 C ATOM 1506 O ALA A 101 11.279 7.284 8.833 1.00 0.00 O ATOM 1507 CB ALA A 101 11.352 5.988 6.340 1.00 0.00 C ATOM 0 H ALA A 101 13.849 6.239 7.343 1.00 0.00 H new ATOM 0 HA ALA A 101 11.956 7.953 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.291 6.238 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.642 5.561 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.539 5.262 7.132 1.00 0.00 H new ATOM 1513 N PRO A 102 12.048 9.266 7.977 1.00 0.00 N ATOM 1514 CA PRO A 102 11.735 10.041 9.165 1.00 0.00 C ATOM 1515 C PRO A 102 10.231 10.298 9.272 1.00 0.00 C ATOM 1516 O PRO A 102 9.470 9.937 8.375 1.00 0.00 O ATOM 1517 CB PRO A 102 12.547 11.319 9.027 1.00 0.00 C ATOM 1518 CG PRO A 102 12.920 11.419 7.557 1.00 0.00 C ATOM 1519 CD PRO A 102 12.648 10.068 6.914 1.00 0.00 C ATOM 0 HA PRO A 102 11.992 9.519 10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.967 12.186 9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.438 11.286 9.655 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.337 12.199 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.970 11.690 7.447 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.975 10.163 6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.567 9.613 6.545 1.00 0.00 H new ATOM 1527 N PRO A 103 9.836 10.933 10.407 1.00 0.00 N ATOM 1528 CA PRO A 103 8.435 11.242 10.643 1.00 0.00 C ATOM 1529 C PRO A 103 7.982 12.423 9.781 1.00 0.00 C ATOM 1530 O PRO A 103 7.306 13.329 10.268 1.00 0.00 O ATOM 1531 CB PRO A 103 8.340 11.525 12.135 1.00 0.00 C ATOM 1532 CG PRO A 103 9.759 11.819 12.593 1.00 0.00 C ATOM 1533 CD PRO A 103 10.708 11.375 11.492 1.00 0.00 C ATOM 0 HA PRO A 103 7.771 10.424 10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.683 12.372 12.331 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.926 10.670 12.669 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.881 12.883 12.796 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.977 11.290 13.521 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.354 12.193 11.173 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.358 10.569 11.831 1.00 0.00 H new ATOM 1541 N ASN A 104 8.371 12.375 8.516 1.00 0.00 N ATOM 1542 CA ASN A 104 8.013 13.428 7.582 1.00 0.00 C ATOM 1543 C ASN A 104 6.490 13.483 7.441 1.00 0.00 C ATOM 1544 O ASN A 104 5.823 12.449 7.467 1.00 0.00 O ATOM 1545 CB ASN A 104 8.606 13.163 6.197 1.00 0.00 C ATOM 1546 CG ASN A 104 9.443 14.353 5.722 1.00 0.00 C ATOM 1547 OD1 ASN A 104 8.980 15.478 5.643 1.00 0.00 O ATOM 1548 ND2 ASN A 104 10.698 14.042 5.413 1.00 0.00 N ATOM 0 H ASN A 104 8.931 11.622 8.116 1.00 0.00 H new ATOM 0 HA ASN A 104 8.407 14.368 7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.226 12.267 6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 104 7.804 12.971 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.337 14.767 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.021 13.079 5.502 1.00 0.00 H new ATOM 1555 N ASP A 105 5.984 14.699 7.295 1.00 0.00 N ATOM 1556 CA ASP A 105 4.552 14.901 7.148 1.00 0.00 C ATOM 1557 C ASP A 105 4.043 14.075 5.966 1.00 0.00 C ATOM 1558 O ASP A 105 2.851 13.785 5.874 1.00 0.00 O ATOM 1559 CB ASP A 105 4.228 16.371 6.875 1.00 0.00 C ATOM 1560 CG ASP A 105 4.867 17.365 7.846 1.00 0.00 C ATOM 1561 OD1 ASP A 105 4.487 17.320 9.036 1.00 0.00 O ATOM 1562 OD2 ASP A 105 5.721 18.149 7.376 1.00 0.00 O ATOM 0 H ASP A 105 6.540 15.554 7.275 1.00 0.00 H new ATOM 0 HA ASP A 105 4.071 14.593 8.076 1.00 0.00 H new ATOM 0 HB2 ASP A 105 4.550 16.617 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.146 16.501 6.905 1.00 0.00 H new ATOM 1567 N ASP A 106 4.971 13.722 5.089 1.00 0.00 N ATOM 1568 CA ASP A 106 4.631 12.936 3.914 1.00 0.00 C ATOM 1569 C ASP A 106 4.565 11.457 4.297 1.00 0.00 C ATOM 1570 O ASP A 106 4.855 10.587 3.478 1.00 0.00 O ATOM 1571 CB ASP A 106 5.687 13.096 2.819 1.00 0.00 C ATOM 1572 CG ASP A 106 6.170 14.528 2.590 1.00 0.00 C ATOM 1573 OD1 ASP A 106 6.779 15.079 3.531 1.00 0.00 O ATOM 1574 OD2 ASP A 106 5.918 15.042 1.478 1.00 0.00 O ATOM 0 H ASP A 106 5.958 13.966 5.168 1.00 0.00 H new ATOM 0 HA ASP A 106 3.669 13.287 3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.547 12.475 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.280 12.712 1.884 1.00 0.00 H new ATOM 1579 N LYS A 107 4.183 11.217 5.543 1.00 0.00 N ATOM 1580 CA LYS A 107 4.076 9.859 6.045 1.00 0.00 C ATOM 1581 C LYS A 107 3.461 8.967 4.964 1.00 0.00 C ATOM 1582 O LYS A 107 3.722 7.766 4.923 1.00 0.00 O ATOM 1583 CB LYS A 107 3.312 9.835 7.370 1.00 0.00 C ATOM 1584 CG LYS A 107 1.864 9.387 7.161 1.00 0.00 C ATOM 1585 CD LYS A 107 1.103 9.353 8.488 1.00 0.00 C ATOM 1586 CE LYS A 107 -0.376 9.686 8.281 1.00 0.00 C ATOM 1587 NZ LYS A 107 -1.014 10.035 9.569 1.00 0.00 N ATOM 0 H LYS A 107 3.944 11.942 6.220 1.00 0.00 H new ATOM 0 HA LYS A 107 5.064 9.457 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.808 9.160 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.328 10.827 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.366 10.066 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.848 8.398 6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.197 8.366 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.546 10.066 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.473 10.518 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.888 8.834 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.017 10.258 9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.938 9.230 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.536 10.862 9.980 1.00 0.00 H new ATOM 1601 N CYS A 108 2.655 9.590 4.117 1.00 0.00 N ATOM 1602 CA CYS A 108 2.001 8.868 3.040 1.00 0.00 C ATOM 1603 C CYS A 108 3.080 8.296 2.118 1.00 0.00 C ATOM 1604 O CYS A 108 3.078 7.103 1.820 1.00 0.00 O ATOM 1605 CB CYS A 108 1.015 9.758 2.279 1.00 0.00 C ATOM 1606 SG CYS A 108 0.403 9.054 0.705 1.00 0.00 S ATOM 0 H CYS A 108 2.440 10.586 4.155 1.00 0.00 H new ATOM 0 HA CYS A 108 1.409 8.052 3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 108 0.161 9.965 2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 108 1.496 10.714 2.071 1.00 0.00 H new ATOM 1611 N MET A 109 3.978 9.175 1.695 1.00 0.00 N ATOM 1612 CA MET A 109 5.061 8.770 0.815 1.00 0.00 C ATOM 1613 C MET A 109 6.298 8.363 1.618 1.00 0.00 C ATOM 1614 O MET A 109 7.235 7.784 1.071 1.00 0.00 O ATOM 1615 CB MET A 109 5.417 9.929 -0.120 1.00 0.00 C ATOM 1616 CG MET A 109 6.359 10.919 0.569 1.00 0.00 C ATOM 1617 SD MET A 109 8.056 10.507 0.197 1.00 0.00 S ATOM 1618 CE MET A 109 8.854 11.128 1.668 1.00 0.00 C ATOM 0 H MET A 109 3.977 10.164 1.945 1.00 0.00 H new ATOM 0 HA MET A 109 4.730 7.909 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.888 9.541 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.507 10.443 -0.431 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.141 11.934 0.235 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.199 10.896 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.847 11.498 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.261 11.940 2.089 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.942 10.326 2.401 1.00 0.00 H new ATOM 1628 N LYS A 110 6.261 8.683 2.903 1.00 0.00 N ATOM 1629 CA LYS A 110 7.368 8.358 3.787 1.00 0.00 C ATOM 1630 C LYS A 110 7.138 6.974 4.396 1.00 0.00 C ATOM 1631 O LYS A 110 7.874 6.032 4.100 1.00 0.00 O ATOM 1632 CB LYS A 110 7.564 9.462 4.829 1.00 0.00 C ATOM 1633 CG LYS A 110 8.403 8.962 6.005 1.00 0.00 C ATOM 1634 CD LYS A 110 7.529 8.712 7.236 1.00 0.00 C ATOM 1635 CE LYS A 110 8.168 7.673 8.161 1.00 0.00 C ATOM 1636 NZ LYS A 110 7.694 7.855 9.550 1.00 0.00 N ATOM 0 H LYS A 110 5.482 9.164 3.353 1.00 0.00 H new ATOM 0 HA LYS A 110 8.302 8.310 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.053 10.320 4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.594 9.804 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.915 8.041 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.173 9.695 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.383 9.646 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.543 8.368 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.922 6.669 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.254 7.765 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.489 8.151 10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.953 8.585 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.306 6.958 9.905 1.00 0.00 H new ATOM 1650 N THR A 111 6.115 6.891 5.234 1.00 0.00 N ATOM 1651 CA THR A 111 5.780 5.636 5.886 1.00 0.00 C ATOM 1652 C THR A 111 5.915 4.472 4.903 1.00 0.00 C ATOM 1653 O THR A 111 6.481 3.433 5.238 1.00 0.00 O ATOM 1654 CB THR A 111 4.377 5.773 6.478 1.00 0.00 C ATOM 1655 OG1 THR A 111 4.409 7.022 7.164 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.106 4.748 7.583 1.00 0.00 C ATOM 0 H THR A 111 5.507 7.673 5.477 1.00 0.00 H new ATOM 0 HA THR A 111 6.471 5.414 6.699 1.00 0.00 H new ATOM 0 HB THR A 111 3.636 5.659 5.686 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.795 6.992 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.097 4.888 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.202 3.741 7.177 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.826 4.884 8.390 1.00 0.00 H new ATOM 1664 N ILE A 112 5.384 4.684 3.706 1.00 0.00 N ATOM 1665 CA ILE A 112 5.437 3.665 2.673 1.00 0.00 C ATOM 1666 C ILE A 112 6.860 3.110 2.582 1.00 0.00 C ATOM 1667 O ILE A 112 7.056 1.897 2.547 1.00 0.00 O ATOM 1668 CB ILE A 112 4.907 4.218 1.348 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.685 3.093 0.334 1.00 0.00 C ATOM 1670 CG2 ILE A 112 5.829 5.310 0.802 1.00 0.00 C ATOM 1671 CD1 ILE A 112 6.015 2.607 -0.245 1.00 0.00 C ATOM 0 H ILE A 112 4.915 5.547 3.430 1.00 0.00 H new ATOM 0 HA ILE A 112 4.785 2.830 2.928 1.00 0.00 H new ATOM 0 HB ILE A 112 3.937 4.680 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.168 2.262 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.041 3.446 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.430 5.686 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.892 6.127 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.824 4.897 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.829 1.808 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.518 3.434 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.647 2.232 0.560 1.00 0.00 H new ATOM 1683 N ASP A 113 7.816 4.026 2.548 1.00 0.00 N ATOM 1684 CA ASP A 113 9.216 3.644 2.462 1.00 0.00 C ATOM 1685 C ASP A 113 9.471 2.449 3.384 1.00 0.00 C ATOM 1686 O ASP A 113 9.992 1.424 2.947 1.00 0.00 O ATOM 1687 CB ASP A 113 10.128 4.788 2.907 1.00 0.00 C ATOM 1688 CG ASP A 113 11.522 4.787 2.279 1.00 0.00 C ATOM 1689 OD1 ASP A 113 12.167 3.717 2.331 1.00 0.00 O ATOM 1690 OD2 ASP A 113 11.912 5.855 1.760 1.00 0.00 O ATOM 0 H ASP A 113 7.649 5.032 2.578 1.00 0.00 H new ATOM 0 HA ASP A 113 9.434 3.393 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.640 5.734 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.235 4.747 3.991 1.00 0.00 H new ATOM 1695 N VAL A 114 9.092 2.622 4.642 1.00 0.00 N ATOM 1696 CA VAL A 114 9.273 1.572 5.628 1.00 0.00 C ATOM 1697 C VAL A 114 8.145 0.546 5.488 1.00 0.00 C ATOM 1698 O VAL A 114 8.402 -0.641 5.291 1.00 0.00 O ATOM 1699 CB VAL A 114 9.359 2.177 7.031 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.425 1.472 7.870 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.624 3.683 6.960 1.00 0.00 C ATOM 0 H VAL A 114 8.660 3.474 5.000 1.00 0.00 H new ATOM 0 HA VAL A 114 10.213 1.048 5.457 1.00 0.00 H new ATOM 0 HB VAL A 114 8.397 2.027 7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.464 1.922 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.176 0.415 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.396 1.575 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.681 4.090 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.566 3.863 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.814 4.170 6.417 1.00 0.00 H new ATOM 1711 N ALA A 115 6.922 1.042 5.597 1.00 0.00 N ATOM 1712 CA ALA A 115 5.754 0.184 5.485 1.00 0.00 C ATOM 1713 C ALA A 115 5.951 -0.788 4.319 1.00 0.00 C ATOM 1714 O ALA A 115 5.344 -1.858 4.291 1.00 0.00 O ATOM 1715 CB ALA A 115 4.501 1.046 5.320 1.00 0.00 C ATOM 0 H ALA A 115 6.714 2.027 5.762 1.00 0.00 H new ATOM 0 HA ALA A 115 5.625 -0.409 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.625 0.403 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.391 1.698 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.593 1.653 4.419 1.00 0.00 H new ATOM 1721 N MET A 116 6.800 -0.382 3.388 1.00 0.00 N ATOM 1722 CA MET A 116 7.084 -1.203 2.224 1.00 0.00 C ATOM 1723 C MET A 116 8.436 -1.904 2.365 1.00 0.00 C ATOM 1724 O MET A 116 8.594 -3.049 1.941 1.00 0.00 O ATOM 1725 CB MET A 116 7.091 -0.327 0.970 1.00 0.00 C ATOM 1726 CG MET A 116 7.418 -1.155 -0.275 1.00 0.00 C ATOM 1727 SD MET A 116 5.962 -1.326 -1.293 1.00 0.00 S ATOM 1728 CE MET A 116 6.705 -1.230 -2.914 1.00 0.00 C ATOM 0 H MET A 116 7.301 0.506 3.416 1.00 0.00 H new ATOM 0 HA MET A 116 6.308 -1.964 2.141 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.118 0.149 0.849 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.825 0.471 1.084 1.00 0.00 H new ATOM 0 HG2 MET A 116 8.215 -0.674 -0.843 1.00 0.00 H new ATOM 0 HG3 MET A 116 7.785 -2.139 0.018 1.00 0.00 H new ATOM 0 HE1 MET A 116 6.087 -1.771 -3.630 1.00 0.00 H new ATOM 0 HE2 MET A 116 6.782 -0.186 -3.218 1.00 0.00 H new ATOM 0 HE3 MET A 116 7.700 -1.674 -2.885 1.00 0.00 H new ATOM 1738 N CYS A 117 9.379 -1.189 2.961 1.00 0.00 N ATOM 1739 CA CYS A 117 10.712 -1.728 3.163 1.00 0.00 C ATOM 1740 C CYS A 117 10.581 -3.197 3.570 1.00 0.00 C ATOM 1741 O CYS A 117 11.176 -4.074 2.946 1.00 0.00 O ATOM 1742 CB CYS A 117 11.500 -0.919 4.194 1.00 0.00 C ATOM 1743 SG CYS A 117 13.320 -1.066 4.061 1.00 0.00 S ATOM 0 H CYS A 117 9.245 -0.240 3.311 1.00 0.00 H new ATOM 0 HA CYS A 117 11.278 -1.659 2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.227 0.132 4.096 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.196 -1.235 5.192 1.00 0.00 H new ATOM 1748 N PHE A 118 9.797 -3.419 4.614 1.00 0.00 N ATOM 1749 CA PHE A 118 9.578 -4.767 5.113 1.00 0.00 C ATOM 1750 C PHE A 118 8.805 -5.609 4.097 1.00 0.00 C ATOM 1751 O PHE A 118 9.044 -6.808 3.969 1.00 0.00 O ATOM 1752 CB PHE A 118 8.749 -4.642 6.392 1.00 0.00 C ATOM 1753 CG PHE A 118 7.986 -5.914 6.766 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.536 -7.134 6.521 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.757 -5.827 7.343 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.829 -8.315 6.868 1.00 0.00 C ATOM 1757 CE2 PHE A 118 6.050 -7.008 7.688 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.600 -8.227 7.445 1.00 0.00 C ATOM 0 H PHE A 118 9.305 -2.689 5.129 1.00 0.00 H new ATOM 0 HA PHE A 118 10.535 -5.256 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.409 -4.371 7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 118 8.037 -3.825 6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.511 -7.204 6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.319 -4.859 7.538 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.267 -9.283 6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.074 -6.938 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.062 -9.125 7.710 1.00 0.00 H new ATOM 1768 N LYS A 119 7.893 -4.947 3.399 1.00 0.00 N ATOM 1769 CA LYS A 119 7.083 -5.619 2.399 1.00 0.00 C ATOM 1770 C LYS A 119 7.965 -6.011 1.212 1.00 0.00 C ATOM 1771 O LYS A 119 7.767 -7.062 0.605 1.00 0.00 O ATOM 1772 CB LYS A 119 5.881 -4.754 2.013 1.00 0.00 C ATOM 1773 CG LYS A 119 4.609 -5.597 1.905 1.00 0.00 C ATOM 1774 CD LYS A 119 3.412 -4.735 1.502 1.00 0.00 C ATOM 1775 CE LYS A 119 2.177 -5.089 2.333 1.00 0.00 C ATOM 1776 NZ LYS A 119 2.057 -4.183 3.497 1.00 0.00 N ATOM 0 H LYS A 119 7.698 -3.952 3.507 1.00 0.00 H new ATOM 0 HA LYS A 119 6.666 -6.541 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.739 -3.970 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.075 -4.259 1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.755 -6.389 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.407 -6.081 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.656 -3.681 1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.196 -4.879 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.282 -5.016 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.245 -6.122 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.214 -4.438 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.903 -4.273 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.970 -3.201 3.165 1.00 0.00 H new ATOM 1790 N LYS A 120 8.922 -5.143 0.916 1.00 0.00 N ATOM 1791 CA LYS A 120 9.836 -5.385 -0.187 1.00 0.00 C ATOM 1792 C LYS A 120 10.570 -6.707 0.045 1.00 0.00 C ATOM 1793 O LYS A 120 10.928 -7.397 -0.907 1.00 0.00 O ATOM 1794 CB LYS A 120 10.769 -4.188 -0.381 1.00 0.00 C ATOM 1795 CG LYS A 120 12.180 -4.505 0.123 1.00 0.00 C ATOM 1796 CD LYS A 120 13.144 -3.362 -0.192 1.00 0.00 C ATOM 1797 CE LYS A 120 13.479 -2.564 1.070 1.00 0.00 C ATOM 1798 NZ LYS A 120 14.923 -2.233 1.106 1.00 0.00 N ATOM 0 H LYS A 120 9.084 -4.272 1.421 1.00 0.00 H new ATOM 0 HA LYS A 120 9.286 -5.486 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.808 -3.920 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.374 -3.324 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 120 12.155 -4.678 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.537 -5.425 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.060 -3.763 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.700 -2.702 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.889 -1.648 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.210 -3.141 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.089 -1.479 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.466 -3.078 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.228 -1.909 0.166 1.00 0.00 H new ATOM 1812 N GLU A 121 10.773 -7.019 1.317 1.00 0.00 N ATOM 1813 CA GLU A 121 11.458 -8.246 1.685 1.00 0.00 C ATOM 1814 C GLU A 121 10.690 -9.460 1.162 1.00 0.00 C ATOM 1815 O GLU A 121 11.283 -10.501 0.881 1.00 0.00 O ATOM 1816 CB GLU A 121 11.651 -8.331 3.200 1.00 0.00 C ATOM 1817 CG GLU A 121 12.338 -7.074 3.738 1.00 0.00 C ATOM 1818 CD GLU A 121 13.828 -7.074 3.396 1.00 0.00 C ATOM 1819 OE1 GLU A 121 14.593 -7.668 4.188 1.00 0.00 O ATOM 1820 OE2 GLU A 121 14.172 -6.480 2.350 1.00 0.00 O ATOM 0 H GLU A 121 10.475 -6.444 2.105 1.00 0.00 H new ATOM 0 HA GLU A 121 12.446 -8.240 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.684 -8.457 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 121 12.248 -9.209 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.864 -6.188 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.210 -7.020 4.819 1.00 0.00 H new ATOM 1827 N ILE A 122 9.381 -9.289 1.046 1.00 0.00 N ATOM 1828 CA ILE A 122 8.526 -10.359 0.561 1.00 0.00 C ATOM 1829 C ILE A 122 8.563 -10.381 -0.968 1.00 0.00 C ATOM 1830 O ILE A 122 8.562 -11.451 -1.577 1.00 0.00 O ATOM 1831 CB ILE A 122 7.116 -10.221 1.140 1.00 0.00 C ATOM 1832 CG1 ILE A 122 7.157 -9.619 2.545 1.00 0.00 C ATOM 1833 CG2 ILE A 122 6.379 -11.562 1.113 1.00 0.00 C ATOM 1834 CD1 ILE A 122 8.211 -10.313 3.410 1.00 0.00 C ATOM 0 H ILE A 122 8.892 -8.425 1.280 1.00 0.00 H new ATOM 0 HA ILE A 122 8.894 -11.326 0.903 1.00 0.00 H new ATOM 0 HB ILE A 122 6.554 -9.531 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 122 7.378 -8.554 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.177 -9.714 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.380 -11.436 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.301 -11.914 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.930 -12.292 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.219 -9.865 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.974 -11.374 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 122 9.193 -10.195 2.952 1.00 0.00 H new ATOM 1846 N HIS A 123 8.598 -9.189 -1.546 1.00 0.00 N ATOM 1847 CA HIS A 123 8.636 -9.060 -2.993 1.00 0.00 C ATOM 1848 C HIS A 123 9.705 -9.995 -3.563 1.00 0.00 C ATOM 1849 O HIS A 123 9.681 -10.318 -4.750 1.00 0.00 O ATOM 1850 CB HIS A 123 8.844 -7.601 -3.402 1.00 0.00 C ATOM 1851 CG HIS A 123 7.918 -6.630 -2.709 1.00 0.00 C ATOM 1852 ND1 HIS A 123 7.795 -5.276 -2.825 1.00 0.00 N flip ATOM 1853 CD2 HIS A 123 6.980 -7.028 -1.771 1.00 0.00 C flip ATOM 1854 CE1 HIS A 123 6.835 -4.870 -2.004 1.00 0.00 C flip ATOM 1855 NE2 HIS A 123 6.328 -5.954 -1.350 1.00 0.00 N flip ATOM 0 H HIS A 123 8.601 -8.304 -1.039 1.00 0.00 H new ATOM 0 HA HIS A 123 7.677 -9.361 -3.415 1.00 0.00 H new ATOM 0 HB2 HIS A 123 9.875 -7.318 -3.189 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.705 -7.513 -4.480 1.00 0.00 H new ATOM 0 HD1 HIS A 123 8.347 -4.677 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 123 6.809 -8.041 -1.439 1.00 0.00 H new ATOM 0 HE1 HIS A 123 6.509 -3.849 -1.875 1.00 0.00 H new ATOM 1864 N LYS A 124 10.616 -10.401 -2.692 1.00 0.00 N ATOM 1865 CA LYS A 124 11.691 -11.292 -3.094 1.00 0.00 C ATOM 1866 C LYS A 124 11.313 -12.732 -2.745 1.00 0.00 C ATOM 1867 O LYS A 124 12.184 -13.569 -2.520 1.00 0.00 O ATOM 1868 CB LYS A 124 13.020 -10.839 -2.484 1.00 0.00 C ATOM 1869 CG LYS A 124 13.255 -11.507 -1.128 1.00 0.00 C ATOM 1870 CD LYS A 124 14.180 -10.658 -0.252 1.00 0.00 C ATOM 1871 CE LYS A 124 15.481 -11.404 0.053 1.00 0.00 C ATOM 1872 NZ LYS A 124 16.576 -10.909 -0.810 1.00 0.00 N ATOM 0 H LYS A 124 10.632 -10.129 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 124 11.833 -11.253 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.838 -11.085 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.019 -9.756 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.301 -11.654 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.693 -12.494 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.405 -9.719 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.674 -10.405 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.747 -11.270 1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.340 -12.473 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 17.305 -11.645 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.199 -10.677 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.995 -10.057 -0.385 1.00 0.00 H new ATOM 1886 N LEU A 125 10.012 -12.976 -2.709 1.00 0.00 N ATOM 1887 CA LEU A 125 9.507 -14.301 -2.391 1.00 0.00 C ATOM 1888 C LEU A 125 10.332 -15.350 -3.137 1.00 0.00 C ATOM 1889 O LEU A 125 11.391 -15.763 -2.666 1.00 0.00 O ATOM 1890 CB LEU A 125 8.006 -14.385 -2.672 1.00 0.00 C ATOM 1891 CG LEU A 125 7.446 -13.342 -3.642 1.00 0.00 C ATOM 1892 CD1 LEU A 125 8.376 -13.155 -4.842 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.022 -13.701 -4.071 1.00 0.00 C ATOM 0 H LEU A 125 9.291 -12.278 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 125 9.620 -14.505 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.786 -15.376 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.474 -14.295 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 125 7.394 -12.385 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.955 -12.409 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.354 -12.821 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.483 -14.102 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.648 -12.944 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.025 -14.672 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.377 -13.743 -3.193 1.00 0.00 H new ATOM 1905 N ASN A 126 9.816 -15.751 -4.290 1.00 0.00 N ATOM 1906 CA ASN A 126 10.493 -16.745 -5.107 1.00 0.00 C ATOM 1907 C ASN A 126 11.279 -16.039 -6.214 1.00 0.00 C ATOM 1908 O ASN A 126 11.987 -16.685 -6.985 1.00 0.00 O ATOM 1909 CB ASN A 126 9.488 -17.689 -5.770 1.00 0.00 C ATOM 1910 CG ASN A 126 10.157 -18.518 -6.868 1.00 0.00 C ATOM 1911 OD1 ASN A 126 10.141 -17.941 -8.066 1.00 0.00 O flip ATOM 1912 ND2 ASN A 126 10.654 -19.609 -6.643 1.00 0.00 N flip ATOM 0 H ASN A 126 8.938 -15.406 -4.678 1.00 0.00 H new ATOM 0 HA ASN A 126 11.156 -17.320 -4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.057 -18.352 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 126 8.667 -17.112 -6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 126 10.632 -19.995 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 126 11.092 -20.136 -7.399 1.00 0.00 H new ATOM 1919 N TRP A 127 11.129 -14.723 -6.256 1.00 0.00 N ATOM 1920 CA TRP A 127 11.815 -13.924 -7.255 1.00 0.00 C ATOM 1921 C TRP A 127 13.170 -13.505 -6.677 1.00 0.00 C ATOM 1922 O TRP A 127 13.328 -13.415 -5.461 1.00 0.00 O ATOM 1923 CB TRP A 127 10.958 -12.732 -7.688 1.00 0.00 C ATOM 1924 CG TRP A 127 9.459 -13.034 -7.750 1.00 0.00 C ATOM 1925 CD1 TRP A 127 8.863 -14.224 -7.914 1.00 0.00 C ATOM 1926 CD2 TRP A 127 8.384 -12.078 -7.640 1.00 0.00 C ATOM 1927 NE1 TRP A 127 7.489 -14.103 -7.918 1.00 0.00 N ATOM 1928 CE2 TRP A 127 7.187 -12.757 -7.746 1.00 0.00 C ATOM 1929 CE3 TRP A 127 8.422 -10.685 -7.456 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 5.940 -12.126 -7.681 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 7.165 -10.068 -7.393 1.00 0.00 C ATOM 1932 CH2 TRP A 127 5.953 -10.738 -7.499 1.00 0.00 C ATOM 0 H TRP A 127 10.542 -14.191 -5.614 1.00 0.00 H new ATOM 0 HA TRP A 127 11.986 -14.505 -8.161 1.00 0.00 H new ATOM 0 HB2 TRP A 127 11.124 -11.907 -6.995 1.00 0.00 H new ATOM 0 HB3 TRP A 127 11.291 -12.395 -8.670 1.00 0.00 H new ATOM 0 HD1 TRP A 127 9.392 -15.159 -8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 127 6.817 -14.863 -8.027 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.347 -10.134 -7.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.017 -12.680 -7.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 7.137 -8.998 -7.252 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.024 -10.190 -7.441 1.00 0.00 H new ATOM 1943 N VAL A 128 14.111 -13.264 -7.577 1.00 0.00 N ATOM 1944 CA VAL A 128 15.447 -12.858 -7.171 1.00 0.00 C ATOM 1945 C VAL A 128 15.658 -11.386 -7.530 1.00 0.00 C ATOM 1946 O VAL A 128 15.629 -11.017 -8.703 1.00 0.00 O ATOM 1947 CB VAL A 128 16.489 -13.783 -7.804 1.00 0.00 C ATOM 1948 CG1 VAL A 128 16.438 -15.177 -7.176 1.00 0.00 C ATOM 1949 CG2 VAL A 128 16.305 -13.858 -9.322 1.00 0.00 C ATOM 0 H VAL A 128 13.976 -13.342 -8.585 1.00 0.00 H new ATOM 0 HA VAL A 128 15.563 -12.950 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 128 17.475 -13.363 -7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 128 17.188 -15.814 -7.644 1.00 0.00 H new ATOM 0 HG12 VAL A 128 16.640 -15.102 -6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.449 -15.609 -7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.058 -14.522 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.311 -14.244 -9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 128 16.415 -12.862 -9.751 1.00 0.00 H new ATOM 1959 N PRO A 129 15.873 -10.561 -6.468 1.00 0.00 N ATOM 1960 CA PRO A 129 16.089 -9.137 -6.659 1.00 0.00 C ATOM 1961 C PRO A 129 17.495 -8.864 -7.199 1.00 0.00 C ATOM 1962 O PRO A 129 18.231 -8.053 -6.640 1.00 0.00 O ATOM 1963 CB PRO A 129 15.846 -8.517 -5.293 1.00 0.00 C ATOM 1964 CG PRO A 129 15.960 -9.656 -4.292 1.00 0.00 C ATOM 1965 CD PRO A 129 15.913 -10.962 -5.065 1.00 0.00 C ATOM 0 HA PRO A 129 15.419 -8.705 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.578 -7.737 -5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 129 14.861 -8.052 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 129 16.891 -9.578 -3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 129 15.146 -9.611 -3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 129 16.787 -11.579 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.036 -11.550 -4.796 1.00 0.00 H new ATOM 1973 N ASN A 130 17.822 -9.556 -8.280 1.00 0.00 N ATOM 1974 CA ASN A 130 19.127 -9.398 -8.902 1.00 0.00 C ATOM 1975 C ASN A 130 19.519 -7.919 -8.883 1.00 0.00 C ATOM 1976 O ASN A 130 20.704 -7.588 -8.845 1.00 0.00 O ATOM 1977 CB ASN A 130 19.101 -9.862 -10.359 1.00 0.00 C ATOM 1978 CG ASN A 130 20.415 -10.549 -10.738 1.00 0.00 C ATOM 1979 OD1 ASN A 130 20.863 -11.487 -10.100 1.00 0.00 O ATOM 1980 ND2 ASN A 130 21.006 -10.031 -11.811 1.00 0.00 N ATOM 0 H ASN A 130 17.207 -10.227 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 130 19.843 -10.001 -8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 130 18.269 -10.550 -10.511 1.00 0.00 H new ATOM 0 HB3 ASN A 130 18.931 -9.007 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 130 21.888 -10.420 -12.145 1.00 0.00 H new ATOM 0 HD22 ASN A 130 20.577 -9.245 -12.300 1.00 0.00 H new ATOM 1987 N MET A 131 18.503 -7.070 -8.912 1.00 0.00 N ATOM 1988 CA MET A 131 18.728 -5.634 -8.900 1.00 0.00 C ATOM 1989 C MET A 131 18.689 -5.086 -7.471 1.00 0.00 C ATOM 1990 O MET A 131 17.614 -4.890 -6.907 1.00 0.00 O ATOM 1991 CB MET A 131 17.654 -4.942 -9.741 1.00 0.00 C ATOM 1992 CG MET A 131 18.278 -3.910 -10.683 1.00 0.00 C ATOM 1993 SD MET A 131 19.197 -4.734 -11.971 1.00 0.00 S ATOM 1994 CE MET A 131 17.868 -5.136 -13.093 1.00 0.00 C ATOM 0 H MET A 131 17.522 -7.348 -8.944 1.00 0.00 H new ATOM 0 HA MET A 131 19.714 -5.436 -9.319 1.00 0.00 H new ATOM 0 HB2 MET A 131 17.106 -5.685 -10.321 1.00 0.00 H new ATOM 0 HB3 MET A 131 16.933 -4.453 -9.086 1.00 0.00 H new ATOM 0 HG2 MET A 131 17.498 -3.289 -11.123 1.00 0.00 H new ATOM 0 HG3 MET A 131 18.937 -3.246 -10.123 1.00 0.00 H new ATOM 0 HE1 MET A 131 17.998 -6.153 -13.462 1.00 0.00 H new ATOM 0 HE2 MET A 131 16.915 -5.059 -12.570 1.00 0.00 H new ATOM 0 HE3 MET A 131 17.878 -4.442 -13.933 1.00 0.00 H new ATOM 2004 N ASP A 132 19.875 -4.854 -6.928 1.00 0.00 N ATOM 2005 CA ASP A 132 19.990 -4.333 -5.577 1.00 0.00 C ATOM 2006 C ASP A 132 20.789 -3.029 -5.605 1.00 0.00 C ATOM 2007 O ASP A 132 21.894 -2.984 -6.144 1.00 0.00 O ATOM 2008 CB ASP A 132 20.725 -5.318 -4.667 1.00 0.00 C ATOM 2009 CG ASP A 132 21.880 -6.072 -5.329 1.00 0.00 C ATOM 2010 OD1 ASP A 132 21.590 -7.101 -5.976 1.00 0.00 O ATOM 2011 OD2 ASP A 132 23.028 -5.603 -5.173 1.00 0.00 O ATOM 0 H ASP A 132 20.765 -5.017 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 132 18.983 -4.169 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 132 21.113 -4.774 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 132 20.006 -6.045 -4.288 1.00 0.00 H new ATOM 2016 N LEU A 133 20.200 -1.998 -5.017 1.00 0.00 N ATOM 2017 CA LEU A 133 20.842 -0.695 -4.968 1.00 0.00 C ATOM 2018 C LEU A 133 22.356 -0.883 -4.837 1.00 0.00 C ATOM 2019 O LEU A 133 22.835 -1.395 -3.826 1.00 0.00 O ATOM 2020 CB LEU A 133 20.231 0.163 -3.859 1.00 0.00 C ATOM 2021 CG LEU A 133 20.718 -0.130 -2.438 1.00 0.00 C ATOM 2022 CD1 LEU A 133 20.645 -1.627 -2.131 1.00 0.00 C ATOM 2023 CD2 LEU A 133 22.122 0.433 -2.213 1.00 0.00 C ATOM 0 H LEU A 133 19.284 -2.039 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 133 20.666 -0.148 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 133 20.435 1.210 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 133 19.149 0.037 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 133 20.052 0.375 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 133 20.997 -1.808 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 133 19.614 -1.968 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 133 21.272 -2.174 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 133 22.444 0.211 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 133 22.815 -0.023 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 133 22.109 1.513 -2.362 1.00 0.00 H new ATOM 2035 N VAL A 134 23.064 -0.459 -5.872 1.00 0.00 N ATOM 2036 CA VAL A 134 24.513 -0.574 -5.884 1.00 0.00 C ATOM 2037 C VAL A 134 25.131 0.826 -5.931 1.00 0.00 C ATOM 2038 O VAL A 134 26.346 0.967 -6.061 1.00 0.00 O ATOM 2039 CB VAL A 134 24.956 -1.462 -7.048 1.00 0.00 C ATOM 2040 CG1 VAL A 134 24.859 -0.714 -8.378 1.00 0.00 C ATOM 2041 CG2 VAL A 134 26.373 -1.994 -6.822 1.00 0.00 C ATOM 0 H VAL A 134 22.662 -0.035 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 134 24.866 -1.055 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 134 24.279 -2.315 -7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 134 25.180 -1.369 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 134 23.827 -0.406 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 134 25.500 0.167 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 134 26.664 -2.622 -7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 134 27.066 -1.157 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 134 26.399 -2.582 -5.904 1.00 0.00 H new ATOM 2051 N ILE A 135 24.266 1.824 -5.823 1.00 0.00 N ATOM 2052 CA ILE A 135 24.712 3.206 -5.852 1.00 0.00 C ATOM 2053 C ILE A 135 24.741 3.757 -4.423 1.00 0.00 C ATOM 2054 O ILE A 135 25.180 4.884 -4.198 1.00 0.00 O ATOM 2055 CB ILE A 135 23.848 4.029 -6.809 1.00 0.00 C ATOM 2056 CG1 ILE A 135 22.383 3.591 -6.739 1.00 0.00 C ATOM 2057 CG2 ILE A 135 24.397 3.964 -8.236 1.00 0.00 C ATOM 2058 CD1 ILE A 135 22.129 2.380 -7.638 1.00 0.00 C ATOM 0 H ILE A 135 23.259 1.703 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 135 25.728 3.270 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 135 23.888 5.072 -6.495 1.00 0.00 H new ATOM 0 HG12 ILE A 135 22.122 3.345 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 135 21.738 4.416 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 135 23.765 4.557 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE A 135 25.412 4.360 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 135 24.406 2.928 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 135 21.081 2.089 -7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 135 22.368 2.637 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 135 22.757 1.550 -7.316 1.00 0.00 H new ATOM 2070 N GLY A 136 24.271 2.937 -3.496 1.00 0.00 N ATOM 2071 CA GLY A 136 24.238 3.327 -2.098 1.00 0.00 C ATOM 2072 C GLY A 136 22.968 4.118 -1.778 1.00 0.00 C ATOM 2073 O GLY A 136 22.966 4.963 -0.885 1.00 0.00 O ATOM 0 H GLY A 136 23.909 2.002 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.286 2.439 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.115 3.931 -1.865 1.00 0.00 H new ATOM 2077 N GLU A 137 21.917 3.816 -2.527 1.00 0.00 N ATOM 2078 CA GLU A 137 20.644 4.488 -2.335 1.00 0.00 C ATOM 2079 C GLU A 137 19.596 3.503 -1.814 1.00 0.00 C ATOM 2080 O GLU A 137 19.483 2.386 -2.319 1.00 0.00 O ATOM 2081 CB GLU A 137 20.173 5.153 -3.631 1.00 0.00 C ATOM 2082 CG GLU A 137 20.551 6.636 -3.655 1.00 0.00 C ATOM 2083 CD GLU A 137 20.486 7.195 -5.077 1.00 0.00 C ATOM 2084 OE1 GLU A 137 19.368 7.569 -5.491 1.00 0.00 O ATOM 2085 OE2 GLU A 137 21.559 7.235 -5.719 1.00 0.00 O ATOM 0 H GLU A 137 21.922 3.115 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 137 20.780 5.272 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 137 20.619 4.646 -4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.092 5.048 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 137 19.876 7.197 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 137 21.557 6.765 -3.255 1.00 0.00 H new ATOM 2092 N VAL A 138 18.856 3.952 -0.810 1.00 0.00 N ATOM 2093 CA VAL A 138 17.821 3.122 -0.214 1.00 0.00 C ATOM 2094 C VAL A 138 16.632 3.033 -1.172 1.00 0.00 C ATOM 2095 O VAL A 138 16.058 4.052 -1.553 1.00 0.00 O ATOM 2096 CB VAL A 138 17.441 3.670 1.163 1.00 0.00 C ATOM 2097 CG1 VAL A 138 18.674 3.806 2.058 1.00 0.00 C ATOM 2098 CG2 VAL A 138 16.703 5.004 1.037 1.00 0.00 C ATOM 0 H VAL A 138 18.952 4.879 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 138 18.187 2.108 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 138 16.764 2.957 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 138 18.376 4.198 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 138 19.139 2.829 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 138 19.386 4.489 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 138 16.444 5.372 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 138 17.345 5.729 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 138 15.793 4.863 0.454 1.00 0.00 H new ATOM 2108 N LEU A 139 16.295 1.803 -1.534 1.00 0.00 N ATOM 2109 CA LEU A 139 15.184 1.567 -2.440 1.00 0.00 C ATOM 2110 C LEU A 139 15.019 0.061 -2.656 1.00 0.00 C ATOM 2111 O LEU A 139 13.899 -0.445 -2.688 1.00 0.00 O ATOM 2112 CB LEU A 139 15.372 2.358 -3.736 1.00 0.00 C ATOM 2113 CG LEU A 139 15.838 1.553 -4.951 1.00 0.00 C ATOM 2114 CD1 LEU A 139 14.662 0.830 -5.613 1.00 0.00 C ATOM 2115 CD2 LEU A 139 16.594 2.441 -5.939 1.00 0.00 C ATOM 0 H LEU A 139 16.772 0.960 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 139 14.253 1.931 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 139 14.426 2.840 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 139 16.095 3.152 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 139 16.535 0.788 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 139 15.020 0.265 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 139 14.204 0.148 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 139 13.923 1.561 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 139 16.914 1.844 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 139 15.940 3.243 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 139 17.468 2.870 -5.448 1.00 0.00 H new ATOM 2127 N ALA A 140 16.151 -0.611 -2.798 1.00 0.00 N ATOM 2128 CA ALA A 140 16.146 -2.048 -3.011 1.00 0.00 C ATOM 2129 C ALA A 140 16.714 -2.744 -1.773 1.00 0.00 C ATOM 2130 O ALA A 140 17.330 -2.104 -0.923 1.00 0.00 O ATOM 2131 CB ALA A 140 16.935 -2.380 -4.279 1.00 0.00 C ATOM 0 H ALA A 140 17.078 -0.187 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 140 15.128 -2.410 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 140 16.931 -3.458 -4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 140 16.475 -1.885 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 140 17.963 -2.033 -4.169 1.00 0.00 H new ATOM 2137 N GLU A 141 16.486 -4.048 -1.709 1.00 0.00 N ATOM 2138 CA GLU A 141 16.967 -4.838 -0.588 1.00 0.00 C ATOM 2139 C GLU A 141 18.484 -5.005 -0.669 1.00 0.00 C ATOM 2140 O GLU A 141 18.978 -5.941 -1.296 1.00 0.00 O ATOM 2141 CB GLU A 141 16.267 -6.199 -0.537 1.00 0.00 C ATOM 2142 CG GLU A 141 16.360 -6.810 0.863 1.00 0.00 C ATOM 2143 CD GLU A 141 17.725 -7.465 1.086 1.00 0.00 C ATOM 2144 OE1 GLU A 141 18.145 -8.223 0.184 1.00 0.00 O ATOM 2145 OE2 GLU A 141 18.317 -7.194 2.152 1.00 0.00 O ATOM 0 H GLU A 141 15.975 -4.577 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 141 16.729 -4.308 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 141 15.220 -6.085 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 141 16.721 -6.873 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 141 16.197 -6.036 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 141 15.571 -7.551 0.993 1.00 0.00 H new ATOM 2152 N VAL A 142 19.184 -4.082 -0.027 1.00 0.00 N ATOM 2153 CA VAL A 142 20.637 -4.114 -0.017 1.00 0.00 C ATOM 2154 C VAL A 142 21.148 -4.296 -1.449 1.00 0.00 C ATOM 2155 O VAL A 142 22.273 -3.913 -1.763 1.00 0.00 O ATOM 2156 CB VAL A 142 21.131 -5.205 0.935 1.00 0.00 C ATOM 2157 CG1 VAL A 142 22.629 -5.457 0.753 1.00 0.00 C ATOM 2158 CG2 VAL A 142 20.807 -4.852 2.388 1.00 0.00 C ATOM 0 H VAL A 142 18.772 -3.306 0.491 1.00 0.00 H new ATOM 0 HA VAL A 142 21.037 -3.171 0.355 1.00 0.00 H new ATOM 0 HB VAL A 142 20.605 -6.127 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 142 22.953 -6.237 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 142 22.823 -5.775 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 142 23.180 -4.539 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 142 21.169 -5.644 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 142 21.293 -3.912 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 142 19.728 -4.748 2.505 1.00 0.00 H new