USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 862 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 SER OG : rot 180:sc= -0.0422 USER MOD Set 1.2: B 36 LYS NZ :NH3+ -177:sc= 0.552 (180deg=0.565) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.0113 USER MOD Set 2.2: A 36 LYS NZ :NH3+ -173:sc= 0.498 (180deg=0.588) USER MOD Single : A 18 SER OG : rot 180:sc= -0.993 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0574) USER MOD Single : A 28 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0574 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.0565 (180deg=-0.347) USER MOD Single : A 40 SER OG : rot 180:sc= -0.085 USER MOD Single : A 46 SER OG : rot -129:sc= 1.2 USER MOD Single : A 48 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Single : A 51 MET CE :methyl -154:sc= -2.85! (180deg=-5.28!) USER MOD Single : A 53 CYS SG : rot 78:sc= 0.042 USER MOD Single : A 55 SER OG : rot 83:sc= 1.06 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00632 USER MOD Single : A 71 LYS NZ :NH3+ -179:sc= 0.933 (180deg=0.933) USER MOD Single : A 72 SER OG : rot 150:sc= -1.56! USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 85 SER OG : rot -23:sc= 0.233 USER MOD Single : B 18 SER OG : rot 180:sc= -1.03 USER MOD Single : B 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0527) USER MOD Single : B 28 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : B 29 TYR OH : rot 180:sc=-0.00816 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 LYS NZ :NH3+ 161:sc= -0.0598 (180deg=-0.39) USER MOD Single : B 40 SER OG : rot 180:sc= -0.0646 USER MOD Single : B 46 SER OG : rot -114:sc= 1.18 USER MOD Single : B 48 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Single : B 51 MET CE :methyl -153:sc= -2.97! (180deg=-5.39!) USER MOD Single : B 53 CYS SG : rot 75:sc= 0.0368 USER MOD Single : B 55 SER OG : rot 82:sc= 1.06 USER MOD Single : B 66 SER OG : rot 180:sc= 0.00813 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0.896 (180deg=0.896) USER MOD Single : B 72 SER OG : rot 150:sc= -1.54! USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : B 84 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : B 85 SER OG : rot -23:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.812 -7.488 6.436 1.00 0.93 N ATOM 49 CA ALA A 17 -7.669 -6.658 6.070 1.00 0.81 C ATOM 50 C ALA A 17 -6.416 -7.118 6.803 1.00 0.69 C ATOM 51 O ALA A 17 -5.807 -6.365 7.569 1.00 0.70 O ATOM 52 CB ALA A 17 -7.946 -5.188 6.347 1.00 1.09 C ATOM 0 HA ALA A 17 -7.502 -6.770 4.999 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -7.077 -4.594 6.064 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -8.810 -4.865 5.767 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -8.150 -5.050 7.409 1.00 1.09 H new ATOM 58 N SER A 18 -6.047 -8.364 6.568 1.00 0.64 N ATOM 59 CA SER A 18 -4.872 -8.939 7.185 1.00 0.61 C ATOM 60 C SER A 18 -3.624 -8.322 6.568 1.00 0.50 C ATOM 61 O SER A 18 -3.579 -8.045 5.368 1.00 0.45 O ATOM 62 CB SER A 18 -4.885 -10.455 6.985 1.00 0.66 C ATOM 63 OG SER A 18 -3.793 -11.082 7.633 1.00 1.32 O ATOM 0 H SER A 18 -6.551 -8.999 5.949 1.00 0.64 H new ATOM 0 HA SER A 18 -4.871 -8.729 8.255 1.00 0.61 H new ATOM 0 HB2 SER A 18 -5.819 -10.864 7.370 1.00 0.66 H new ATOM 0 HB3 SER A 18 -4.853 -10.681 5.919 1.00 0.66 H new ATOM 0 HG SER A 18 -3.836 -12.050 7.484 1.00 1.32 H new ATOM 69 N LYS A 19 -2.618 -8.101 7.412 1.00 0.50 N ATOM 70 CA LYS A 19 -1.389 -7.426 7.005 1.00 0.43 C ATOM 71 C LYS A 19 -0.713 -8.130 5.831 1.00 0.34 C ATOM 72 O LYS A 19 -0.061 -7.487 5.013 1.00 0.28 O ATOM 73 CB LYS A 19 -0.429 -7.313 8.195 1.00 0.54 C ATOM 74 CG LYS A 19 -0.095 -8.639 8.859 1.00 0.84 C ATOM 75 CD LYS A 19 0.801 -8.435 10.070 1.00 1.12 C ATOM 76 CE LYS A 19 1.077 -9.742 10.795 1.00 1.73 C ATOM 77 NZ LYS A 19 1.842 -10.697 9.952 1.00 2.10 N ATOM 0 H LYS A 19 -2.632 -8.383 8.392 1.00 0.50 H new ATOM 0 HA LYS A 19 -1.657 -6.425 6.668 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.496 -6.846 7.857 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -0.868 -6.648 8.939 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -1.015 -9.139 9.163 1.00 0.84 H new ATOM 0 HG3 LYS A 19 0.401 -9.293 8.142 1.00 0.84 H new ATOM 0 HD2 LYS A 19 1.744 -7.989 9.753 1.00 1.12 H new ATOM 0 HD3 LYS A 19 0.330 -7.731 10.756 1.00 1.12 H new ATOM 0 HE2 LYS A 19 1.635 -9.538 11.709 1.00 1.73 H new ATOM 0 HE3 LYS A 19 0.133 -10.198 11.093 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 2.125 -11.517 10.526 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 1.246 -11.017 9.162 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 2.691 -10.227 9.577 1.00 2.10 H new ATOM 91 N GLU A 20 -0.883 -9.445 5.746 1.00 0.41 N ATOM 92 CA GLU A 20 -0.324 -10.218 4.643 1.00 0.41 C ATOM 93 C GLU A 20 -1.022 -9.866 3.330 1.00 0.34 C ATOM 94 O GLU A 20 -0.381 -9.751 2.286 1.00 0.30 O ATOM 95 CB GLU A 20 -0.446 -11.719 4.934 1.00 0.57 C ATOM 96 CG GLU A 20 -1.858 -12.158 5.299 1.00 0.64 C ATOM 97 CD GLU A 20 -1.933 -13.606 5.737 1.00 0.95 C ATOM 98 OE1 GLU A 20 -1.150 -14.004 6.625 1.00 1.49 O ATOM 99 OE2 GLU A 20 -2.798 -14.345 5.219 1.00 1.57 O ATOM 0 H GLU A 20 -1.403 -9.998 6.427 1.00 0.41 H new ATOM 0 HA GLU A 20 0.732 -9.967 4.543 1.00 0.41 H new ATOM 0 HB2 GLU A 20 -0.116 -12.278 4.058 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.228 -11.978 5.750 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -2.235 -11.522 6.100 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -2.512 -12.010 4.440 1.00 0.64 H new ATOM 106 N GLU A 21 -2.332 -9.667 3.405 1.00 0.37 N ATOM 107 CA GLU A 21 -3.139 -9.337 2.237 1.00 0.39 C ATOM 108 C GLU A 21 -2.813 -7.938 1.751 1.00 0.32 C ATOM 109 O GLU A 21 -2.618 -7.707 0.557 1.00 0.34 O ATOM 110 CB GLU A 21 -4.620 -9.405 2.591 1.00 0.50 C ATOM 111 CG GLU A 21 -5.066 -10.750 3.130 1.00 0.61 C ATOM 112 CD GLU A 21 -6.521 -10.748 3.548 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.876 -9.969 4.453 1.00 1.49 O ATOM 114 OE2 GLU A 21 -7.307 -11.544 2.990 1.00 1.54 O ATOM 0 H GLU A 21 -2.863 -9.729 4.273 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.915 -10.056 1.449 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.841 -8.637 3.332 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.206 -9.169 1.703 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.910 -11.514 2.368 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.445 -11.020 3.984 1.00 0.61 H new ATOM 121 N ILE A 22 -2.762 -7.010 2.696 1.00 0.30 N ATOM 122 CA ILE A 22 -2.502 -5.613 2.395 1.00 0.28 C ATOM 123 C ILE A 22 -1.147 -5.455 1.725 1.00 0.24 C ATOM 124 O ILE A 22 -1.044 -4.852 0.660 1.00 0.26 O ATOM 125 CB ILE A 22 -2.547 -4.751 3.671 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.863 -4.989 4.415 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.391 -3.276 3.320 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.892 -4.391 5.802 1.00 0.44 C ATOM 0 H ILE A 22 -2.899 -7.205 3.688 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.283 -5.272 1.715 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.720 -5.038 4.321 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.682 -4.569 3.831 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -4.040 -6.062 4.488 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.425 -2.679 4.232 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.435 -3.120 2.820 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -3.201 -2.972 2.657 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.855 -4.600 6.268 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -3.095 -4.829 6.404 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.747 -3.313 5.736 1.00 0.44 H new ATOM 135 N ALA A 23 -0.115 -6.024 2.342 1.00 0.20 N ATOM 136 CA ALA A 23 1.234 -5.957 1.797 1.00 0.19 C ATOM 137 C ALA A 23 1.288 -6.571 0.405 1.00 0.20 C ATOM 138 O ALA A 23 1.946 -6.043 -0.491 1.00 0.20 O ATOM 139 CB ALA A 23 2.212 -6.659 2.719 1.00 0.20 C ATOM 0 H ALA A 23 -0.189 -6.537 3.221 1.00 0.20 H new ATOM 0 HA ALA A 23 1.517 -4.907 1.719 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.216 -6.600 2.298 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.200 -6.177 3.697 1.00 0.20 H new ATOM 0 HB3 ALA A 23 1.924 -7.705 2.826 1.00 0.20 H new ATOM 145 N ALA A 24 0.580 -7.681 0.230 1.00 0.22 N ATOM 146 CA ALA A 24 0.516 -8.357 -1.057 1.00 0.25 C ATOM 147 C ALA A 24 -0.110 -7.455 -2.116 1.00 0.24 C ATOM 148 O ALA A 24 0.374 -7.374 -3.242 1.00 0.25 O ATOM 149 CB ALA A 24 -0.264 -9.654 -0.929 1.00 0.31 C ATOM 0 H ALA A 24 0.040 -8.132 0.968 1.00 0.22 H new ATOM 0 HA ALA A 24 1.532 -8.590 -1.374 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.305 -10.151 -1.898 1.00 0.31 H new ATOM 0 HB2 ALA A 24 0.229 -10.306 -0.208 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.277 -9.437 -0.589 1.00 0.31 H new ATOM 155 N LEU A 25 -1.185 -6.771 -1.746 1.00 0.23 N ATOM 156 CA LEU A 25 -1.836 -5.825 -2.645 1.00 0.23 C ATOM 157 C LEU A 25 -0.925 -4.637 -2.928 1.00 0.22 C ATOM 158 O LEU A 25 -0.873 -4.133 -4.051 1.00 0.25 O ATOM 159 CB LEU A 25 -3.155 -5.335 -2.044 1.00 0.26 C ATOM 160 CG LEU A 25 -4.278 -6.371 -1.988 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.457 -5.824 -1.203 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.715 -6.760 -3.393 1.00 0.44 C ATOM 0 H LEU A 25 -1.625 -6.853 -0.830 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.044 -6.339 -3.583 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -2.963 -4.978 -1.032 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.502 -4.479 -2.623 1.00 0.26 H new ATOM 0 HG LEU A 25 -3.903 -7.262 -1.484 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.250 -6.571 -1.170 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.140 -5.587 -0.188 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.829 -4.921 -1.687 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.515 -7.498 -3.334 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -5.075 -5.876 -3.920 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.869 -7.185 -3.933 1.00 0.44 H new ATOM 174 N ILE A 26 -0.209 -4.201 -1.901 1.00 0.21 N ATOM 175 CA ILE A 26 0.711 -3.078 -2.017 1.00 0.22 C ATOM 176 C ILE A 26 1.851 -3.394 -2.986 1.00 0.20 C ATOM 177 O ILE A 26 2.103 -2.633 -3.924 1.00 0.23 O ATOM 178 CB ILE A 26 1.284 -2.683 -0.636 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.172 -2.118 0.255 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.412 -1.674 -0.789 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.608 -1.834 1.675 1.00 0.27 C ATOM 0 H ILE A 26 -0.249 -4.613 -0.969 1.00 0.21 H new ATOM 0 HA ILE A 26 0.145 -2.234 -2.413 1.00 0.22 H new ATOM 0 HB ILE A 26 1.692 -3.576 -0.162 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.204 -1.197 -0.190 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.658 -2.824 0.275 1.00 0.26 H new ATOM 0 HG21 ILE A 26 2.800 -1.410 0.195 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.211 -2.109 -1.389 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.034 -0.778 -1.282 1.00 0.25 H new ATOM 0 HD11 ILE A 26 -0.234 -1.437 2.242 1.00 0.27 H new ATOM 0 HD12 ILE A 26 0.956 -2.756 2.140 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.417 -1.104 1.668 1.00 0.27 H new ATOM 188 N VAL A 27 2.526 -4.523 -2.776 1.00 0.18 N ATOM 189 CA VAL A 27 3.627 -4.914 -3.650 1.00 0.20 C ATOM 190 C VAL A 27 3.121 -5.201 -5.060 1.00 0.22 C ATOM 191 O VAL A 27 3.806 -4.926 -6.043 1.00 0.24 O ATOM 192 CB VAL A 27 4.411 -6.140 -3.118 1.00 0.21 C ATOM 193 CG1 VAL A 27 5.040 -5.832 -1.771 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.526 -7.371 -3.019 1.00 0.21 C ATOM 0 H VAL A 27 2.332 -5.176 -2.017 1.00 0.18 H new ATOM 0 HA VAL A 27 4.316 -4.070 -3.671 1.00 0.20 H new ATOM 0 HB VAL A 27 5.204 -6.356 -3.834 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.586 -6.706 -1.416 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.727 -4.992 -1.874 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.259 -5.576 -1.055 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.111 -8.210 -2.642 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.699 -7.171 -2.338 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.133 -7.617 -4.005 1.00 0.21 H new ATOM 198 N ASN A 28 1.906 -5.731 -5.151 1.00 0.26 N ATOM 199 CA ASN A 28 1.292 -6.013 -6.442 1.00 0.32 C ATOM 200 C ASN A 28 0.991 -4.712 -7.176 1.00 0.27 C ATOM 201 O ASN A 28 1.153 -4.624 -8.390 1.00 0.29 O ATOM 202 CB ASN A 28 0.007 -6.826 -6.264 1.00 0.45 C ATOM 203 CG ASN A 28 -0.591 -7.274 -7.585 1.00 0.68 C ATOM 204 OD1 ASN A 28 -0.251 -8.337 -8.101 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.493 -6.475 -8.136 1.00 0.86 N ATOM 0 H ASN A 28 1.328 -5.974 -4.346 1.00 0.26 H new ATOM 0 HA ASN A 28 1.993 -6.601 -7.035 1.00 0.32 H new ATOM 0 HB2 ASN A 28 0.218 -7.702 -5.650 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.725 -6.227 -5.723 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.932 -6.734 -9.020 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -1.748 -5.601 -7.677 1.00 0.86 H new ATOM 212 N TYR A 29 0.566 -3.696 -6.430 1.00 0.25 N ATOM 213 CA TYR A 29 0.292 -2.390 -7.010 1.00 0.24 C ATOM 214 C TYR A 29 1.567 -1.779 -7.573 1.00 0.19 C ATOM 215 O TYR A 29 1.599 -1.341 -8.721 1.00 0.19 O ATOM 216 CB TYR A 29 -0.334 -1.447 -5.974 1.00 0.29 C ATOM 217 CG TYR A 29 -0.463 -0.018 -6.461 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.230 0.289 -7.579 1.00 1.20 C ATOM 219 CD2 TYR A 29 0.192 1.019 -5.809 1.00 1.23 C ATOM 220 CE1 TYR A 29 -1.337 1.590 -8.033 1.00 1.22 C ATOM 221 CE2 TYR A 29 0.086 2.322 -6.256 1.00 1.25 C ATOM 222 CZ TYR A 29 -0.678 2.601 -7.369 1.00 0.43 C ATOM 223 OH TYR A 29 -0.782 3.897 -7.820 1.00 0.50 O ATOM 0 H TYR A 29 0.405 -3.754 -5.424 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.422 -2.527 -7.823 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.321 -1.821 -5.703 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.272 -1.461 -5.068 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.750 -0.501 -8.101 1.00 1.20 H new ATOM 0 HD2 TYR A 29 0.794 0.803 -4.939 1.00 1.23 H new ATOM 0 HE1 TYR A 29 -1.935 1.813 -8.905 1.00 1.22 H new ATOM 0 HE2 TYR A 29 0.599 3.118 -5.736 1.00 1.25 H new ATOM 0 HH TYR A 29 -0.258 4.488 -7.240 1.00 0.50 H new ATOM 233 N PHE A 30 2.623 -1.770 -6.766 1.00 0.16 N ATOM 234 CA PHE A 30 3.904 -1.231 -7.205 1.00 0.16 C ATOM 235 C PHE A 30 4.438 -2.026 -8.393 1.00 0.18 C ATOM 236 O PHE A 30 5.023 -1.461 -9.320 1.00 0.21 O ATOM 237 CB PHE A 30 4.926 -1.250 -6.067 1.00 0.19 C ATOM 238 CG PHE A 30 4.600 -0.351 -4.904 1.00 0.19 C ATOM 239 CD1 PHE A 30 3.805 0.774 -5.063 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.111 -0.630 -3.646 1.00 1.19 C ATOM 241 CE1 PHE A 30 3.528 1.600 -3.992 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.834 0.193 -2.572 1.00 1.22 C ATOM 243 CZ PHE A 30 4.043 1.309 -2.745 1.00 0.25 C ATOM 0 H PHE A 30 2.617 -2.127 -5.811 1.00 0.16 H new ATOM 0 HA PHE A 30 3.745 -0.197 -7.510 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.021 -2.272 -5.701 1.00 0.19 H new ATOM 0 HB3 PHE A 30 5.898 -0.963 -6.467 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.398 1.007 -6.036 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.733 -1.501 -3.504 1.00 1.19 H new ATOM 0 HE1 PHE A 30 2.908 2.474 -4.130 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.237 -0.038 -1.597 1.00 1.22 H new ATOM 0 HZ PHE A 30 3.827 1.954 -1.906 1.00 0.25 H new ATOM 253 N SER A 31 4.223 -3.337 -8.367 1.00 0.21 N ATOM 254 CA SER A 31 4.627 -4.199 -9.467 1.00 0.27 C ATOM 255 C SER A 31 3.818 -3.868 -10.718 1.00 0.25 C ATOM 256 O SER A 31 4.331 -3.920 -11.832 1.00 0.27 O ATOM 257 CB SER A 31 4.443 -5.673 -9.087 1.00 0.35 C ATOM 258 OG SER A 31 4.961 -6.533 -10.088 1.00 1.15 O ATOM 0 H SER A 31 3.770 -3.825 -7.594 1.00 0.21 H new ATOM 0 HA SER A 31 5.683 -4.026 -9.677 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.944 -5.871 -8.140 1.00 0.35 H new ATOM 0 HB3 SER A 31 3.384 -5.882 -8.937 1.00 0.35 H new ATOM 0 HG SER A 31 4.831 -7.466 -9.817 1.00 1.15 H new ATOM 264 N SER A 32 2.558 -3.506 -10.525 1.00 0.27 N ATOM 265 CA SER A 32 1.689 -3.133 -11.629 1.00 0.30 C ATOM 266 C SER A 32 2.147 -1.809 -12.240 1.00 0.28 C ATOM 267 O SER A 32 2.025 -1.595 -13.451 1.00 0.35 O ATOM 268 CB SER A 32 0.240 -3.027 -11.146 1.00 0.40 C ATOM 269 OG SER A 32 -0.653 -2.823 -12.227 1.00 0.99 O ATOM 0 H SER A 32 2.114 -3.463 -9.608 1.00 0.27 H new ATOM 0 HA SER A 32 1.745 -3.905 -12.397 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.034 -3.937 -10.612 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.150 -2.203 -10.438 1.00 0.40 H new ATOM 0 HG SER A 32 -1.570 -2.761 -11.887 1.00 0.99 H new ATOM 275 N ILE A 33 2.684 -0.926 -11.405 1.00 0.24 N ATOM 276 CA ILE A 33 3.186 0.360 -11.872 1.00 0.26 C ATOM 277 C ILE A 33 4.349 0.161 -12.839 1.00 0.26 C ATOM 278 O ILE A 33 4.397 0.778 -13.904 1.00 0.31 O ATOM 279 CB ILE A 33 3.653 1.264 -10.712 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.543 1.447 -9.676 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.093 2.617 -11.247 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.951 2.316 -8.505 1.00 0.34 C ATOM 0 H ILE A 33 2.783 -1.078 -10.401 1.00 0.24 H new ATOM 0 HA ILE A 33 2.355 0.852 -12.377 1.00 0.26 H new ATOM 0 HB ILE A 33 4.499 0.779 -10.224 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.673 1.889 -10.161 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.238 0.469 -9.304 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.420 3.246 -10.420 1.00 0.43 H new ATOM 0 HG22 ILE A 33 4.917 2.481 -11.947 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.258 3.095 -11.758 1.00 0.43 H new ATOM 0 HD11 ILE A 33 2.117 2.404 -7.809 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.802 1.864 -7.996 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.228 3.306 -8.866 1.00 0.34 H new ATOM 289 N VAL A 34 5.277 -0.712 -12.469 1.00 0.24 N ATOM 290 CA VAL A 34 6.437 -0.984 -13.309 1.00 0.31 C ATOM 291 C VAL A 34 6.079 -1.945 -14.441 1.00 0.37 C ATOM 292 O VAL A 34 6.752 -1.977 -15.471 1.00 0.47 O ATOM 293 CB VAL A 34 7.625 -1.549 -12.497 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.077 -0.548 -11.447 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.268 -2.875 -11.844 1.00 0.33 C ATOM 0 H VAL A 34 5.250 -1.242 -11.598 1.00 0.24 H new ATOM 0 HA VAL A 34 6.746 -0.029 -13.735 1.00 0.31 H new ATOM 0 HB VAL A 34 8.447 -1.726 -13.190 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.914 -0.963 -10.885 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.390 0.375 -11.935 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.252 -0.337 -10.766 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.125 -3.245 -11.281 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.424 -2.733 -11.169 1.00 0.33 H new ATOM 0 HG23 VAL A 34 6.999 -3.599 -12.613 1.00 0.33 H new ATOM 299 N GLU A 35 5.007 -2.708 -14.250 1.00 0.35 N ATOM 300 CA GLU A 35 4.524 -3.631 -15.270 1.00 0.46 C ATOM 301 C GLU A 35 4.082 -2.859 -16.509 1.00 0.50 C ATOM 302 O GLU A 35 4.483 -3.173 -17.628 1.00 0.61 O ATOM 303 CB GLU A 35 3.360 -4.460 -14.724 1.00 0.50 C ATOM 304 CG GLU A 35 2.934 -5.602 -15.631 1.00 0.70 C ATOM 305 CD GLU A 35 4.025 -6.637 -15.807 1.00 1.49 C ATOM 306 OE1 GLU A 35 4.202 -7.475 -14.900 1.00 2.19 O ATOM 307 OE2 GLU A 35 4.718 -6.610 -16.849 1.00 2.22 O ATOM 0 H GLU A 35 4.454 -2.704 -13.393 1.00 0.35 H new ATOM 0 HA GLU A 35 5.335 -4.305 -15.545 1.00 0.46 H new ATOM 0 HB2 GLU A 35 3.642 -4.867 -13.753 1.00 0.50 H new ATOM 0 HB3 GLU A 35 2.506 -3.803 -14.559 1.00 0.50 H new ATOM 0 HG2 GLU A 35 2.047 -6.080 -15.216 1.00 0.70 H new ATOM 0 HG3 GLU A 35 2.655 -5.203 -16.606 1.00 0.70 H new ATOM 314 N LYS A 36 3.264 -1.835 -16.297 1.00 0.47 N ATOM 315 CA LYS A 36 2.808 -0.986 -17.391 1.00 0.54 C ATOM 316 C LYS A 36 3.807 0.141 -17.644 1.00 0.50 C ATOM 317 O LYS A 36 3.633 0.960 -18.545 1.00 0.60 O ATOM 318 CB LYS A 36 1.425 -0.404 -17.079 1.00 0.67 C ATOM 319 CG LYS A 36 1.406 0.497 -15.853 1.00 0.71 C ATOM 320 CD LYS A 36 0.032 1.108 -15.616 1.00 0.97 C ATOM 321 CE LYS A 36 -0.985 0.071 -15.159 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.601 -0.563 -13.869 1.00 2.08 N ATOM 0 H LYS A 36 2.903 -1.573 -15.380 1.00 0.47 H new ATOM 0 HA LYS A 36 2.734 -1.597 -18.291 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.076 0.163 -17.942 1.00 0.67 H new ATOM 0 HB3 LYS A 36 0.721 -1.222 -16.929 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.703 -0.078 -14.976 1.00 0.71 H new ATOM 0 HG3 LYS A 36 2.140 1.293 -15.977 1.00 0.71 H new ATOM 0 HD2 LYS A 36 0.110 1.894 -14.865 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.318 1.578 -16.535 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -1.961 0.544 -15.053 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -1.085 -0.699 -15.924 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.256 -1.342 -13.657 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 0.368 -0.935 -13.940 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 -0.646 0.144 -13.108 1.00 2.08 H new ATOM 336 N LYS A 37 4.850 0.153 -16.812 1.00 0.47 N ATOM 337 CA LYS A 37 5.917 1.151 -16.860 1.00 0.54 C ATOM 338 C LYS A 37 5.351 2.569 -16.829 1.00 0.59 C ATOM 339 O LYS A 37 5.677 3.403 -17.670 1.00 0.75 O ATOM 340 CB LYS A 37 6.800 0.950 -18.096 1.00 0.71 C ATOM 341 CG LYS A 37 8.176 1.583 -17.958 1.00 1.18 C ATOM 342 CD LYS A 37 9.010 1.408 -19.217 1.00 1.41 C ATOM 343 CE LYS A 37 8.529 2.308 -20.344 1.00 1.98 C ATOM 344 NZ LYS A 37 8.690 3.750 -20.011 1.00 2.60 N ATOM 0 H LYS A 37 4.978 -0.541 -16.076 1.00 0.47 H new ATOM 0 HA LYS A 37 6.535 1.016 -15.972 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.915 -0.118 -18.283 1.00 0.71 H new ATOM 0 HB3 LYS A 37 6.298 1.373 -18.966 1.00 0.71 H new ATOM 0 HG2 LYS A 37 8.067 2.645 -17.740 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.698 1.136 -17.112 1.00 1.18 H new ATOM 0 HD2 LYS A 37 10.054 1.630 -18.995 1.00 1.41 H new ATOM 0 HD3 LYS A 37 8.967 0.368 -19.539 1.00 1.41 H new ATOM 0 HE2 LYS A 37 9.086 2.081 -21.253 1.00 1.98 H new ATOM 0 HE3 LYS A 37 7.480 2.099 -20.553 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 8.664 4.313 -20.885 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 7.917 4.050 -19.383 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.602 3.896 -19.532 1.00 2.60 H new ATOM 358 N GLU A 38 4.514 2.838 -15.838 1.00 0.54 N ATOM 359 CA GLU A 38 3.882 4.141 -15.706 1.00 0.68 C ATOM 360 C GLU A 38 4.832 5.066 -14.964 1.00 0.69 C ATOM 361 O GLU A 38 4.851 6.277 -15.174 1.00 1.03 O ATOM 362 CB GLU A 38 2.546 3.990 -14.959 1.00 0.79 C ATOM 363 CG GLU A 38 1.612 5.192 -15.054 1.00 1.36 C ATOM 364 CD GLU A 38 1.911 6.269 -14.031 1.00 1.41 C ATOM 365 OE1 GLU A 38 1.719 6.019 -12.822 1.00 2.12 O ATOM 366 OE2 GLU A 38 2.316 7.377 -14.429 1.00 1.86 O ATOM 0 H GLU A 38 4.257 2.169 -15.112 1.00 0.54 H new ATOM 0 HA GLU A 38 3.670 4.569 -16.686 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.027 3.114 -15.349 1.00 0.79 H new ATOM 0 HB3 GLU A 38 2.756 3.795 -13.907 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.684 5.621 -16.054 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.584 4.855 -14.925 1.00 1.36 H new ATOM 373 N ILE A 39 5.657 4.458 -14.133 1.00 0.42 N ATOM 374 CA ILE A 39 6.615 5.189 -13.323 1.00 0.43 C ATOM 375 C ILE A 39 7.944 5.322 -14.069 1.00 0.48 C ATOM 376 O ILE A 39 8.241 4.530 -14.967 1.00 0.51 O ATOM 377 CB ILE A 39 6.822 4.476 -11.967 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.501 5.400 -10.958 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.629 3.192 -12.146 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.483 4.857 -9.546 1.00 0.47 C ATOM 0 H ILE A 39 5.683 3.447 -14.000 1.00 0.42 H new ATOM 0 HA ILE A 39 6.225 6.188 -13.131 1.00 0.43 H new ATOM 0 HB ILE A 39 5.839 4.212 -11.576 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.534 5.565 -11.264 1.00 0.45 H new ATOM 0 HG13 ILE A 39 7.006 6.371 -10.973 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.762 2.708 -11.178 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.097 2.519 -12.819 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.605 3.431 -12.569 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.981 5.561 -8.879 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.451 4.718 -9.223 1.00 0.47 H new ATOM 0 HD13 ILE A 39 8.004 3.900 -9.518 1.00 0.47 H new ATOM 387 N SER A 40 8.725 6.335 -13.711 1.00 0.54 N ATOM 388 CA SER A 40 10.003 6.579 -14.360 1.00 0.62 C ATOM 389 C SER A 40 11.056 5.582 -13.878 1.00 0.53 C ATOM 390 O SER A 40 10.853 4.904 -12.870 1.00 0.48 O ATOM 391 CB SER A 40 10.464 8.015 -14.091 1.00 0.76 C ATOM 392 OG SER A 40 11.660 8.311 -14.792 1.00 1.82 O ATOM 0 H SER A 40 8.493 7.000 -12.973 1.00 0.54 H new ATOM 0 HA SER A 40 9.876 6.445 -15.434 1.00 0.62 H new ATOM 0 HB2 SER A 40 9.682 8.713 -14.391 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.623 8.154 -13.022 1.00 0.76 H new ATOM 0 HG SER A 40 11.930 9.234 -14.603 1.00 1.82 H new ATOM 398 N GLU A 41 12.176 5.510 -14.593 1.00 0.59 N ATOM 399 CA GLU A 41 13.230 4.534 -14.310 1.00 0.60 C ATOM 400 C GLU A 41 13.659 4.570 -12.845 1.00 0.49 C ATOM 401 O GLU A 41 13.690 3.535 -12.175 1.00 0.46 O ATOM 402 CB GLU A 41 14.438 4.800 -15.206 1.00 0.78 C ATOM 403 CG GLU A 41 14.131 4.691 -16.688 1.00 1.07 C ATOM 404 CD GLU A 41 13.724 3.293 -17.099 1.00 1.43 C ATOM 405 OE1 GLU A 41 12.518 2.982 -17.063 1.00 1.99 O ATOM 406 OE2 GLU A 41 14.613 2.497 -17.476 1.00 2.19 O ATOM 0 H GLU A 41 12.380 6.123 -15.382 1.00 0.59 H new ATOM 0 HA GLU A 41 12.826 3.543 -14.516 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.823 5.798 -14.996 1.00 0.78 H new ATOM 0 HB3 GLU A 41 15.229 4.094 -14.954 1.00 0.78 H new ATOM 0 HG2 GLU A 41 13.331 5.387 -16.941 1.00 1.07 H new ATOM 0 HG3 GLU A 41 15.009 4.992 -17.260 1.00 1.07 H new ATOM 413 N ASP A 42 13.966 5.769 -12.351 1.00 0.52 N ATOM 414 CA ASP A 42 14.411 5.948 -10.968 1.00 0.52 C ATOM 415 C ASP A 42 13.390 5.384 -9.991 1.00 0.43 C ATOM 416 O ASP A 42 13.740 4.685 -9.040 1.00 0.47 O ATOM 417 CB ASP A 42 14.643 7.430 -10.658 1.00 0.62 C ATOM 418 CG ASP A 42 15.772 8.031 -11.463 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.945 7.867 -11.068 1.00 2.21 O ATOM 420 OD2 ASP A 42 15.493 8.684 -12.494 1.00 2.30 O ATOM 0 H ASP A 42 13.915 6.634 -12.889 1.00 0.52 H new ATOM 0 HA ASP A 42 15.350 5.407 -10.854 1.00 0.52 H new ATOM 0 HB2 ASP A 42 13.726 7.985 -10.857 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.860 7.544 -9.596 1.00 0.62 H new ATOM 425 N GLY A 43 12.124 5.684 -10.240 1.00 0.39 N ATOM 426 CA GLY A 43 11.068 5.200 -9.379 1.00 0.37 C ATOM 427 C GLY A 43 10.888 3.702 -9.483 1.00 0.34 C ATOM 428 O GLY A 43 10.587 3.037 -8.494 1.00 0.35 O ATOM 0 H GLY A 43 11.810 6.255 -11.025 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.293 5.466 -8.346 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.133 5.696 -9.640 1.00 0.37 H new ATOM 432 N ALA A 44 11.085 3.171 -10.682 1.00 0.33 N ATOM 433 CA ALA A 44 10.953 1.742 -10.920 1.00 0.33 C ATOM 434 C ALA A 44 11.981 0.957 -10.109 1.00 0.32 C ATOM 435 O ALA A 44 11.638 -0.013 -9.432 1.00 0.31 O ATOM 436 CB ALA A 44 11.093 1.442 -12.403 1.00 0.38 C ATOM 0 H ALA A 44 11.338 3.713 -11.508 1.00 0.33 H new ATOM 0 HA ALA A 44 9.961 1.428 -10.594 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.992 0.369 -12.568 1.00 0.38 H new ATOM 0 HB2 ALA A 44 10.315 1.969 -12.956 1.00 0.38 H new ATOM 0 HB3 ALA A 44 12.072 1.772 -12.750 1.00 0.38 H new ATOM 442 N ASP A 45 13.237 1.394 -10.163 1.00 0.36 N ATOM 443 CA ASP A 45 14.300 0.763 -9.379 1.00 0.38 C ATOM 444 C ASP A 45 14.040 0.936 -7.893 1.00 0.36 C ATOM 445 O ASP A 45 14.339 0.053 -7.086 1.00 0.37 O ATOM 446 CB ASP A 45 15.671 1.355 -9.718 1.00 0.48 C ATOM 447 CG ASP A 45 16.192 0.917 -11.069 1.00 1.11 C ATOM 448 OD1 ASP A 45 16.588 -0.261 -11.203 1.00 1.84 O ATOM 449 OD2 ASP A 45 16.225 1.751 -11.998 1.00 1.81 O ATOM 0 H ASP A 45 13.544 2.178 -10.738 1.00 0.36 H new ATOM 0 HA ASP A 45 14.302 -0.297 -9.631 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.605 2.443 -9.697 1.00 0.48 H new ATOM 0 HB3 ASP A 45 16.386 1.064 -8.948 1.00 0.48 H new ATOM 454 N SER A 46 13.478 2.082 -7.539 1.00 0.38 N ATOM 455 CA SER A 46 13.169 2.392 -6.155 1.00 0.41 C ATOM 456 C SER A 46 12.086 1.452 -5.626 1.00 0.36 C ATOM 457 O SER A 46 12.139 1.006 -4.480 1.00 0.39 O ATOM 458 CB SER A 46 12.725 3.854 -6.044 1.00 0.51 C ATOM 459 OG SER A 46 12.731 4.299 -4.702 1.00 0.98 O ATOM 0 H SER A 46 13.226 2.817 -8.199 1.00 0.38 H new ATOM 0 HA SER A 46 14.062 2.249 -5.547 1.00 0.41 H new ATOM 0 HB2 SER A 46 13.388 4.482 -6.639 1.00 0.51 H new ATOM 0 HB3 SER A 46 11.723 3.963 -6.460 1.00 0.51 H new ATOM 0 HG SER A 46 11.868 4.714 -4.491 1.00 0.98 H new ATOM 465 N LEU A 47 11.115 1.129 -6.474 1.00 0.32 N ATOM 466 CA LEU A 47 10.044 0.215 -6.094 1.00 0.30 C ATOM 467 C LEU A 47 10.569 -1.204 -5.915 1.00 0.27 C ATOM 468 O LEU A 47 9.997 -1.992 -5.165 1.00 0.29 O ATOM 469 CB LEU A 47 8.921 0.226 -7.135 1.00 0.30 C ATOM 470 CG LEU A 47 8.072 1.499 -7.171 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.011 1.402 -8.255 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.425 1.746 -5.815 1.00 0.41 C ATOM 0 H LEU A 47 11.048 1.486 -7.427 1.00 0.32 H new ATOM 0 HA LEU A 47 9.644 0.560 -5.141 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.361 0.075 -8.121 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.264 -0.623 -6.945 1.00 0.30 H new ATOM 0 HG LEU A 47 8.725 2.341 -7.402 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.417 2.316 -8.266 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.492 1.270 -9.224 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.362 0.550 -8.054 1.00 0.39 H new ATOM 0 HD21 LEU A 47 6.825 2.655 -5.858 1.00 0.41 H new ATOM 0 HD22 LEU A 47 6.786 0.901 -5.557 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.200 1.859 -5.057 1.00 0.41 H new ATOM 484 N ASN A 48 11.658 -1.522 -6.599 1.00 0.26 N ATOM 485 CA ASN A 48 12.251 -2.853 -6.516 1.00 0.26 C ATOM 486 C ASN A 48 12.804 -3.112 -5.118 1.00 0.28 C ATOM 487 O ASN A 48 12.424 -4.089 -4.468 1.00 0.32 O ATOM 488 CB ASN A 48 13.359 -3.022 -7.560 1.00 0.28 C ATOM 489 CG ASN A 48 12.843 -2.996 -8.989 1.00 0.33 C ATOM 490 OD1 ASN A 48 13.530 -2.534 -9.899 1.00 0.48 O ATOM 491 ND2 ASN A 48 11.636 -3.503 -9.200 1.00 0.40 N ATOM 0 H ASN A 48 12.151 -0.878 -7.218 1.00 0.26 H new ATOM 0 HA ASN A 48 11.467 -3.582 -6.721 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.095 -2.228 -7.432 1.00 0.28 H new ATOM 0 HB3 ASN A 48 13.875 -3.966 -7.384 1.00 0.28 H new ATOM 0 HD21 ASN A 48 11.247 -3.519 -10.143 1.00 0.40 H new ATOM 0 HD22 ASN A 48 11.096 -3.877 -8.419 1.00 0.40 H new ATOM 498 N VAL A 49 13.685 -2.229 -4.649 1.00 0.27 N ATOM 499 CA VAL A 49 14.257 -2.369 -3.313 1.00 0.29 C ATOM 500 C VAL A 49 13.167 -2.232 -2.255 1.00 0.30 C ATOM 501 O VAL A 49 13.165 -2.956 -1.257 1.00 0.32 O ATOM 502 CB VAL A 49 15.396 -1.348 -3.042 1.00 0.32 C ATOM 503 CG1 VAL A 49 14.923 0.083 -3.228 1.00 0.34 C ATOM 504 CG2 VAL A 49 15.969 -1.536 -1.641 1.00 0.36 C ATOM 0 H VAL A 49 14.015 -1.417 -5.170 1.00 0.27 H new ATOM 0 HA VAL A 49 14.698 -3.364 -3.258 1.00 0.29 H new ATOM 0 HB VAL A 49 16.182 -1.538 -3.773 1.00 0.32 H new ATOM 0 HG11 VAL A 49 15.748 0.768 -3.030 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.575 0.221 -4.252 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.106 0.289 -2.536 1.00 0.34 H new ATOM 0 HG21 VAL A 49 16.765 -0.811 -1.473 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.181 -1.387 -0.903 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.371 -2.545 -1.545 1.00 0.36 H new ATOM 508 N ALA A 50 12.223 -1.328 -2.497 1.00 0.30 N ATOM 509 CA ALA A 50 11.096 -1.144 -1.598 1.00 0.34 C ATOM 510 C ALA A 50 10.317 -2.440 -1.453 1.00 0.34 C ATOM 511 O ALA A 50 9.998 -2.860 -0.348 1.00 0.37 O ATOM 512 CB ALA A 50 10.182 -0.038 -2.104 1.00 0.37 C ATOM 0 H ALA A 50 12.219 -0.712 -3.310 1.00 0.30 H new ATOM 0 HA ALA A 50 11.482 -0.855 -0.621 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.344 0.084 -1.417 1.00 0.37 H new ATOM 0 HB2 ALA A 50 10.741 0.896 -2.165 1.00 0.37 H new ATOM 0 HB3 ALA A 50 9.805 -0.301 -3.092 1.00 0.37 H new ATOM 518 N MET A 51 10.050 -3.081 -2.583 1.00 0.34 N ATOM 519 CA MET A 51 9.247 -4.297 -2.620 1.00 0.39 C ATOM 520 C MET A 51 9.902 -5.419 -1.837 1.00 0.31 C ATOM 521 O MET A 51 9.228 -6.163 -1.120 1.00 0.30 O ATOM 522 CB MET A 51 9.034 -4.729 -4.060 1.00 0.52 C ATOM 523 CG MET A 51 7.927 -5.747 -4.232 1.00 0.62 C ATOM 524 SD MET A 51 7.192 -5.649 -5.868 1.00 0.65 S ATOM 525 CE MET A 51 6.905 -3.884 -5.949 1.00 0.41 C ATOM 0 H MET A 51 10.382 -2.774 -3.497 1.00 0.34 H new ATOM 0 HA MET A 51 8.285 -4.080 -2.155 1.00 0.39 H new ATOM 0 HB2 MET A 51 8.805 -3.851 -4.664 1.00 0.52 H new ATOM 0 HB3 MET A 51 9.964 -5.147 -4.446 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.324 -6.749 -4.070 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.159 -5.582 -3.476 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.079 -3.681 -6.631 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.656 -3.510 -4.956 1.00 0.41 H new ATOM 0 HE3 MET A 51 7.805 -3.385 -6.310 1.00 0.41 H new ATOM 535 N ASP A 52 11.212 -5.548 -1.989 1.00 0.31 N ATOM 536 CA ASP A 52 11.969 -6.525 -1.222 1.00 0.32 C ATOM 537 C ASP A 52 11.822 -6.238 0.262 1.00 0.28 C ATOM 538 O ASP A 52 11.578 -7.138 1.060 1.00 0.30 O ATOM 539 CB ASP A 52 13.446 -6.498 -1.614 1.00 0.42 C ATOM 540 CG ASP A 52 14.289 -7.409 -0.741 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.279 -8.640 -0.967 1.00 1.84 O ATOM 542 OD2 ASP A 52 14.965 -6.899 0.176 1.00 1.99 O ATOM 0 H ASP A 52 11.771 -4.990 -2.635 1.00 0.31 H new ATOM 0 HA ASP A 52 11.575 -7.517 -1.441 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.549 -6.800 -2.656 1.00 0.42 H new ATOM 0 HB3 ASP A 52 13.821 -5.477 -1.539 1.00 0.42 H new ATOM 547 N CYS A 53 11.930 -4.965 0.610 1.00 0.27 N ATOM 548 CA CYS A 53 11.824 -4.532 1.992 1.00 0.27 C ATOM 549 C CYS A 53 10.411 -4.747 2.541 1.00 0.29 C ATOM 550 O CYS A 53 10.252 -5.129 3.699 1.00 0.36 O ATOM 551 CB CYS A 53 12.226 -3.064 2.101 1.00 0.36 C ATOM 552 SG CYS A 53 13.913 -2.734 1.547 1.00 1.05 S ATOM 0 H CYS A 53 12.093 -4.208 -0.054 1.00 0.27 H new ATOM 0 HA CYS A 53 12.502 -5.137 2.595 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.535 -2.462 1.512 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.124 -2.744 3.138 1.00 0.36 H new ATOM 0 HG CYS A 53 13.948 -2.718 0.248 1.00 1.05 H new ATOM 558 N ILE A 54 9.394 -4.504 1.715 1.00 0.26 N ATOM 559 CA ILE A 54 8.008 -4.756 2.112 1.00 0.29 C ATOM 560 C ILE A 54 7.830 -6.233 2.451 1.00 0.30 C ATOM 561 O ILE A 54 7.344 -6.588 3.525 1.00 0.33 O ATOM 562 CB ILE A 54 6.995 -4.383 0.998 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.184 -2.933 0.539 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.567 -4.591 1.495 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.384 -2.568 -0.699 1.00 0.34 C ATOM 0 H ILE A 54 9.502 -4.134 0.770 1.00 0.26 H new ATOM 0 HA ILE A 54 7.807 -4.128 2.980 1.00 0.29 H new ATOM 0 HB ILE A 54 7.178 -5.036 0.145 1.00 0.29 H new ATOM 0 HG12 ILE A 54 6.900 -2.265 1.352 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.242 -2.761 0.340 1.00 0.31 H new ATOM 0 HG21 ILE A 54 4.865 -4.326 0.705 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.426 -5.636 1.770 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.389 -3.959 2.365 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.572 -1.526 -0.960 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.684 -3.209 -1.528 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.321 -2.706 -0.499 1.00 0.34 H new ATOM 572 N SER A 55 8.266 -7.082 1.533 1.00 0.30 N ATOM 573 CA SER A 55 8.145 -8.523 1.689 1.00 0.36 C ATOM 574 C SER A 55 8.964 -9.008 2.882 1.00 0.38 C ATOM 575 O SER A 55 8.494 -9.815 3.689 1.00 0.41 O ATOM 576 CB SER A 55 8.614 -9.209 0.407 1.00 0.40 C ATOM 577 OG SER A 55 7.984 -8.635 -0.728 1.00 0.80 O ATOM 0 H SER A 55 8.712 -6.793 0.662 1.00 0.30 H new ATOM 0 HA SER A 55 7.101 -8.775 1.875 1.00 0.36 H new ATOM 0 HB2 SER A 55 9.696 -9.117 0.314 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.388 -10.274 0.455 1.00 0.40 H new ATOM 0 HG SER A 55 8.463 -7.822 -0.991 1.00 0.80 H new ATOM 583 N GLU A 56 10.180 -8.487 2.998 1.00 0.39 N ATOM 584 CA GLU A 56 11.087 -8.842 4.082 1.00 0.48 C ATOM 585 C GLU A 56 10.495 -8.441 5.431 1.00 0.43 C ATOM 586 O GLU A 56 10.668 -9.135 6.431 1.00 0.46 O ATOM 587 CB GLU A 56 12.431 -8.135 3.874 1.00 0.60 C ATOM 588 CG GLU A 56 13.557 -8.665 4.742 1.00 0.83 C ATOM 589 CD GLU A 56 13.953 -10.079 4.377 1.00 1.81 C ATOM 590 OE1 GLU A 56 14.473 -10.288 3.260 1.00 2.38 O ATOM 591 OE2 GLU A 56 13.749 -10.992 5.203 1.00 2.66 O ATOM 0 H GLU A 56 10.565 -7.806 2.343 1.00 0.39 H new ATOM 0 HA GLU A 56 11.236 -9.922 4.078 1.00 0.48 H new ATOM 0 HB2 GLU A 56 12.720 -8.230 2.827 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.303 -7.071 4.075 1.00 0.60 H new ATOM 0 HG2 GLU A 56 14.424 -8.012 4.645 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.250 -8.635 5.788 1.00 0.83 H new ATOM 598 N ALA A 57 9.784 -7.319 5.440 1.00 0.39 N ATOM 599 CA ALA A 57 9.213 -6.777 6.664 1.00 0.39 C ATOM 600 C ALA A 57 8.063 -7.632 7.178 1.00 0.33 C ATOM 601 O ALA A 57 8.014 -7.973 8.359 1.00 0.39 O ATOM 602 CB ALA A 57 8.745 -5.348 6.435 1.00 0.42 C ATOM 0 H ALA A 57 9.589 -6.765 4.606 1.00 0.39 H new ATOM 0 HA ALA A 57 9.993 -6.783 7.425 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.320 -4.952 7.357 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.592 -4.732 6.132 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.988 -5.334 5.651 1.00 0.42 H new ATOM 608 N PHE A 58 7.142 -7.980 6.291 1.00 0.29 N ATOM 609 CA PHE A 58 5.967 -8.751 6.682 1.00 0.28 C ATOM 610 C PHE A 58 6.295 -10.234 6.818 1.00 0.30 C ATOM 611 O PHE A 58 5.601 -10.975 7.516 1.00 0.38 O ATOM 612 CB PHE A 58 4.834 -8.553 5.678 1.00 0.26 C ATOM 613 CG PHE A 58 4.198 -7.191 5.734 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.876 -6.072 5.275 1.00 1.18 C ATOM 615 CD2 PHE A 58 2.918 -7.032 6.236 1.00 1.24 C ATOM 616 CE1 PHE A 58 4.288 -4.823 5.318 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.326 -5.784 6.282 1.00 1.22 C ATOM 618 CZ PHE A 58 3.012 -4.680 5.821 1.00 0.28 C ATOM 0 H PHE A 58 7.183 -7.743 5.300 1.00 0.29 H new ATOM 0 HA PHE A 58 5.643 -8.385 7.656 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.220 -8.722 4.673 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.068 -9.308 5.856 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.875 -6.178 4.879 1.00 1.18 H new ATOM 0 HD2 PHE A 58 2.375 -7.894 6.596 1.00 1.24 H new ATOM 0 HE1 PHE A 58 4.827 -3.959 4.958 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.327 -5.673 6.678 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.550 -3.704 5.854 1.00 0.28 H new ATOM 628 N GLY A 59 7.355 -10.659 6.146 1.00 0.34 N ATOM 629 CA GLY A 59 7.810 -12.026 6.269 1.00 0.39 C ATOM 630 C GLY A 59 7.251 -12.932 5.195 1.00 0.38 C ATOM 631 O GLY A 59 6.752 -14.017 5.491 1.00 0.43 O ATOM 0 H GLY A 59 7.909 -10.078 5.516 1.00 0.34 H new ATOM 0 HA2 GLY A 59 8.899 -12.046 6.224 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.524 -12.412 7.248 1.00 0.39 H new ATOM 635 N PHE A 60 7.321 -12.488 3.948 1.00 0.35 N ATOM 636 CA PHE A 60 6.899 -13.309 2.823 1.00 0.39 C ATOM 637 C PHE A 60 7.807 -13.056 1.629 1.00 0.40 C ATOM 638 O PHE A 60 8.595 -12.109 1.633 1.00 0.42 O ATOM 639 CB PHE A 60 5.428 -13.041 2.452 1.00 0.40 C ATOM 640 CG PHE A 60 5.144 -11.668 1.897 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.252 -11.417 0.537 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.745 -10.637 2.731 1.00 1.22 C ATOM 643 CE1 PHE A 60 4.975 -10.165 0.021 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.465 -9.383 2.220 1.00 1.20 C ATOM 645 CZ PHE A 60 4.581 -9.146 0.865 1.00 0.33 C ATOM 0 H PHE A 60 7.666 -11.563 3.690 1.00 0.35 H new ATOM 0 HA PHE A 60 6.978 -14.356 3.115 1.00 0.39 H new ATOM 0 HB2 PHE A 60 5.114 -13.784 1.718 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.813 -13.190 3.340 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.557 -12.211 -0.128 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.651 -10.814 3.792 1.00 1.22 H new ATOM 0 HE1 PHE A 60 5.067 -9.984 -1.040 1.00 1.22 H new ATOM 0 HE2 PHE A 60 4.155 -8.588 2.882 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.364 -8.166 0.466 1.00 0.33 H new ATOM 655 N GLU A 61 7.711 -13.912 0.626 1.00 0.48 N ATOM 656 CA GLU A 61 8.516 -13.765 -0.576 1.00 0.55 C ATOM 657 C GLU A 61 7.680 -13.188 -1.708 1.00 0.50 C ATOM 658 O GLU A 61 6.472 -13.412 -1.782 1.00 0.48 O ATOM 659 CB GLU A 61 9.096 -15.113 -1.003 1.00 0.70 C ATOM 660 CG GLU A 61 10.003 -15.748 0.037 1.00 0.81 C ATOM 661 CD GLU A 61 10.724 -16.964 -0.499 1.00 1.48 C ATOM 662 OE1 GLU A 61 10.144 -18.068 -0.472 1.00 2.05 O ATOM 663 OE2 GLU A 61 11.874 -16.815 -0.961 1.00 2.33 O ATOM 0 H GLU A 61 7.084 -14.716 0.619 1.00 0.48 H new ATOM 0 HA GLU A 61 9.335 -13.082 -0.353 1.00 0.55 H new ATOM 0 HB2 GLU A 61 8.276 -15.797 -1.223 1.00 0.70 H new ATOM 0 HB3 GLU A 61 9.657 -14.980 -1.928 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.734 -15.014 0.375 1.00 0.81 H new ATOM 0 HG3 GLU A 61 9.411 -16.033 0.907 1.00 0.81 H new ATOM 670 N ARG A 62 8.343 -12.457 -2.596 1.00 0.54 N ATOM 671 CA ARG A 62 7.684 -11.805 -3.724 1.00 0.53 C ATOM 672 C ARG A 62 7.196 -12.831 -4.736 1.00 0.53 C ATOM 673 O ARG A 62 6.327 -12.548 -5.552 1.00 0.64 O ATOM 674 CB ARG A 62 8.647 -10.829 -4.393 1.00 0.63 C ATOM 675 CG ARG A 62 9.118 -9.721 -3.470 1.00 1.40 C ATOM 676 CD ARG A 62 10.247 -8.922 -4.091 1.00 1.46 C ATOM 677 NE ARG A 62 9.854 -8.310 -5.356 1.00 2.25 N ATOM 678 CZ ARG A 62 10.690 -7.640 -6.144 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.967 -7.506 -5.803 1.00 2.13 N ATOM 680 NH2 ARG A 62 10.246 -7.110 -7.277 1.00 3.67 N ATOM 0 H ARG A 62 9.350 -12.299 -2.556 1.00 0.54 H new ATOM 0 HA ARG A 62 6.819 -11.259 -3.348 1.00 0.53 H new ATOM 0 HB2 ARG A 62 9.513 -11.379 -4.760 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.159 -10.386 -5.261 1.00 0.63 H new ATOM 0 HG2 ARG A 62 8.284 -9.057 -3.242 1.00 1.40 H new ATOM 0 HG3 ARG A 62 9.452 -10.150 -2.525 1.00 1.40 H new ATOM 0 HD2 ARG A 62 10.566 -8.145 -3.396 1.00 1.46 H new ATOM 0 HD3 ARG A 62 11.105 -9.574 -4.255 1.00 1.46 H new ATOM 0 HE ARG A 62 8.882 -8.401 -5.653 1.00 2.25 H new ATOM 0 HH11 ARG A 62 12.309 -7.918 -4.935 1.00 2.13 H new ATOM 0 HH12 ARG A 62 12.606 -6.992 -6.410 1.00 2.13 H new ATOM 0 HH21 ARG A 62 9.267 -7.217 -7.541 1.00 3.67 H new ATOM 0 HH22 ARG A 62 10.884 -6.595 -7.884 1.00 3.67 H new ATOM 694 N GLU A 63 7.769 -14.022 -4.675 1.00 0.58 N ATOM 695 CA GLU A 63 7.339 -15.124 -5.524 1.00 0.64 C ATOM 696 C GLU A 63 6.100 -15.795 -4.940 1.00 0.63 C ATOM 697 O GLU A 63 5.500 -16.671 -5.563 1.00 0.75 O ATOM 698 CB GLU A 63 8.466 -16.148 -5.665 1.00 0.74 C ATOM 699 CG GLU A 63 9.022 -16.614 -4.331 1.00 1.70 C ATOM 700 CD GLU A 63 10.053 -17.709 -4.473 1.00 2.53 C ATOM 701 OE1 GLU A 63 11.201 -17.407 -4.855 1.00 3.20 O ATOM 702 OE2 GLU A 63 9.722 -18.881 -4.198 1.00 3.12 O ATOM 0 H GLU A 63 8.537 -14.252 -4.044 1.00 0.58 H new ATOM 0 HA GLU A 63 7.091 -14.727 -6.508 1.00 0.64 H new ATOM 0 HB2 GLU A 63 8.097 -17.011 -6.219 1.00 0.74 H new ATOM 0 HB3 GLU A 63 9.272 -15.712 -6.255 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.470 -15.766 -3.814 1.00 1.70 H new ATOM 0 HG3 GLU A 63 8.203 -16.972 -3.707 1.00 1.70 H new ATOM 709 N ALA A 64 5.729 -15.387 -3.735 1.00 0.55 N ATOM 710 CA ALA A 64 4.591 -15.975 -3.047 1.00 0.60 C ATOM 711 C ALA A 64 3.431 -14.993 -2.965 1.00 0.54 C ATOM 712 O ALA A 64 2.436 -15.249 -2.287 1.00 0.57 O ATOM 713 CB ALA A 64 4.997 -16.433 -1.656 1.00 0.67 C ATOM 0 H ALA A 64 6.202 -14.649 -3.213 1.00 0.55 H new ATOM 0 HA ALA A 64 4.258 -16.840 -3.621 1.00 0.60 H new ATOM 0 HB1 ALA A 64 4.136 -16.871 -1.151 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.789 -17.178 -1.735 1.00 0.67 H new ATOM 0 HB3 ALA A 64 5.358 -15.579 -1.083 1.00 0.67 H new ATOM 719 N VAL A 65 3.554 -13.871 -3.667 1.00 0.51 N ATOM 720 CA VAL A 65 2.506 -12.858 -3.661 1.00 0.47 C ATOM 721 C VAL A 65 1.235 -13.405 -4.310 1.00 0.53 C ATOM 722 O VAL A 65 0.125 -13.110 -3.868 1.00 0.54 O ATOM 723 CB VAL A 65 2.956 -11.551 -4.363 1.00 0.47 C ATOM 724 CG1 VAL A 65 3.351 -11.798 -5.807 1.00 0.51 C ATOM 725 CG2 VAL A 65 1.870 -10.491 -4.292 1.00 0.50 C ATOM 0 H VAL A 65 4.364 -13.642 -4.244 1.00 0.51 H new ATOM 0 HA VAL A 65 2.296 -12.610 -2.620 1.00 0.47 H new ATOM 0 HB VAL A 65 3.834 -11.188 -3.830 1.00 0.47 H new ATOM 0 HG11 VAL A 65 3.660 -10.859 -6.265 1.00 0.51 H new ATOM 0 HG12 VAL A 65 4.177 -12.508 -5.842 1.00 0.51 H new ATOM 0 HG13 VAL A 65 2.500 -12.205 -6.353 1.00 0.51 H new ATOM 0 HG21 VAL A 65 2.213 -9.585 -4.792 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.970 -10.859 -4.784 1.00 0.50 H new ATOM 0 HG23 VAL A 65 1.647 -10.267 -3.249 1.00 0.50 H new ATOM 729 N SER A 66 1.406 -14.239 -5.332 1.00 0.63 N ATOM 730 CA SER A 66 0.279 -14.885 -5.990 1.00 0.75 C ATOM 731 C SER A 66 -0.370 -15.906 -5.059 1.00 0.76 C ATOM 732 O SER A 66 -1.567 -16.179 -5.150 1.00 0.84 O ATOM 733 CB SER A 66 0.748 -15.556 -7.282 1.00 0.89 C ATOM 734 OG SER A 66 1.904 -16.345 -7.052 1.00 1.63 O ATOM 0 H SER A 66 2.317 -14.482 -5.722 1.00 0.63 H new ATOM 0 HA SER A 66 -0.467 -14.130 -6.237 1.00 0.75 H new ATOM 0 HB2 SER A 66 -0.050 -16.181 -7.682 1.00 0.89 H new ATOM 0 HB3 SER A 66 0.965 -14.796 -8.033 1.00 0.89 H new ATOM 0 HG SER A 66 2.185 -16.766 -7.891 1.00 1.63 H new ATOM 740 N GLY A 67 0.434 -16.462 -4.158 1.00 0.73 N ATOM 741 CA GLY A 67 -0.078 -17.392 -3.173 1.00 0.75 C ATOM 742 C GLY A 67 -0.928 -16.692 -2.135 1.00 0.70 C ATOM 743 O GLY A 67 -1.990 -17.185 -1.748 1.00 0.76 O ATOM 0 H GLY A 67 1.436 -16.282 -4.094 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -0.670 -18.161 -3.670 1.00 0.75 H new ATOM 0 HA3 GLY A 67 0.754 -17.898 -2.682 1.00 0.75 H new ATOM 747 N ILE A 68 -0.464 -15.537 -1.679 1.00 0.63 N ATOM 748 CA ILE A 68 -1.222 -14.734 -0.732 1.00 0.59 C ATOM 749 C ILE A 68 -2.489 -14.200 -1.390 1.00 0.63 C ATOM 750 O ILE A 68 -3.588 -14.364 -0.863 1.00 0.71 O ATOM 751 CB ILE A 68 -0.391 -13.551 -0.189 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.898 -14.059 0.462 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.212 -12.747 0.812 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.802 -12.953 0.963 1.00 0.45 C ATOM 0 H ILE A 68 0.434 -15.136 -1.950 1.00 0.63 H new ATOM 0 HA ILE A 68 -1.483 -15.381 0.106 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.123 -12.901 -1.022 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.641 -14.712 1.296 1.00 0.50 H new ATOM 0 HG13 ILE A 68 1.445 -14.665 -0.260 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -0.615 -11.916 1.188 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.106 -12.360 0.322 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -1.503 -13.389 1.643 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.695 -13.388 1.412 1.00 0.45 H new ATOM 0 HD12 ILE A 68 2.090 -12.313 0.129 1.00 0.45 H new ATOM 0 HD13 ILE A 68 1.273 -12.361 1.710 1.00 0.45 H new ATOM 761 N LEU A 69 -2.332 -13.607 -2.572 1.00 0.62 N ATOM 762 CA LEU A 69 -3.458 -13.026 -3.301 1.00 0.67 C ATOM 763 C LEU A 69 -4.343 -14.101 -3.921 1.00 0.85 C ATOM 764 O LEU A 69 -5.273 -13.795 -4.657 1.00 1.14 O ATOM 765 CB LEU A 69 -2.965 -12.070 -4.389 1.00 0.62 C ATOM 766 CG LEU A 69 -2.278 -10.803 -3.879 1.00 0.47 C ATOM 767 CD1 LEU A 69 -1.816 -9.945 -5.044 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.214 -10.015 -2.974 1.00 0.45 C ATOM 0 H LEU A 69 -1.434 -13.516 -3.046 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.055 -12.469 -2.579 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -2.269 -12.607 -5.034 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -3.814 -11.780 -5.008 1.00 0.62 H new ATOM 0 HG LEU A 69 -1.404 -11.095 -3.297 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -1.329 -9.047 -4.664 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -1.111 -10.509 -5.654 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -2.676 -9.662 -5.651 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -2.708 -9.117 -2.621 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.107 -9.733 -3.532 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.499 -10.630 -2.121 1.00 0.45 H new ATOM 780 N GLY A 70 -4.036 -15.355 -3.640 1.00 0.81 N ATOM 781 CA GLY A 70 -4.877 -16.437 -4.095 1.00 0.94 C ATOM 782 C GLY A 70 -5.798 -16.928 -3.000 1.00 0.99 C ATOM 783 O GLY A 70 -6.818 -17.563 -3.269 1.00 1.25 O ATOM 0 H GLY A 70 -3.218 -15.643 -3.104 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -5.470 -16.104 -4.947 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -4.254 -17.261 -4.443 1.00 0.94 H new ATOM 787 N LYS A 71 -5.442 -16.620 -1.759 1.00 0.87 N ATOM 788 CA LYS A 71 -6.215 -17.068 -0.609 1.00 0.98 C ATOM 789 C LYS A 71 -6.852 -15.885 0.112 1.00 0.99 C ATOM 790 O LYS A 71 -7.745 -16.058 0.943 1.00 1.26 O ATOM 791 CB LYS A 71 -5.323 -17.837 0.365 1.00 1.11 C ATOM 792 CG LYS A 71 -4.599 -19.018 -0.263 1.00 1.69 C ATOM 793 CD LYS A 71 -3.869 -19.853 0.781 1.00 2.11 C ATOM 794 CE LYS A 71 -2.847 -19.035 1.559 1.00 2.60 C ATOM 795 NZ LYS A 71 -1.765 -18.505 0.688 1.00 3.16 N ATOM 0 H LYS A 71 -4.622 -16.061 -1.524 1.00 0.87 H new ATOM 0 HA LYS A 71 -7.005 -17.726 -0.972 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -4.586 -17.153 0.785 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.932 -18.196 1.194 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -5.317 -19.644 -0.793 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -3.885 -18.655 -1.003 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -4.594 -20.280 1.474 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -3.367 -20.687 0.291 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -3.351 -18.205 2.054 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -2.409 -19.655 2.342 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -1.085 -17.970 1.265 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -1.276 -19.296 0.222 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -2.176 -17.878 -0.033 1.00 3.16 H new ATOM 809 N SER A 72 -6.377 -14.691 -0.205 1.00 0.92 N ATOM 810 CA SER A 72 -6.861 -13.473 0.426 1.00 1.08 C ATOM 811 C SER A 72 -8.266 -13.126 -0.057 1.00 1.04 C ATOM 812 O SER A 72 -8.714 -13.607 -1.102 1.00 1.21 O ATOM 813 CB SER A 72 -5.903 -12.323 0.115 1.00 1.30 C ATOM 814 OG SER A 72 -5.733 -12.162 -1.284 1.00 2.02 O ATOM 0 H SER A 72 -5.649 -14.539 -0.903 1.00 0.92 H new ATOM 0 HA SER A 72 -6.904 -13.634 1.503 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.288 -11.399 0.546 1.00 1.30 H new ATOM 0 HB3 SER A 72 -4.937 -12.514 0.582 1.00 1.30 H new ATOM 0 HG SER A 72 -5.551 -11.220 -1.485 1.00 2.02 H new ATOM 820 N GLU A 73 -8.952 -12.277 0.701 1.00 1.13 N ATOM 821 CA GLU A 73 -10.299 -11.841 0.342 1.00 1.31 C ATOM 822 C GLU A 73 -10.239 -10.665 -0.632 1.00 1.26 C ATOM 823 O GLU A 73 -11.174 -9.865 -0.726 1.00 1.87 O ATOM 824 CB GLU A 73 -11.083 -11.436 1.594 1.00 1.67 C ATOM 825 CG GLU A 73 -11.256 -12.555 2.608 1.00 1.87 C ATOM 826 CD GLU A 73 -12.158 -13.670 2.118 1.00 2.12 C ATOM 827 OE1 GLU A 73 -11.660 -14.604 1.458 1.00 2.46 O ATOM 828 OE2 GLU A 73 -13.376 -13.624 2.404 1.00 2.64 O ATOM 0 H GLU A 73 -8.598 -11.876 1.569 1.00 1.13 H new ATOM 0 HA GLU A 73 -10.809 -12.675 -0.141 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -10.573 -10.601 2.074 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -12.067 -11.078 1.293 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -10.278 -12.969 2.853 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.667 -12.142 3.529 1.00 1.87 H new ATOM 835 N PHE A 74 -9.120 -10.562 -1.336 1.00 1.04 N ATOM 836 CA PHE A 74 -8.916 -9.530 -2.342 1.00 1.02 C ATOM 837 C PHE A 74 -8.277 -10.155 -3.573 1.00 1.08 C ATOM 838 O PHE A 74 -7.477 -9.527 -4.267 1.00 1.45 O ATOM 839 CB PHE A 74 -8.013 -8.413 -1.802 1.00 0.94 C ATOM 840 CG PHE A 74 -8.529 -7.745 -0.558 1.00 0.96 C ATOM 841 CD1 PHE A 74 -9.602 -6.871 -0.618 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.934 -7.988 0.672 1.00 1.18 C ATOM 843 CE1 PHE A 74 -10.076 -6.255 0.524 1.00 1.70 C ATOM 844 CE2 PHE A 74 -8.404 -7.374 1.816 1.00 1.25 C ATOM 845 CZ PHE A 74 -9.476 -6.507 1.742 1.00 1.19 C ATOM 0 H PHE A 74 -8.327 -11.193 -1.225 1.00 1.04 H new ATOM 0 HA PHE A 74 -9.881 -9.095 -2.602 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.027 -8.828 -1.595 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.885 -7.659 -2.578 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -10.073 -6.669 -1.568 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -7.094 -8.664 0.735 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -10.915 -5.577 0.464 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -7.934 -7.572 2.768 1.00 1.25 H new ATOM 0 HZ PHE A 74 -9.845 -6.026 2.636 1.00 1.19 H new ATOM 901 N HIS A 78 -7.122 -5.466 -7.520 1.00 0.88 N ATOM 902 CA HIS A 78 -5.977 -4.579 -7.410 1.00 0.85 C ATOM 903 C HIS A 78 -6.231 -3.506 -6.360 1.00 0.69 C ATOM 904 O HIS A 78 -7.348 -3.000 -6.259 1.00 0.68 O ATOM 905 CB HIS A 78 -5.668 -3.921 -8.758 1.00 1.02 C ATOM 906 CG HIS A 78 -5.451 -4.895 -9.877 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.989 -4.727 -11.131 1.00 1.50 N ATOM 908 CD2 HIS A 78 -4.744 -6.050 -9.925 1.00 1.41 C ATOM 909 CE1 HIS A 78 -5.626 -5.732 -11.903 1.00 1.96 C ATOM 910 NE2 HIS A 78 -4.869 -6.548 -11.197 1.00 1.85 N ATOM 0 HA HIS A 78 -5.117 -5.177 -7.106 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -6.490 -3.256 -9.023 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.778 -3.301 -8.652 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -4.187 -6.495 -9.114 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.902 -5.864 -12.939 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -4.445 -7.410 -11.541 1.00 1.85 H new ATOM 919 N LEU A 79 -5.205 -3.168 -5.588 1.00 0.60 N ATOM 920 CA LEU A 79 -5.343 -2.215 -4.487 1.00 0.46 C ATOM 921 C LEU A 79 -5.988 -0.913 -4.955 1.00 0.44 C ATOM 922 O LEU A 79 -6.989 -0.464 -4.395 1.00 0.42 O ATOM 923 CB LEU A 79 -3.973 -1.912 -3.872 1.00 0.44 C ATOM 924 CG LEU A 79 -3.999 -0.993 -2.647 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.703 -1.674 -1.484 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.589 -0.586 -2.252 1.00 0.41 C ATOM 0 H LEU A 79 -4.263 -3.541 -5.703 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.989 -2.670 -3.736 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.502 -2.854 -3.590 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.342 -1.456 -4.635 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.555 -0.092 -2.907 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.712 -1.006 -0.623 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.728 -1.913 -1.768 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -4.175 -2.592 -1.226 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.630 0.067 -1.380 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -2.007 -1.476 -2.013 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -2.118 -0.056 -3.080 1.00 0.41 H new ATOM 938 N ALA A 80 -5.421 -0.331 -6.002 1.00 0.50 N ATOM 939 CA ALA A 80 -5.870 0.961 -6.497 1.00 0.54 C ATOM 940 C ALA A 80 -7.316 0.916 -6.974 1.00 0.58 C ATOM 941 O ALA A 80 -8.069 1.857 -6.753 1.00 0.61 O ATOM 942 CB ALA A 80 -4.956 1.436 -7.608 1.00 0.63 C ATOM 0 H ALA A 80 -4.646 -0.736 -6.527 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.826 1.669 -5.669 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.299 2.404 -7.973 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -3.939 1.532 -7.227 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -4.971 0.714 -8.425 1.00 0.63 H new ATOM 948 N ASP A 81 -7.708 -0.183 -7.609 1.00 0.64 N ATOM 949 CA ASP A 81 -9.084 -0.334 -8.084 1.00 0.70 C ATOM 950 C ASP A 81 -10.038 -0.415 -6.898 1.00 0.60 C ATOM 951 O ASP A 81 -11.161 0.094 -6.944 1.00 0.67 O ATOM 952 CB ASP A 81 -9.227 -1.582 -8.955 1.00 0.78 C ATOM 953 CG ASP A 81 -10.590 -1.671 -9.616 1.00 1.52 C ATOM 954 OD1 ASP A 81 -11.524 -2.232 -9.006 1.00 2.30 O ATOM 955 OD2 ASP A 81 -10.732 -1.181 -10.756 1.00 2.06 O ATOM 0 H ASP A 81 -7.100 -0.978 -7.807 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.335 0.537 -8.690 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.453 -1.577 -9.723 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.064 -2.470 -8.344 1.00 0.78 H new ATOM 960 N ILE A 82 -9.574 -1.060 -5.836 1.00 0.50 N ATOM 961 CA ILE A 82 -10.308 -1.119 -4.581 1.00 0.45 C ATOM 962 C ILE A 82 -10.527 0.288 -4.031 1.00 0.48 C ATOM 963 O ILE A 82 -11.655 0.677 -3.722 1.00 0.61 O ATOM 964 CB ILE A 82 -9.550 -1.976 -3.542 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.599 -3.455 -3.937 1.00 0.51 C ATOM 966 CG2 ILE A 82 -10.116 -1.770 -2.144 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.742 -4.347 -3.064 1.00 0.61 C ATOM 0 H ILE A 82 -8.682 -1.555 -5.821 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.275 -1.582 -4.774 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.508 -1.655 -3.528 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.632 -3.800 -3.891 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.275 -3.556 -4.973 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.564 -2.385 -1.434 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -10.023 -0.721 -1.865 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -11.168 -2.057 -2.131 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.827 -5.379 -3.404 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.702 -4.028 -3.129 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -9.079 -4.276 -2.030 1.00 0.61 H new ATOM 974 N LEU A 83 -9.444 1.050 -3.939 1.00 0.44 N ATOM 975 CA LEU A 83 -9.500 2.418 -3.432 1.00 0.52 C ATOM 976 C LEU A 83 -10.306 3.321 -4.360 1.00 0.69 C ATOM 977 O LEU A 83 -10.952 4.263 -3.913 1.00 0.83 O ATOM 978 CB LEU A 83 -8.089 2.989 -3.252 1.00 0.47 C ATOM 979 CG LEU A 83 -7.403 2.675 -1.916 1.00 0.39 C ATOM 980 CD1 LEU A 83 -7.219 1.178 -1.723 1.00 0.32 C ATOM 981 CD2 LEU A 83 -6.063 3.387 -1.840 1.00 0.42 C ATOM 0 H LEU A 83 -8.510 0.742 -4.210 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.998 2.386 -2.463 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.460 2.612 -4.058 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -8.139 4.072 -3.367 1.00 0.47 H new ATOM 0 HG LEU A 83 -8.046 3.035 -1.113 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.730 0.992 -0.767 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -8.192 0.687 -1.735 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.602 0.780 -2.529 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -5.583 3.159 -0.888 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.426 3.051 -2.658 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -6.218 4.463 -1.919 1.00 0.42 H new ATOM 993 N ASN A 84 -10.268 3.024 -5.653 1.00 0.74 N ATOM 994 CA ASN A 84 -10.993 3.810 -6.648 1.00 0.94 C ATOM 995 C ASN A 84 -12.499 3.703 -6.432 1.00 0.97 C ATOM 996 O ASN A 84 -13.252 4.624 -6.744 1.00 1.15 O ATOM 997 CB ASN A 84 -10.633 3.341 -8.060 1.00 1.04 C ATOM 998 CG ASN A 84 -11.255 4.199 -9.149 1.00 1.27 C ATOM 999 OD1 ASN A 84 -11.407 5.490 -8.890 1.00 1.83 O flip ATOM 1000 ND2 ASN A 84 -11.592 3.703 -10.223 1.00 1.79 N flip ATOM 0 H ASN A 84 -9.741 2.241 -6.040 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.701 4.854 -6.534 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.549 3.349 -8.174 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.959 2.309 -8.188 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.460 2.705 -10.388 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -12.003 4.290 -10.949 1.00 1.79 H new ATOM 1007 N SER A 85 -12.929 2.580 -5.881 1.00 0.87 N ATOM 1008 CA SER A 85 -14.337 2.357 -5.611 1.00 0.93 C ATOM 1009 C SER A 85 -14.735 2.989 -4.281 1.00 0.91 C ATOM 1010 O SER A 85 -15.921 3.072 -3.957 1.00 1.01 O ATOM 1011 CB SER A 85 -14.640 0.858 -5.604 1.00 0.98 C ATOM 1012 OG SER A 85 -16.030 0.610 -5.473 1.00 1.50 O ATOM 0 H SER A 85 -12.320 1.807 -5.612 1.00 0.87 H new ATOM 0 HA SER A 85 -14.922 2.828 -6.401 1.00 0.93 H new ATOM 0 HB2 SER A 85 -14.274 0.407 -6.527 1.00 0.98 H new ATOM 0 HB3 SER A 85 -14.105 0.381 -4.783 1.00 0.98 H new ATOM 0 HG SER A 85 -16.462 1.383 -5.053 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.741 3.434 -3.522 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.980 4.019 -2.214 1.00 0.95 C ATOM 1020 C ALA A 86 -13.717 5.520 -2.235 1.00 1.14 C ATOM 1021 O ALA A 86 -13.028 6.028 -3.123 1.00 1.71 O ATOM 1022 CB ALA A 86 -13.109 3.343 -1.164 1.00 1.09 C ATOM 0 H ALA A 86 -12.759 3.399 -3.794 1.00 0.88 H new ATOM 0 HA ALA A 86 -15.027 3.860 -1.955 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -13.299 3.792 -0.189 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -13.345 2.279 -1.126 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -12.059 3.473 -1.424 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.473 7.463 -6.850 1.00 0.94 N ATOM 1163 CA ALA B 17 -7.350 6.625 -6.445 1.00 0.81 C ATOM 1164 C ALA B 17 -6.070 7.079 -7.129 1.00 0.69 C ATOM 1165 O ALA B 17 -5.438 6.325 -7.874 1.00 0.71 O ATOM 1166 CB ALA B 17 -7.629 5.158 -6.736 1.00 1.09 C ATOM 0 HA ALA B 17 -7.219 6.732 -5.368 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -6.775 4.556 -6.424 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -8.516 4.841 -6.188 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -7.796 5.024 -7.805 1.00 1.09 H new ATOM 1172 N SER B 18 -5.700 8.321 -6.879 1.00 0.64 N ATOM 1173 CA SER B 18 -4.499 8.889 -7.452 1.00 0.61 C ATOM 1174 C SER B 18 -3.278 8.261 -6.791 1.00 0.50 C ATOM 1175 O SER B 18 -3.278 7.983 -5.590 1.00 0.45 O ATOM 1176 CB SER B 18 -4.507 10.406 -7.252 1.00 0.67 C ATOM 1177 OG SER B 18 -3.385 11.026 -7.858 1.00 1.33 O ATOM 0 H SER B 18 -6.221 8.959 -6.277 1.00 0.64 H new ATOM 0 HA SER B 18 -4.461 8.681 -8.521 1.00 0.61 H new ATOM 0 HB2 SER B 18 -5.423 10.823 -7.672 1.00 0.67 H new ATOM 0 HB3 SER B 18 -4.514 10.631 -6.186 1.00 0.67 H new ATOM 0 HG SER B 18 -3.427 11.994 -7.710 1.00 1.33 H new ATOM 1183 N LYS B 19 -2.245 8.032 -7.598 1.00 0.50 N ATOM 1184 CA LYS B 19 -1.037 7.347 -7.150 1.00 0.43 C ATOM 1185 C LYS B 19 -0.398 8.046 -5.951 1.00 0.35 C ATOM 1186 O LYS B 19 0.216 7.397 -5.108 1.00 0.28 O ATOM 1187 CB LYS B 19 -0.034 7.231 -8.304 1.00 0.54 C ATOM 1188 CG LYS B 19 0.333 8.556 -8.952 1.00 0.85 C ATOM 1189 CD LYS B 19 1.269 8.347 -10.131 1.00 1.13 C ATOM 1190 CE LYS B 19 1.583 9.650 -10.843 1.00 1.74 C ATOM 1191 NZ LYS B 19 2.326 10.598 -9.974 1.00 2.10 N ATOM 0 H LYS B 19 -2.222 8.315 -8.578 1.00 0.50 H new ATOM 0 HA LYS B 19 -1.324 6.346 -6.827 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.875 6.758 -7.933 1.00 0.54 H new ATOM 0 HB3 LYS B 19 -0.449 6.571 -9.065 1.00 0.54 H new ATOM 0 HG2 LYS B 19 -0.572 9.063 -9.287 1.00 0.85 H new ATOM 0 HG3 LYS B 19 0.809 9.205 -8.217 1.00 0.85 H new ATOM 0 HD2 LYS B 19 2.196 7.892 -9.782 1.00 1.13 H new ATOM 0 HD3 LYS B 19 0.816 7.649 -10.835 1.00 1.13 H new ATOM 0 HE2 LYS B 19 2.171 9.441 -11.737 1.00 1.74 H new ATOM 0 HE3 LYS B 19 0.654 10.114 -11.174 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 2.637 11.415 -10.538 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 1.706 10.924 -9.205 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 3.157 10.120 -9.570 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.562 9.361 -5.870 1.00 0.41 N ATOM 1206 CA GLU B 20 -0.038 10.129 -4.747 1.00 0.42 C ATOM 1207 C GLU B 20 -0.786 9.781 -3.461 1.00 0.34 C ATOM 1208 O GLU B 20 -0.186 9.659 -2.395 1.00 0.30 O ATOM 1209 CB GLU B 20 -0.139 11.632 -5.040 1.00 0.57 C ATOM 1210 CG GLU B 20 -1.533 12.081 -5.453 1.00 0.64 C ATOM 1211 CD GLU B 20 -1.585 13.527 -5.891 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.772 13.920 -6.753 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -2.466 14.270 -5.407 1.00 1.58 O ATOM 0 H GLU B 20 -1.054 9.918 -6.569 1.00 0.41 H new ATOM 0 HA GLU B 20 1.012 9.871 -4.610 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.164 12.188 -4.153 1.00 0.57 H new ATOM 0 HB3 GLU B 20 0.565 11.887 -5.832 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.886 11.448 -6.267 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -2.217 11.936 -4.617 1.00 0.64 H new ATOM 1220 N GLU B 21 -2.094 9.592 -3.583 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.944 9.265 -2.446 1.00 0.39 C ATOM 1222 C GLU B 21 -2.647 7.863 -1.950 1.00 0.32 C ATOM 1223 O GLU B 21 -2.495 7.629 -0.751 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.412 9.344 -2.852 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.827 10.694 -3.406 1.00 0.62 C ATOM 1226 CD GLU B 21 -6.264 10.707 -3.880 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.587 9.944 -4.813 1.00 1.49 O ATOM 1228 OE2 GLU B 21 -7.067 11.504 -3.347 1.00 1.54 O ATOM 0 H GLU B 21 -2.594 9.661 -4.470 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.741 9.982 -1.650 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.613 8.578 -3.601 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -5.031 9.113 -1.985 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.694 11.455 -2.637 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -4.172 10.960 -4.235 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.568 6.936 -2.895 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.330 5.536 -2.587 1.00 0.29 C ATOM 1237 C ILE B 22 -1.001 5.366 -1.869 1.00 0.24 C ATOM 1238 O ILE B 22 -0.941 4.761 -0.802 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.334 4.677 -3.866 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.620 4.926 -4.657 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -2.203 3.200 -3.512 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.605 4.331 -6.046 1.00 0.44 C ATOM 0 H ILE B 22 -2.667 7.134 -3.891 1.00 0.30 H new ATOM 0 HA ILE B 22 -3.138 5.200 -1.937 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.482 4.959 -4.484 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.462 4.512 -4.103 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.786 6.000 -4.734 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -2.207 2.605 -4.425 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.268 3.036 -2.976 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -3.040 2.902 -2.881 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.549 4.548 -6.545 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.784 4.763 -6.618 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.471 3.251 -5.978 1.00 0.44 H new ATOM 1249 N ALA B 23 0.056 5.929 -2.447 1.00 0.20 N ATOM 1250 CA ALA B 23 1.384 5.852 -1.853 1.00 0.19 C ATOM 1251 C ALA B 23 1.394 6.463 -0.459 1.00 0.20 C ATOM 1252 O ALA B 23 2.016 5.927 0.458 1.00 0.20 O ATOM 1253 CB ALA B 23 2.401 6.550 -2.737 1.00 0.20 C ATOM 0 H ALA B 23 0.017 6.444 -3.327 1.00 0.20 H new ATOM 0 HA ALA B 23 1.654 4.800 -1.767 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.388 6.483 -2.279 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.422 6.071 -3.716 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.124 7.598 -2.852 1.00 0.20 H new ATOM 1259 N ALA B 24 0.687 7.578 -0.307 1.00 0.22 N ATOM 1260 CA ALA B 24 0.581 8.253 0.978 1.00 0.25 C ATOM 1261 C ALA B 24 -0.090 7.354 2.013 1.00 0.23 C ATOM 1262 O ALA B 24 0.356 7.268 3.154 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.185 9.556 0.824 1.00 0.31 C ATOM 0 H ALA B 24 0.177 8.034 -1.063 1.00 0.22 H new ATOM 0 HA ALA B 24 1.587 8.478 1.332 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.258 10.052 1.792 1.00 0.31 H new ATOM 0 HB2 ALA B 24 0.339 10.205 0.122 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.186 9.347 0.447 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.155 6.677 1.603 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.845 5.735 2.475 1.00 0.23 C ATOM 1271 C LEU B 25 -0.954 4.540 2.789 1.00 0.22 C ATOM 1272 O LEU B 25 -0.942 4.036 3.914 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.145 5.257 1.825 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.258 6.300 1.730 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.411 5.762 0.901 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.743 6.691 3.119 1.00 0.43 C ATOM 0 H LEU B 25 -1.560 6.763 0.671 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.083 6.249 3.406 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -2.918 4.901 0.820 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.519 4.403 2.389 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.859 7.189 1.241 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.198 6.514 0.841 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.058 5.525 -0.103 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.806 4.860 1.369 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.535 7.434 3.032 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.127 5.809 3.632 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.914 7.110 3.689 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.205 4.100 1.787 1.00 0.20 N ATOM 1289 CA ILE B 26 0.702 2.971 1.934 1.00 0.21 C ATOM 1290 C ILE B 26 1.809 3.278 2.944 1.00 0.20 C ATOM 1291 O ILE B 26 2.022 2.513 3.889 1.00 0.22 O ATOM 1292 CB ILE B 26 1.322 2.575 0.574 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.239 2.019 -0.357 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.436 1.557 0.766 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.725 1.734 -1.761 1.00 0.27 C ATOM 0 H ILE B 26 -0.209 4.513 0.854 1.00 0.20 H new ATOM 0 HA ILE B 26 0.117 2.131 2.308 1.00 0.21 H new ATOM 0 HB ILE B 26 1.753 3.466 0.117 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.159 1.100 0.073 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.585 2.731 -0.406 1.00 0.26 H new ATOM 0 HG21 ILE B 26 2.858 1.292 -0.203 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.215 1.985 1.397 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.034 0.663 1.243 1.00 0.24 H new ATOM 0 HD11 ILE B 26 -0.099 1.343 -2.359 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.096 2.655 -2.212 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.528 0.998 -1.726 1.00 0.27 H new ATOM 1302 N VAL B 27 2.499 4.402 2.760 1.00 0.18 N ATOM 1303 CA VAL B 27 3.570 4.783 3.675 1.00 0.20 C ATOM 1304 C VAL B 27 3.013 5.074 5.065 1.00 0.22 C ATOM 1305 O VAL B 27 3.663 4.797 6.072 1.00 0.23 O ATOM 1306 CB VAL B 27 4.382 6.005 3.174 1.00 0.21 C ATOM 1307 CG1 VAL B 27 5.058 5.696 1.851 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.511 7.244 3.046 1.00 0.21 C ATOM 0 H VAL B 27 2.338 5.057 1.995 1.00 0.18 H new ATOM 0 HA VAL B 27 4.251 3.933 3.721 1.00 0.20 H new ATOM 0 HB VAL B 27 5.149 6.213 3.920 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.622 6.567 1.518 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.736 4.852 1.977 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.303 5.447 1.106 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.116 8.079 2.692 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.707 7.052 2.335 1.00 0.21 H new ATOM 0 HG23 VAL B 27 3.085 7.491 4.018 1.00 0.21 H new ATOM 1312 N ASN B 28 1.799 5.609 5.113 1.00 0.25 N ATOM 1313 CA ASN B 28 1.141 5.894 6.382 1.00 0.32 C ATOM 1314 C ASN B 28 0.809 4.594 7.103 1.00 0.27 C ATOM 1315 O ASN B 28 0.929 4.503 8.321 1.00 0.28 O ATOM 1316 CB ASN B 28 -0.131 6.717 6.159 1.00 0.44 C ATOM 1317 CG ASN B 28 -0.772 7.168 7.458 1.00 0.67 C ATOM 1318 OD1 ASN B 28 -0.442 8.228 7.988 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.701 6.378 7.974 1.00 0.86 N ATOM 0 H ASN B 28 1.251 5.854 4.289 1.00 0.25 H new ATOM 0 HA ASN B 28 1.822 6.478 7.001 1.00 0.32 H new ATOM 0 HB2 ASN B 28 0.108 7.592 5.554 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -0.848 6.124 5.592 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.170 6.641 8.841 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -1.947 5.506 7.505 1.00 0.86 H new ATOM 1326 N TYR B 29 0.400 3.583 6.340 1.00 0.25 N ATOM 1327 CA TYR B 29 0.098 2.276 6.906 1.00 0.24 C ATOM 1328 C TYR B 29 1.348 1.656 7.513 1.00 0.18 C ATOM 1329 O TYR B 29 1.334 1.213 8.658 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.495 1.341 5.846 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.653 -0.085 6.326 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.462 -0.389 7.414 1.00 1.20 C ATOM 1333 CD2 TYR B 29 0.018 -1.128 5.697 1.00 1.23 C ATOM 1334 CE1 TYR B 29 -1.596 -1.688 7.863 1.00 1.22 C ATOM 1335 CE2 TYR B 29 -0.115 -2.430 6.138 1.00 1.25 C ATOM 1336 CZ TYR B 29 -0.921 -2.704 7.223 1.00 0.42 C ATOM 1337 OH TYR B 29 -1.053 -3.999 7.669 1.00 0.49 O ATOM 0 H TYR B 29 0.271 3.646 5.330 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.643 2.414 7.693 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.468 1.723 5.538 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.145 1.351 4.964 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.995 0.404 7.917 1.00 1.20 H new ATOM 0 HD2 TYR B 29 0.654 -0.916 4.850 1.00 1.23 H new ATOM 0 HE1 TYR B 29 -2.227 -1.906 8.712 1.00 1.22 H new ATOM 0 HE2 TYR B 29 0.409 -3.229 5.636 1.00 1.25 H new ATOM 0 HH TYR B 29 -0.513 -4.595 7.109 1.00 0.49 H new ATOM 1347 N PHE B 30 2.432 1.641 6.746 1.00 0.16 N ATOM 1348 CA PHE B 30 3.693 1.093 7.231 1.00 0.16 C ATOM 1349 C PHE B 30 4.188 1.882 8.440 1.00 0.18 C ATOM 1350 O PHE B 30 4.732 1.311 9.387 1.00 0.21 O ATOM 1351 CB PHE B 30 4.755 1.107 6.130 1.00 0.19 C ATOM 1352 CG PHE B 30 4.465 0.212 4.954 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.657 -0.908 5.084 1.00 1.17 C ATOM 1354 CD2 PHE B 30 5.023 0.488 3.717 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.411 -1.730 4.001 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.779 -0.330 2.632 1.00 1.22 C ATOM 1357 CZ PHE B 30 3.973 -1.440 2.774 1.00 0.25 C ATOM 0 H PHE B 30 2.464 2.000 5.792 1.00 0.16 H new ATOM 0 HA PHE B 30 3.517 0.059 7.529 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.870 2.129 5.770 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.711 0.813 6.564 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.215 -1.140 6.042 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.657 1.354 3.600 1.00 1.20 H new ATOM 0 HE1 PHE B 30 2.779 -2.599 4.114 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.219 -0.101 1.673 1.00 1.22 H new ATOM 0 HZ PHE B 30 3.782 -2.081 1.926 1.00 0.25 H new ATOM 1367 N SER B 31 3.984 3.194 8.408 1.00 0.21 N ATOM 1368 CA SER B 31 4.354 4.051 9.524 1.00 0.26 C ATOM 1369 C SER B 31 3.498 3.725 10.744 1.00 0.25 C ATOM 1370 O SER B 31 3.969 3.776 11.875 1.00 0.27 O ATOM 1371 CB SER B 31 4.194 5.525 9.137 1.00 0.35 C ATOM 1372 OG SER B 31 4.680 6.386 10.154 1.00 1.15 O ATOM 0 H SER B 31 3.564 3.686 7.620 1.00 0.21 H new ATOM 0 HA SER B 31 5.399 3.870 9.774 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.731 5.719 8.208 1.00 0.35 H new ATOM 0 HB3 SER B 31 3.142 5.741 8.948 1.00 0.35 H new ATOM 0 HG SER B 31 4.565 7.319 9.876 1.00 1.15 H new ATOM 1378 N SER B 32 2.243 3.371 10.504 1.00 0.27 N ATOM 1379 CA SER B 32 1.334 3.001 11.576 1.00 0.30 C ATOM 1380 C SER B 32 1.758 1.673 12.200 1.00 0.28 C ATOM 1381 O SER B 32 1.590 1.456 13.403 1.00 0.36 O ATOM 1382 CB SER B 32 -0.098 2.907 11.042 1.00 0.40 C ATOM 1383 OG SER B 32 -1.032 2.708 12.090 1.00 0.99 O ATOM 0 H SER B 32 1.831 3.333 9.572 1.00 0.27 H new ATOM 0 HA SER B 32 1.371 3.770 12.347 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.346 3.820 10.501 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.168 2.085 10.330 1.00 0.40 H new ATOM 0 HG SER B 32 -1.936 2.654 11.716 1.00 0.99 H new ATOM 1389 N ILE B 33 2.320 0.790 11.383 1.00 0.24 N ATOM 1390 CA ILE B 33 2.794 -0.501 11.867 1.00 0.27 C ATOM 1391 C ILE B 33 3.923 -0.312 12.875 1.00 0.26 C ATOM 1392 O ILE B 33 3.928 -0.931 13.940 1.00 0.32 O ATOM 1393 CB ILE B 33 3.297 -1.405 10.721 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.224 -1.576 9.646 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.708 -2.762 11.269 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.666 -2.447 8.489 1.00 0.34 C ATOM 0 H ILE B 33 2.458 0.944 10.384 1.00 0.24 H new ATOM 0 HA ILE B 33 1.942 -0.988 12.342 1.00 0.27 H new ATOM 0 HB ILE B 33 4.163 -0.926 10.264 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.333 -2.011 10.099 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.942 -0.594 9.265 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.061 -3.392 10.453 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.507 -2.633 11.999 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.851 -3.236 11.748 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.857 -2.526 7.763 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.539 -2.002 8.012 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.921 -3.441 8.858 1.00 0.34 H new ATOM 1403 N VAL B 34 4.870 0.555 12.540 1.00 0.25 N ATOM 1404 CA VAL B 34 6.001 0.817 13.423 1.00 0.31 C ATOM 1405 C VAL B 34 5.609 1.778 14.542 1.00 0.37 C ATOM 1406 O VAL B 34 6.246 1.805 15.595 1.00 0.47 O ATOM 1407 CB VAL B 34 7.221 1.375 12.654 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.704 0.373 11.619 1.00 0.35 C ATOM 1409 CG2 VAL B 34 6.898 2.703 11.992 1.00 0.33 C ATOM 0 H VAL B 34 4.879 1.086 11.669 1.00 0.25 H new ATOM 0 HA VAL B 34 6.288 -0.140 13.859 1.00 0.31 H new ATOM 0 HB VAL B 34 8.019 1.545 13.377 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.563 0.784 11.088 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.993 -0.553 12.116 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.903 0.168 10.909 1.00 0.35 H new ATOM 0 HG21 VAL B 34 7.777 3.068 11.460 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.077 2.568 11.287 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.608 3.428 12.753 1.00 0.33 H new ATOM 1413 N GLU B 35 4.551 2.551 14.315 1.00 0.35 N ATOM 1414 CA GLU B 35 4.038 3.475 15.319 1.00 0.46 C ATOM 1415 C GLU B 35 3.545 2.705 16.540 1.00 0.51 C ATOM 1416 O GLU B 35 3.908 3.012 17.675 1.00 0.62 O ATOM 1417 CB GLU B 35 2.900 4.314 14.730 1.00 0.51 C ATOM 1418 CG GLU B 35 2.448 5.457 15.623 1.00 0.70 C ATOM 1419 CD GLU B 35 3.533 6.487 15.840 1.00 1.49 C ATOM 1420 OE1 GLU B 35 3.741 7.337 14.947 1.00 2.19 O ATOM 1421 OE2 GLU B 35 4.182 6.459 16.905 1.00 2.22 O ATOM 0 H GLU B 35 4.030 2.555 13.438 1.00 0.35 H new ATOM 0 HA GLU B 35 4.844 4.142 15.627 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.221 4.721 13.771 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.048 3.664 14.531 1.00 0.51 H new ATOM 0 HG2 GLU B 35 1.578 5.939 15.178 1.00 0.70 H new ATOM 0 HG3 GLU B 35 2.133 5.058 16.587 1.00 0.70 H new ATOM 1428 N LYS B 36 2.726 1.687 16.295 1.00 0.47 N ATOM 1429 CA LYS B 36 2.223 0.839 17.369 1.00 0.55 C ATOM 1430 C LYS B 36 3.204 -0.297 17.656 1.00 0.51 C ATOM 1431 O LYS B 36 2.991 -1.117 18.550 1.00 0.61 O ATOM 1432 CB LYS B 36 0.849 0.266 17.006 1.00 0.67 C ATOM 1433 CG LYS B 36 0.869 -0.630 15.777 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.499 -1.231 15.489 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.493 -0.187 14.999 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.059 0.444 13.724 1.00 2.08 N ATOM 0 H LYS B 36 2.397 1.430 15.364 1.00 0.47 H new ATOM 0 HA LYS B 36 2.120 1.450 18.266 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.466 -0.302 17.854 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.155 1.089 16.834 1.00 0.67 H new ATOM 0 HG2 LYS B 36 1.201 -0.054 14.913 1.00 0.71 H new ATOM 0 HG3 LYS B 36 1.594 -1.431 15.924 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -0.399 -2.015 14.739 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -0.885 -1.702 16.393 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -2.468 -0.653 14.859 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -1.615 0.583 15.761 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.739 1.183 13.454 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -0.118 0.868 13.849 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -1.017 -0.278 12.976 1.00 2.08 H new ATOM 1450 N LYS B 37 4.278 -0.314 16.863 1.00 0.48 N ATOM 1451 CA LYS B 37 5.338 -1.318 16.947 1.00 0.55 C ATOM 1452 C LYS B 37 4.766 -2.731 16.890 1.00 0.59 C ATOM 1453 O LYS B 37 5.059 -3.572 17.738 1.00 0.76 O ATOM 1454 CB LYS B 37 6.174 -1.125 18.216 1.00 0.72 C ATOM 1455 CG LYS B 37 7.551 -1.766 18.129 1.00 1.19 C ATOM 1456 CD LYS B 37 8.341 -1.598 19.418 1.00 1.42 C ATOM 1457 CE LYS B 37 7.813 -2.498 20.525 1.00 1.99 C ATOM 1458 NZ LYS B 37 7.977 -3.939 20.194 1.00 2.60 N ATOM 0 H LYS B 37 4.437 0.381 16.133 1.00 0.48 H new ATOM 0 HA LYS B 37 5.990 -1.184 16.084 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.288 -0.058 18.409 1.00 0.72 H new ATOM 0 HB3 LYS B 37 5.637 -1.547 19.065 1.00 0.72 H new ATOM 0 HG2 LYS B 37 7.443 -2.827 17.906 1.00 1.19 H new ATOM 0 HG3 LYS B 37 8.106 -1.321 17.303 1.00 1.19 H new ATOM 0 HD2 LYS B 37 9.391 -1.826 19.233 1.00 1.42 H new ATOM 0 HD3 LYS B 37 8.293 -0.558 19.741 1.00 1.42 H new ATOM 0 HE2 LYS B 37 8.338 -2.277 21.454 1.00 1.99 H new ATOM 0 HE3 LYS B 37 6.758 -2.283 20.696 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 7.915 -4.504 21.065 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 7.226 -4.232 19.537 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 8.905 -4.089 19.749 1.00 2.60 H new ATOM 1472 N GLU B 38 3.960 -2.991 15.872 1.00 0.54 N ATOM 1473 CA GLU B 38 3.323 -4.289 15.715 1.00 0.69 C ATOM 1474 C GLU B 38 4.294 -5.220 15.010 1.00 0.69 C ATOM 1475 O GLU B 38 4.298 -6.431 15.223 1.00 1.03 O ATOM 1476 CB GLU B 38 2.016 -4.130 14.921 1.00 0.79 C ATOM 1477 CG GLU B 38 1.071 -5.325 14.981 1.00 1.35 C ATOM 1478 CD GLU B 38 1.395 -6.401 13.966 1.00 1.41 C ATOM 1479 OE1 GLU B 38 1.247 -6.144 12.753 1.00 2.11 O ATOM 1480 OE2 GLU B 38 1.772 -7.518 14.375 1.00 1.86 O ATOM 0 H GLU B 38 3.731 -2.318 15.140 1.00 0.54 H new ATOM 0 HA GLU B 38 3.070 -4.715 16.686 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.489 -3.251 15.292 1.00 0.79 H new ATOM 0 HB3 GLU B 38 2.265 -3.936 13.878 1.00 0.79 H new ATOM 0 HG2 GLU B 38 1.107 -5.757 15.981 1.00 1.35 H new ATOM 0 HG3 GLU B 38 0.050 -4.979 14.819 1.00 1.35 H new ATOM 1487 N ILE B 39 5.153 -4.618 14.208 1.00 0.42 N ATOM 1488 CA ILE B 39 6.134 -5.355 13.433 1.00 0.43 C ATOM 1489 C ILE B 39 7.437 -5.498 14.225 1.00 0.48 C ATOM 1490 O ILE B 39 7.716 -4.701 15.127 1.00 0.52 O ATOM 1491 CB ILE B 39 6.395 -4.642 12.088 1.00 0.38 C ATOM 1492 CG1 ILE B 39 7.102 -5.571 11.101 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.203 -3.364 12.297 1.00 0.36 C ATOM 1494 CD1 ILE B 39 7.140 -5.023 9.691 1.00 0.47 C ATOM 0 H ILE B 39 5.190 -3.607 14.076 1.00 0.42 H new ATOM 0 HA ILE B 39 5.743 -6.352 13.228 1.00 0.43 H new ATOM 0 HB ILE B 39 5.429 -4.370 11.663 1.00 0.38 H new ATOM 0 HG12 ILE B 39 8.122 -5.746 11.444 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.597 -6.537 11.095 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.374 -2.880 11.335 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.652 -2.688 12.951 1.00 0.36 H new ATOM 0 HG23 ILE B 39 8.161 -3.610 12.755 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.655 -5.729 9.040 1.00 0.47 H new ATOM 0 HD12 ILE B 39 6.122 -4.873 9.331 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.671 -4.071 9.685 1.00 0.47 H new ATOM 1501 N SER B 40 8.218 -6.519 13.900 1.00 0.55 N ATOM 1502 CA SER B 40 9.472 -6.772 14.592 1.00 0.62 C ATOM 1503 C SER B 40 10.549 -5.782 14.148 1.00 0.53 C ATOM 1504 O SER B 40 10.384 -5.096 13.137 1.00 0.48 O ATOM 1505 CB SER B 40 9.930 -8.212 14.342 1.00 0.77 C ATOM 1506 OG SER B 40 11.085 -8.528 15.104 1.00 1.82 O ATOM 0 H SER B 40 8.004 -7.187 13.159 1.00 0.55 H new ATOM 0 HA SER B 40 9.309 -6.636 15.661 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.125 -8.901 14.597 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.143 -8.349 13.282 1.00 0.77 H new ATOM 0 HG SER B 40 11.352 -9.454 14.925 1.00 1.82 H new ATOM 1512 N GLU B 41 11.642 -5.721 14.901 1.00 0.59 N ATOM 1513 CA GLU B 41 12.712 -4.753 14.659 1.00 0.60 C ATOM 1514 C GLU B 41 13.196 -4.790 13.210 1.00 0.49 C ATOM 1515 O GLU B 41 13.261 -3.753 12.543 1.00 0.46 O ATOM 1516 CB GLU B 41 13.883 -5.031 15.600 1.00 0.78 C ATOM 1517 CG GLU B 41 13.522 -4.920 17.072 1.00 1.08 C ATOM 1518 CD GLU B 41 13.104 -3.519 17.465 1.00 1.44 C ATOM 1519 OE1 GLU B 41 13.981 -2.719 17.851 1.00 2.19 O ATOM 1520 OE2 GLU B 41 11.896 -3.210 17.395 1.00 1.99 O ATOM 0 H GLU B 41 11.813 -6.338 15.695 1.00 0.59 H new ATOM 0 HA GLU B 41 12.309 -3.759 14.850 1.00 0.60 H new ATOM 0 HB2 GLU B 41 14.266 -6.032 15.403 1.00 0.78 H new ATOM 0 HB3 GLU B 41 14.690 -4.332 15.379 1.00 0.78 H new ATOM 0 HG2 GLU B 41 12.712 -5.613 17.297 1.00 1.08 H new ATOM 0 HG3 GLU B 41 14.377 -5.223 17.676 1.00 1.08 H new ATOM 1527 N ASP B 42 13.511 -5.988 12.726 1.00 0.52 N ATOM 1528 CA ASP B 42 14.004 -6.169 11.360 1.00 0.51 C ATOM 1529 C ASP B 42 13.024 -5.594 10.349 1.00 0.43 C ATOM 1530 O ASP B 42 13.414 -4.888 9.419 1.00 0.47 O ATOM 1531 CB ASP B 42 14.239 -7.650 11.056 1.00 0.61 C ATOM 1532 CG ASP B 42 15.335 -8.258 11.904 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.524 -8.074 11.569 1.00 2.20 O ATOM 1534 OD2 ASP B 42 15.008 -8.928 12.908 1.00 2.29 O ATOM 0 H ASP B 42 13.434 -6.853 13.261 1.00 0.52 H new ATOM 0 HA ASP B 42 14.951 -5.635 11.280 1.00 0.51 H new ATOM 0 HB2 ASP B 42 13.313 -8.201 11.219 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.496 -7.763 10.003 1.00 0.61 H new ATOM 1539 N GLY B 43 11.747 -5.886 10.550 1.00 0.39 N ATOM 1540 CA GLY B 43 10.727 -5.394 9.652 1.00 0.37 C ATOM 1541 C GLY B 43 10.554 -3.895 9.752 1.00 0.34 C ATOM 1542 O GLY B 43 10.299 -3.227 8.752 1.00 0.34 O ATOM 0 H GLY B 43 11.400 -6.456 11.321 1.00 0.39 H new ATOM 0 HA2 GLY B 43 10.988 -5.661 8.628 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.780 -5.883 9.878 1.00 0.37 H new ATOM 1546 N ALA B 44 10.710 -3.367 10.958 1.00 0.33 N ATOM 1547 CA ALA B 44 10.581 -1.937 11.194 1.00 0.33 C ATOM 1548 C ALA B 44 11.643 -1.158 10.423 1.00 0.32 C ATOM 1549 O ALA B 44 11.332 -0.180 9.740 1.00 0.31 O ATOM 1550 CB ALA B 44 10.666 -1.642 12.682 1.00 0.38 C ATOM 0 H ALA B 44 10.927 -3.912 11.792 1.00 0.33 H new ATOM 0 HA ALA B 44 9.605 -1.614 10.832 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.568 -0.569 12.846 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.863 -2.164 13.203 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.628 -1.982 13.066 1.00 0.38 H new ATOM 1556 N ASP B 45 12.894 -1.603 10.522 1.00 0.36 N ATOM 1557 CA ASP B 45 13.991 -0.979 9.777 1.00 0.38 C ATOM 1558 C ASP B 45 13.781 -1.150 8.282 1.00 0.36 C ATOM 1559 O ASP B 45 14.118 -0.271 7.487 1.00 0.37 O ATOM 1560 CB ASP B 45 15.344 -1.583 10.166 1.00 0.48 C ATOM 1561 CG ASP B 45 15.815 -1.157 11.539 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.217 0.016 11.702 1.00 1.84 O ATOM 1563 OD2 ASP B 45 15.791 -1.995 12.465 1.00 1.81 O ATOM 0 H ASP B 45 13.175 -2.390 11.107 1.00 0.36 H new ATOM 0 HA ASP B 45 13.995 0.081 10.029 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.271 -2.670 10.135 1.00 0.48 H new ATOM 0 HB3 ASP B 45 16.090 -1.292 9.427 1.00 0.48 H new ATOM 1568 N SER B 46 13.224 -2.291 7.906 1.00 0.37 N ATOM 1569 CA SER B 46 12.964 -2.596 6.511 1.00 0.40 C ATOM 1570 C SER B 46 11.905 -1.647 5.944 1.00 0.36 C ATOM 1571 O SER B 46 12.001 -1.204 4.800 1.00 0.38 O ATOM 1572 CB SER B 46 12.515 -4.054 6.379 1.00 0.50 C ATOM 1573 OG SER B 46 12.559 -4.492 5.033 1.00 0.98 O ATOM 0 H SER B 46 12.942 -3.025 8.555 1.00 0.37 H new ATOM 0 HA SER B 46 13.880 -2.457 5.937 1.00 0.40 H new ATOM 0 HB2 SER B 46 13.156 -4.690 6.990 1.00 0.50 H new ATOM 0 HB3 SER B 46 11.501 -4.159 6.764 1.00 0.50 H new ATOM 0 HG SER B 46 11.649 -4.675 4.719 1.00 0.98 H new ATOM 1579 N LEU B 47 10.907 -1.318 6.757 1.00 0.32 N ATOM 1580 CA LEU B 47 9.856 -0.396 6.340 1.00 0.30 C ATOM 1581 C LEU B 47 10.398 1.020 6.184 1.00 0.27 C ATOM 1582 O LEU B 47 9.861 1.812 5.415 1.00 0.28 O ATOM 1583 CB LEU B 47 8.697 -0.399 7.341 1.00 0.30 C ATOM 1584 CG LEU B 47 7.839 -1.666 7.344 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.739 -1.564 8.389 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.241 -1.906 5.966 1.00 0.41 C ATOM 0 H LEU B 47 10.803 -1.675 7.707 1.00 0.32 H new ATOM 0 HA LEU B 47 9.487 -0.737 5.373 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.103 -0.252 8.342 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.054 0.455 7.130 1.00 0.30 H new ATOM 0 HG LEU B 47 8.477 -2.513 7.597 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.139 -2.474 8.376 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.185 -1.437 9.375 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.103 -0.707 8.165 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.634 -2.811 5.985 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.618 -1.057 5.687 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.043 -2.023 5.237 1.00 0.41 H new ATOM 1598 N ASN B 48 11.465 1.328 6.908 1.00 0.26 N ATOM 1599 CA ASN B 48 12.068 2.655 6.847 1.00 0.26 C ATOM 1600 C ASN B 48 12.674 2.912 5.471 1.00 0.27 C ATOM 1601 O ASN B 48 12.325 3.891 4.808 1.00 0.32 O ATOM 1602 CB ASN B 48 13.139 2.818 7.930 1.00 0.28 C ATOM 1603 CG ASN B 48 12.573 2.793 9.339 1.00 0.33 C ATOM 1604 OD1 ASN B 48 13.225 2.324 10.270 1.00 0.48 O ATOM 1605 ND2 ASN B 48 11.361 3.308 9.513 1.00 0.40 N ATOM 0 H ASN B 48 11.931 0.680 7.543 1.00 0.26 H new ATOM 0 HA ASN B 48 11.280 3.387 7.024 1.00 0.26 H new ATOM 0 HB2 ASN B 48 13.875 2.021 7.827 1.00 0.28 H new ATOM 0 HB3 ASN B 48 13.665 3.760 7.773 1.00 0.28 H new ATOM 0 HD21 ASN B 48 10.942 3.323 10.443 1.00 0.40 H new ATOM 0 HD22 ASN B 48 10.849 3.688 8.717 1.00 0.40 H new ATOM 1612 N VAL B 49 13.566 2.024 5.036 1.00 0.27 N ATOM 1613 CA VAL B 49 14.188 2.162 3.720 1.00 0.29 C ATOM 1614 C VAL B 49 13.136 2.036 2.624 1.00 0.29 C ATOM 1615 O VAL B 49 13.175 2.759 1.629 1.00 0.32 O ATOM 1616 CB VAL B 49 15.328 1.133 3.489 1.00 0.32 C ATOM 1617 CG1 VAL B 49 14.837 -0.295 3.655 1.00 0.34 C ATOM 1618 CG2 VAL B 49 15.954 1.319 2.110 1.00 0.36 C ATOM 0 H VAL B 49 13.872 1.210 5.569 1.00 0.27 H new ATOM 0 HA VAL B 49 14.639 3.154 3.682 1.00 0.29 H new ATOM 0 HB VAL B 49 16.089 1.316 4.248 1.00 0.32 H new ATOM 0 HG11 VAL B 49 15.663 -0.986 3.486 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.451 -0.432 4.665 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.044 -0.493 2.934 1.00 0.34 H new ATOM 0 HG21 VAL B 49 16.750 0.588 1.970 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.193 1.178 1.343 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.367 2.325 2.031 1.00 0.36 H new ATOM 1622 N ALA B 50 12.177 1.138 2.830 1.00 0.30 N ATOM 1623 CA ALA B 50 11.082 0.964 1.890 1.00 0.34 C ATOM 1624 C ALA B 50 10.316 2.265 1.719 1.00 0.33 C ATOM 1625 O ALA B 50 10.039 2.687 0.605 1.00 0.37 O ATOM 1626 CB ALA B 50 10.141 -0.134 2.361 1.00 0.37 C ATOM 0 H ALA B 50 12.139 0.521 3.641 1.00 0.30 H new ATOM 0 HA ALA B 50 11.504 0.674 0.927 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.328 -0.249 1.644 1.00 0.37 H new ATOM 0 HB2 ALA B 50 10.689 -1.073 2.442 1.00 0.37 H new ATOM 0 HB3 ALA B 50 9.731 0.132 3.335 1.00 0.37 H new ATOM 1632 N MET B 51 10.014 2.908 2.840 1.00 0.34 N ATOM 1633 CA MET B 51 9.220 4.129 2.849 1.00 0.39 C ATOM 1634 C MET B 51 9.912 5.248 2.094 1.00 0.31 C ATOM 1635 O MET B 51 9.269 5.997 1.351 1.00 0.30 O ATOM 1636 CB MET B 51 8.959 4.561 4.281 1.00 0.52 C ATOM 1637 CG MET B 51 7.853 5.586 4.416 1.00 0.62 C ATOM 1638 SD MET B 51 7.058 5.492 6.023 1.00 0.65 S ATOM 1639 CE MET B 51 6.755 3.728 6.090 1.00 0.41 C ATOM 0 H MET B 51 10.312 2.599 3.765 1.00 0.34 H new ATOM 0 HA MET B 51 8.275 3.919 2.348 1.00 0.39 H new ATOM 0 HB2 MET B 51 8.703 3.683 4.875 1.00 0.52 H new ATOM 0 HB3 MET B 51 9.877 4.973 4.700 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.263 6.586 4.270 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.112 5.428 3.633 1.00 0.62 H new ATOM 0 HE1 MET B 51 5.892 3.531 6.726 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.558 3.354 5.085 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.630 3.224 6.499 1.00 0.41 H new ATOM 1649 N ASP B 52 11.216 5.367 2.294 1.00 0.31 N ATOM 1650 CA ASP B 52 12.007 6.339 1.555 1.00 0.32 C ATOM 1651 C ASP B 52 11.911 6.053 0.067 1.00 0.28 C ATOM 1652 O ASP B 52 11.700 6.955 -0.738 1.00 0.30 O ATOM 1653 CB ASP B 52 13.470 6.300 1.999 1.00 0.42 C ATOM 1654 CG ASP B 52 14.350 7.203 1.155 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.344 8.430 1.381 1.00 1.84 O ATOM 1656 OD2 ASP B 52 15.047 6.689 0.258 1.00 1.99 O ATOM 0 H ASP B 52 11.747 4.805 2.959 1.00 0.31 H new ATOM 0 HA ASP B 52 11.612 7.334 1.760 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.539 6.602 3.044 1.00 0.42 H new ATOM 0 HB3 ASP B 52 13.839 5.276 1.938 1.00 0.42 H new ATOM 1661 N CYS B 53 12.024 4.781 -0.279 1.00 0.27 N ATOM 1662 CA CYS B 53 11.964 4.350 -1.665 1.00 0.27 C ATOM 1663 C CYS B 53 10.573 4.577 -2.264 1.00 0.28 C ATOM 1664 O CYS B 53 10.456 4.961 -3.426 1.00 0.36 O ATOM 1665 CB CYS B 53 12.361 2.881 -1.766 1.00 0.36 C ATOM 1666 SG CYS B 53 14.024 2.536 -1.147 1.00 1.05 S ATOM 0 H CYS B 53 12.159 4.022 0.389 1.00 0.27 H new ATOM 0 HA CYS B 53 12.668 4.951 -2.241 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.643 2.280 -1.208 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.298 2.567 -2.808 1.00 0.36 H new ATOM 0 HG CYS B 53 14.017 2.560 0.153 1.00 1.05 H new ATOM 1672 N ILE B 54 9.525 4.339 -1.476 1.00 0.26 N ATOM 1673 CA ILE B 54 8.156 4.602 -1.924 1.00 0.29 C ATOM 1674 C ILE B 54 8.004 6.080 -2.267 1.00 0.30 C ATOM 1675 O ILE B 54 7.560 6.442 -3.356 1.00 0.33 O ATOM 1676 CB ILE B 54 7.102 4.236 -0.849 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.265 2.784 -0.386 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.695 4.455 -1.397 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.417 2.422 0.822 1.00 0.33 C ATOM 0 H ILE B 54 9.596 3.967 -0.529 1.00 0.26 H new ATOM 0 HA ILE B 54 7.981 3.977 -2.799 1.00 0.29 H new ATOM 0 HB ILE B 54 7.257 4.887 0.012 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.007 2.119 -1.211 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.313 2.605 -0.148 1.00 0.31 H new ATOM 0 HG21 ILE B 54 4.962 4.195 -0.633 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.572 5.501 -1.676 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.544 3.826 -2.274 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.589 1.379 1.088 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.690 3.060 1.663 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.363 2.567 0.584 1.00 0.33 H new ATOM 1686 N SER B 55 8.412 6.925 -1.331 1.00 0.30 N ATOM 1687 CA SER B 55 8.308 8.368 -1.490 1.00 0.36 C ATOM 1688 C SER B 55 9.172 8.850 -2.652 1.00 0.38 C ATOM 1689 O SER B 55 8.737 9.661 -3.473 1.00 0.41 O ATOM 1690 CB SER B 55 8.733 9.050 -0.191 1.00 0.40 C ATOM 1691 OG SER B 55 8.059 8.478 0.918 1.00 0.80 O ATOM 0 H SER B 55 8.822 6.632 -0.444 1.00 0.30 H new ATOM 0 HA SER B 55 7.273 8.627 -1.714 1.00 0.36 H new ATOM 0 HB2 SER B 55 9.810 8.952 -0.058 1.00 0.40 H new ATOM 0 HB3 SER B 55 8.514 10.116 -0.246 1.00 0.40 H new ATOM 0 HG SER B 55 8.523 7.661 1.197 1.00 0.80 H new ATOM 1697 N GLU B 56 10.388 8.319 -2.725 1.00 0.39 N ATOM 1698 CA GLU B 56 11.337 8.671 -3.776 1.00 0.48 C ATOM 1699 C GLU B 56 10.791 8.275 -5.147 1.00 0.42 C ATOM 1700 O GLU B 56 11.004 8.969 -6.142 1.00 0.45 O ATOM 1701 CB GLU B 56 12.665 7.953 -3.519 1.00 0.59 C ATOM 1702 CG GLU B 56 13.828 8.477 -4.341 1.00 0.82 C ATOM 1703 CD GLU B 56 14.224 9.884 -3.952 1.00 1.81 C ATOM 1704 OE1 GLU B 56 14.676 10.082 -2.804 1.00 2.38 O ATOM 1705 OE2 GLU B 56 14.083 10.802 -4.787 1.00 2.66 O ATOM 0 H GLU B 56 10.743 7.634 -2.059 1.00 0.39 H new ATOM 0 HA GLU B 56 11.493 9.750 -3.766 1.00 0.48 H new ATOM 0 HB2 GLU B 56 12.914 8.042 -2.461 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.537 6.891 -3.728 1.00 0.59 H new ATOM 0 HG2 GLU B 56 14.684 7.814 -4.217 1.00 0.82 H new ATOM 0 HG3 GLU B 56 13.560 8.457 -5.397 1.00 0.82 H new ATOM 1712 N ALA B 57 10.071 7.160 -5.181 1.00 0.38 N ATOM 1713 CA ALA B 57 9.541 6.622 -6.425 1.00 0.39 C ATOM 1714 C ALA B 57 8.416 7.487 -6.981 1.00 0.33 C ATOM 1715 O ALA B 57 8.415 7.826 -8.162 1.00 0.38 O ATOM 1716 CB ALA B 57 9.055 5.197 -6.216 1.00 0.41 C ATOM 0 H ALA B 57 9.840 6.609 -4.354 1.00 0.38 H new ATOM 0 HA ALA B 57 10.349 6.622 -7.156 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.661 4.806 -7.154 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.886 4.574 -5.884 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.270 5.188 -5.460 1.00 0.41 H new ATOM 1722 N PHE B 58 7.467 7.841 -6.127 1.00 0.28 N ATOM 1723 CA PHE B 58 6.312 8.621 -6.559 1.00 0.27 C ATOM 1724 C PHE B 58 6.654 10.102 -6.676 1.00 0.30 C ATOM 1725 O PHE B 58 5.983 10.855 -7.388 1.00 0.38 O ATOM 1726 CB PHE B 58 5.141 8.428 -5.596 1.00 0.27 C ATOM 1727 CG PHE B 58 4.499 7.071 -5.678 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.150 5.946 -5.197 1.00 1.18 C ATOM 1729 CD2 PHE B 58 3.236 6.922 -6.228 1.00 1.24 C ATOM 1730 CE1 PHE B 58 4.557 4.702 -5.264 1.00 1.22 C ATOM 1731 CE2 PHE B 58 2.638 5.678 -6.296 1.00 1.21 C ATOM 1732 CZ PHE B 58 3.299 4.569 -5.813 1.00 0.29 C ATOM 0 H PHE B 58 7.472 7.603 -5.135 1.00 0.28 H new ATOM 0 HA PHE B 58 6.022 8.260 -7.546 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.491 8.592 -4.577 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.387 9.188 -5.800 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.134 6.044 -4.764 1.00 1.18 H new ATOM 0 HD2 PHE B 58 2.713 7.787 -6.608 1.00 1.24 H new ATOM 0 HE1 PHE B 58 5.077 3.834 -4.887 1.00 1.22 H new ATOM 0 HE2 PHE B 58 1.653 5.575 -6.727 1.00 1.21 H new ATOM 0 HZ PHE B 58 2.832 3.597 -5.865 1.00 0.29 H new ATOM 1742 N GLY B 59 7.694 10.518 -5.968 1.00 0.33 N ATOM 1743 CA GLY B 59 8.163 11.882 -6.073 1.00 0.38 C ATOM 1744 C GLY B 59 7.574 12.790 -5.014 1.00 0.37 C ATOM 1745 O GLY B 59 7.100 13.883 -5.322 1.00 0.42 O ATOM 0 H GLY B 59 8.222 9.932 -5.321 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.250 11.895 -5.992 1.00 0.38 H new ATOM 0 HA3 GLY B 59 7.913 12.272 -7.059 1.00 0.38 H new ATOM 1749 N PHE B 60 7.592 12.341 -3.769 1.00 0.35 N ATOM 1750 CA PHE B 60 7.136 13.163 -2.657 1.00 0.39 C ATOM 1751 C PHE B 60 7.997 12.900 -1.432 1.00 0.39 C ATOM 1752 O PHE B 60 8.770 11.943 -1.404 1.00 0.42 O ATOM 1753 CB PHE B 60 5.651 12.908 -2.342 1.00 0.40 C ATOM 1754 CG PHE B 60 5.336 11.535 -1.801 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.392 11.282 -0.438 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.961 10.508 -2.651 1.00 1.21 C ATOM 1757 CE1 PHE B 60 5.089 10.032 0.065 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.653 9.255 -2.153 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.718 9.016 -0.794 1.00 0.33 C ATOM 0 H PHE B 60 7.917 11.412 -3.502 1.00 0.35 H new ATOM 0 HA PHE B 60 7.235 14.210 -2.943 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.317 13.652 -1.619 1.00 0.40 H new ATOM 0 HB3 PHE B 60 5.071 13.065 -3.251 1.00 0.40 H new ATOM 0 HD1 PHE B 60 5.677 12.074 0.239 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.908 10.688 -3.715 1.00 1.21 H new ATOM 0 HE1 PHE B 60 5.142 9.849 1.128 1.00 1.23 H new ATOM 0 HE2 PHE B 60 4.362 8.463 -2.827 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.479 8.037 -0.404 1.00 0.33 H new ATOM 1769 N GLU B 61 7.874 13.756 -0.432 1.00 0.47 N ATOM 1770 CA GLU B 61 8.634 13.602 0.798 1.00 0.55 C ATOM 1771 C GLU B 61 7.752 13.030 1.898 1.00 0.50 C ATOM 1772 O GLU B 61 6.544 13.265 1.926 1.00 0.47 O ATOM 1773 CB GLU B 61 9.206 14.947 1.246 1.00 0.70 C ATOM 1774 CG GLU B 61 10.155 15.576 0.244 1.00 0.80 C ATOM 1775 CD GLU B 61 10.869 16.783 0.810 1.00 1.48 C ATOM 1776 OE1 GLU B 61 10.307 17.895 0.745 1.00 2.06 O ATOM 1777 OE2 GLU B 61 11.994 16.625 1.327 1.00 2.33 O ATOM 0 H GLU B 61 7.254 14.566 -0.447 1.00 0.47 H new ATOM 0 HA GLU B 61 9.457 12.913 0.606 1.00 0.55 H new ATOM 0 HB2 GLU B 61 8.383 15.636 1.434 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.730 14.811 2.192 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.891 14.836 -0.071 1.00 0.80 H new ATOM 0 HG3 GLU B 61 9.598 15.870 -0.646 1.00 0.80 H new ATOM 1784 N ARG B 62 8.375 12.293 2.808 1.00 0.53 N ATOM 1785 CA ARG B 62 7.670 11.644 3.910 1.00 0.53 C ATOM 1786 C ARG B 62 7.157 12.671 4.907 1.00 0.52 C ATOM 1787 O ARG B 62 6.257 12.392 5.692 1.00 0.64 O ATOM 1788 CB ARG B 62 8.602 10.660 4.612 1.00 0.62 C ATOM 1789 CG ARG B 62 9.099 9.552 3.704 1.00 1.40 C ATOM 1790 CD ARG B 62 10.198 8.743 4.364 1.00 1.46 C ATOM 1791 NE ARG B 62 9.757 8.131 5.614 1.00 2.25 N ATOM 1792 CZ ARG B 62 10.558 7.452 6.428 1.00 2.60 C ATOM 1793 NH1 ARG B 62 11.848 7.313 6.135 1.00 2.13 N ATOM 1794 NH2 ARG B 62 10.073 6.924 7.543 1.00 3.67 N ATOM 0 H ARG B 62 9.381 12.127 2.805 1.00 0.53 H new ATOM 0 HA ARG B 62 6.814 11.106 3.501 1.00 0.53 H new ATOM 0 HB2 ARG B 62 9.458 11.203 5.012 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.080 10.218 5.461 1.00 0.62 H new ATOM 0 HG2 ARG B 62 8.269 8.895 3.442 1.00 1.40 H new ATOM 0 HG3 ARG B 62 9.471 9.982 2.774 1.00 1.40 H new ATOM 0 HD2 ARG B 62 10.535 7.965 3.679 1.00 1.46 H new ATOM 0 HD3 ARG B 62 11.054 9.388 4.560 1.00 1.46 H new ATOM 0 HE ARG B 62 8.777 8.231 5.878 1.00 2.25 H new ATOM 0 HH11 ARG B 62 12.225 7.728 5.283 1.00 2.13 H new ATOM 0 HH12 ARG B 62 12.460 6.791 6.762 1.00 2.13 H new ATOM 0 HH21 ARG B 62 9.086 7.039 7.775 1.00 3.67 H new ATOM 0 HH22 ARG B 62 10.686 6.402 8.169 1.00 3.67 H new ATOM 1808 N GLU B 63 7.739 13.858 4.868 1.00 0.57 N ATOM 1809 CA GLU B 63 7.286 14.963 5.702 1.00 0.63 C ATOM 1810 C GLU B 63 6.073 15.642 5.075 1.00 0.62 C ATOM 1811 O GLU B 63 5.445 16.506 5.686 1.00 0.74 O ATOM 1812 CB GLU B 63 8.413 15.979 5.886 1.00 0.73 C ATOM 1813 CG GLU B 63 9.023 16.444 4.573 1.00 1.69 C ATOM 1814 CD GLU B 63 10.054 17.532 4.755 1.00 2.52 C ATOM 1815 OE1 GLU B 63 11.181 17.230 5.200 1.00 3.19 O ATOM 1816 OE2 GLU B 63 9.741 18.702 4.454 1.00 3.12 O ATOM 0 H GLU B 63 8.530 14.083 4.265 1.00 0.57 H new ATOM 0 HA GLU B 63 7.001 14.566 6.676 1.00 0.63 H new ATOM 0 HB2 GLU B 63 8.029 16.844 6.427 1.00 0.73 H new ATOM 0 HB3 GLU B 63 9.194 15.537 6.505 1.00 0.73 H new ATOM 0 HG2 GLU B 63 9.485 15.593 4.072 1.00 1.69 H new ATOM 0 HG3 GLU B 63 8.230 16.808 3.919 1.00 1.69 H new ATOM 1823 N ALA B 64 5.746 15.242 3.853 1.00 0.55 N ATOM 1824 CA ALA B 64 4.638 15.839 3.127 1.00 0.59 C ATOM 1825 C ALA B 64 3.474 14.865 3.002 1.00 0.53 C ATOM 1826 O ALA B 64 2.506 15.130 2.288 1.00 0.56 O ATOM 1827 CB ALA B 64 5.095 16.297 1.751 1.00 0.66 C ATOM 0 H ALA B 64 6.235 14.505 3.345 1.00 0.55 H new ATOM 0 HA ALA B 64 4.292 16.706 3.691 1.00 0.59 H new ATOM 0 HB1 ALA B 64 4.255 16.742 1.218 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.889 17.036 1.859 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.469 15.442 1.188 1.00 0.66 H new ATOM 1833 N VAL B 65 3.562 13.741 3.707 1.00 0.50 N ATOM 1834 CA VAL B 65 2.507 12.736 3.660 1.00 0.46 C ATOM 1835 C VAL B 65 1.216 13.291 4.263 1.00 0.52 C ATOM 1836 O VAL B 65 0.120 13.005 3.781 1.00 0.53 O ATOM 1837 CB VAL B 65 2.923 11.424 4.376 1.00 0.46 C ATOM 1838 CG1 VAL B 65 3.267 11.666 5.833 1.00 0.51 C ATOM 1839 CG2 VAL B 65 1.832 10.374 4.263 1.00 0.50 C ATOM 0 H VAL B 65 4.347 13.505 4.313 1.00 0.50 H new ATOM 0 HA VAL B 65 2.333 12.492 2.612 1.00 0.46 H new ATOM 0 HB VAL B 65 3.818 11.054 3.876 1.00 0.46 H new ATOM 0 HG11 VAL B 65 3.553 10.724 6.301 1.00 0.51 H new ATOM 0 HG12 VAL B 65 4.096 12.371 5.899 1.00 0.51 H new ATOM 0 HG13 VAL B 65 2.399 12.078 6.348 1.00 0.51 H new ATOM 0 HG21 VAL B 65 2.148 9.464 4.773 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.918 10.749 4.723 1.00 0.50 H new ATOM 0 HG23 VAL B 65 1.646 10.155 3.212 1.00 0.50 H new ATOM 1843 N SER B 66 1.355 14.121 5.292 1.00 0.62 N ATOM 1844 CA SER B 66 0.210 14.775 5.910 1.00 0.74 C ATOM 1845 C SER B 66 -0.396 15.802 4.956 1.00 0.75 C ATOM 1846 O SER B 66 -1.596 16.080 5.002 1.00 0.83 O ATOM 1847 CB SER B 66 0.637 15.442 7.218 1.00 0.88 C ATOM 1848 OG SER B 66 1.809 16.218 7.030 1.00 1.63 O ATOM 0 H SER B 66 2.253 14.356 5.715 1.00 0.62 H new ATOM 0 HA SER B 66 -0.550 14.025 6.130 1.00 0.74 H new ATOM 0 HB2 SER B 66 -0.169 16.076 7.588 1.00 0.88 H new ATOM 0 HB3 SER B 66 0.818 14.681 7.977 1.00 0.88 H new ATOM 0 HG SER B 66 2.064 16.637 7.879 1.00 1.63 H new ATOM 1854 N GLY B 67 0.445 16.355 4.087 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.022 17.290 3.084 1.00 0.74 C ATOM 1856 C GLY B 67 -0.841 16.598 2.018 1.00 0.69 C ATOM 1857 O GLY B 67 -1.889 17.097 1.600 1.00 0.74 O ATOM 0 H GLY B 67 1.448 16.169 4.062 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -0.623 18.065 3.560 1.00 0.74 H new ATOM 0 HA3 GLY B 67 0.832 17.787 2.623 1.00 0.74 H new ATOM 1861 N ILE B 68 -0.368 15.441 1.576 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.098 14.643 0.600 1.00 0.58 C ATOM 1863 C ILE B 68 -2.390 14.118 1.213 1.00 0.62 C ATOM 1864 O ILE B 68 -3.468 14.293 0.650 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.258 13.455 0.086 1.00 0.50 C ATOM 1866 CG1 ILE B 68 1.059 13.954 -0.516 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.047 12.657 -0.947 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.973 12.845 -0.986 1.00 0.45 C ATOM 0 H ILE B 68 0.517 15.034 1.877 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.324 15.292 -0.246 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.028 12.802 0.927 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.838 14.611 -1.357 1.00 0.49 H new ATOM 0 HG13 ILE B 68 1.583 14.554 0.228 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -0.442 11.822 -1.301 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -1.961 12.276 -0.492 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.302 13.302 -1.788 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.885 13.276 -1.400 1.00 0.45 H new ATOM 0 HD12 ILE B 68 2.226 12.200 -0.144 1.00 0.45 H new ATOM 0 HD13 ILE B 68 1.468 12.258 -1.753 1.00 0.45 H new ATOM 1875 N LEU B 69 -2.280 13.523 2.398 1.00 0.61 N ATOM 1876 CA LEU B 69 -3.435 12.949 3.083 1.00 0.66 C ATOM 1877 C LEU B 69 -4.333 14.028 3.675 1.00 0.84 C ATOM 1878 O LEU B 69 -5.292 13.726 4.378 1.00 1.13 O ATOM 1879 CB LEU B 69 -2.990 11.987 4.186 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.295 10.715 3.700 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -1.882 9.851 4.880 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.204 9.935 2.760 1.00 0.45 C ATOM 0 H LEU B 69 -1.400 13.426 2.905 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.008 12.399 2.337 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -2.314 12.517 4.857 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -3.864 11.703 4.772 1.00 0.61 H new ATOM 0 HG LEU B 69 -1.398 11.001 3.151 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -1.389 8.950 4.516 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -1.195 10.409 5.517 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -2.766 9.574 5.455 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -2.692 9.033 2.424 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.119 9.659 3.284 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.452 10.554 1.897 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.011 15.281 3.405 1.00 0.79 N ATOM 1895 CA GLY B 70 -4.862 16.369 3.834 1.00 0.93 C ATOM 1896 C GLY B 70 -5.738 16.866 2.706 1.00 0.98 C ATOM 1897 O GLY B 70 -6.764 17.504 2.938 1.00 1.24 O ATOM 0 H GLY B 70 -3.174 15.565 2.896 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -5.488 16.038 4.663 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -4.247 17.188 4.206 1.00 0.93 H new ATOM 1901 N LYS B 71 -5.337 16.558 1.478 1.00 0.86 N ATOM 1902 CA LYS B 71 -6.067 17.013 0.301 1.00 0.97 C ATOM 1903 C LYS B 71 -6.685 15.836 -0.443 1.00 0.98 C ATOM 1904 O LYS B 71 -7.551 16.014 -1.298 1.00 1.25 O ATOM 1905 CB LYS B 71 -5.134 17.779 -0.639 1.00 1.11 C ATOM 1906 CG LYS B 71 -4.425 18.954 0.017 1.00 1.68 C ATOM 1907 CD LYS B 71 -3.652 19.785 -1.000 1.00 2.11 C ATOM 1908 CE LYS B 71 -2.608 18.961 -1.741 1.00 2.60 C ATOM 1909 NZ LYS B 71 -1.564 18.425 -0.830 1.00 3.15 N ATOM 0 H LYS B 71 -4.511 15.996 1.272 1.00 0.86 H new ATOM 0 HA LYS B 71 -6.866 17.675 0.636 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -4.386 17.091 -1.033 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.711 18.144 -1.489 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -5.157 19.585 0.522 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -3.741 18.586 0.781 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -4.349 20.217 -1.719 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -3.163 20.616 -0.491 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -3.098 18.134 -2.255 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -2.137 19.578 -2.507 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -0.876 17.871 -1.379 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -1.077 19.213 -0.358 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -2.008 17.815 -0.114 1.00 3.15 H new ATOM 1923 N SER B 72 -6.230 14.637 -0.114 1.00 0.91 N ATOM 1924 CA SER B 72 -6.701 13.424 -0.764 1.00 1.08 C ATOM 1925 C SER B 72 -8.124 13.086 -0.332 1.00 1.03 C ATOM 1926 O SER B 72 -8.606 13.567 0.698 1.00 1.20 O ATOM 1927 CB SER B 72 -5.762 12.268 -0.421 1.00 1.29 C ATOM 1928 OG SER B 72 -5.645 12.102 0.983 1.00 2.02 O ATOM 0 H SER B 72 -5.527 14.478 0.608 1.00 0.91 H new ATOM 0 HA SER B 72 -6.707 13.587 -1.842 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.136 11.347 -0.869 1.00 1.29 H new ATOM 0 HB3 SER B 72 -4.778 12.455 -0.851 1.00 1.29 H new ATOM 0 HG SER B 72 -5.476 11.159 1.188 1.00 2.02 H new ATOM 1934 N GLU B 73 -8.790 12.244 -1.115 1.00 1.12 N ATOM 1935 CA GLU B 73 -10.152 11.816 -0.807 1.00 1.30 C ATOM 1936 C GLU B 73 -10.136 10.640 0.167 1.00 1.26 C ATOM 1937 O GLU B 73 -11.081 9.848 0.229 1.00 1.86 O ATOM 1938 CB GLU B 73 -10.891 11.418 -2.088 1.00 1.67 C ATOM 1939 CG GLU B 73 -11.019 12.543 -3.104 1.00 1.87 C ATOM 1940 CD GLU B 73 -11.924 13.666 -2.637 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -11.431 14.597 -1.966 1.00 2.46 O ATOM 1942 OE2 GLU B 73 -13.131 13.635 -2.956 1.00 2.64 O ATOM 0 H GLU B 73 -8.408 11.842 -1.971 1.00 1.12 H new ATOM 0 HA GLU B 73 -10.675 12.652 -0.342 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -10.368 10.581 -2.552 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -11.888 11.065 -1.825 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -10.029 12.947 -3.317 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.406 12.138 -4.039 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.043 10.527 0.908 1.00 1.03 N ATOM 1950 CA PHE B 74 -8.883 9.493 1.919 1.00 1.02 C ATOM 1951 C PHE B 74 -8.285 10.112 3.174 1.00 1.07 C ATOM 1952 O PHE B 74 -7.510 9.477 3.894 1.00 1.44 O ATOM 1953 CB PHE B 74 -7.969 8.370 1.412 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.445 7.709 0.148 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -9.526 6.843 0.168 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.805 7.950 -1.058 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -9.960 6.230 -0.991 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -8.236 7.340 -2.221 1.00 1.25 C ATOM 1959 CZ PHE B 74 -9.315 6.479 -2.187 1.00 1.19 C ATOM 0 H PHE B 74 -8.241 11.151 0.824 1.00 1.03 H new ATOM 0 HA PHE B 74 -9.860 9.064 2.142 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -6.972 8.777 1.242 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.876 7.613 2.191 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -10.035 6.645 1.100 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.960 8.622 -1.089 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -10.803 5.556 -0.962 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -7.730 7.536 -3.155 1.00 1.25 H new ATOM 0 HZ PHE B 74 -9.654 6.001 -3.094 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.307 5.408 7.149 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.164 4.513 7.081 1.00 0.85 C ATOM 2017 C HIS B 78 -6.384 3.446 6.021 1.00 0.69 C ATOM 2018 O HIS B 78 -7.502 2.948 5.875 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.913 3.847 8.439 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.730 4.817 9.566 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -6.315 4.651 10.801 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -5.020 5.967 9.641 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.975 5.654 11.585 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -5.190 6.468 10.906 1.00 1.85 N ATOM 0 HA HIS B 78 -5.290 5.106 6.813 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -6.751 3.190 8.671 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -5.026 3.218 8.366 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -4.430 6.408 8.851 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -6.287 5.787 12.610 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -4.777 7.329 11.264 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.335 3.101 5.287 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.441 2.150 4.180 1.00 0.46 C ATOM 2035 C LEU B 79 -6.113 0.852 4.621 1.00 0.44 C ATOM 2036 O LEU B 79 -7.094 0.410 4.021 1.00 0.42 O ATOM 2037 CB LEU B 79 -4.053 1.836 3.614 1.00 0.44 C ATOM 2038 CG LEU B 79 -4.041 0.920 2.388 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.698 1.607 1.201 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.622 0.503 2.044 1.00 0.41 C ATOM 0 H LEU B 79 -4.394 3.466 5.437 1.00 0.60 H new ATOM 0 HA LEU B 79 -6.056 2.613 3.408 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.565 2.774 3.351 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.454 1.374 4.399 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.613 0.023 2.626 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.680 0.940 0.339 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.731 1.852 1.448 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -4.155 2.522 0.964 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.636 -0.148 1.170 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -2.025 1.389 1.828 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -2.185 -0.032 2.887 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.591 0.263 5.688 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.066 -1.027 6.164 1.00 0.54 C ATOM 2054 C ALA B 80 -7.529 -0.972 6.588 1.00 0.58 C ATOM 2055 O ALA B 80 -8.279 -1.910 6.342 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.197 -1.510 7.307 1.00 0.63 C ATOM 0 H ALA B 80 -4.834 0.662 6.243 1.00 0.50 H new ATOM 0 HA ALA B 80 -5.996 -1.734 5.338 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.560 -2.476 7.657 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.168 -1.612 6.964 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.237 -0.790 8.124 1.00 0.63 H new ATOM 2062 N ASP B 81 -7.936 0.129 7.210 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.326 0.290 7.636 1.00 0.70 C ATOM 2064 C ASP B 81 -10.234 0.379 6.416 1.00 0.60 C ATOM 2065 O ASP B 81 -11.357 -0.128 6.417 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.488 1.537 8.505 1.00 0.78 C ATOM 2067 CG ASP B 81 -10.873 1.639 9.116 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -11.773 2.219 8.473 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -11.066 1.140 10.247 1.00 2.06 O ATOM 0 H ASP B 81 -7.330 0.919 7.430 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.608 -0.579 8.231 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -8.743 1.522 9.300 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.293 2.424 7.903 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.726 1.023 5.372 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.415 1.089 4.092 1.00 0.44 C ATOM 2076 C ILE B 82 -10.625 -0.316 3.532 1.00 0.48 C ATOM 2077 O ILE B 82 -11.744 -0.699 3.186 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.615 1.943 3.082 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.669 3.421 3.477 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -10.131 1.740 1.666 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.772 4.308 2.640 1.00 0.61 C ATOM 0 H ILE B 82 -8.830 1.511 5.390 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.386 1.559 4.252 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.575 1.617 3.105 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.697 3.774 3.390 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.386 3.518 4.525 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.551 2.352 0.976 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -10.033 0.690 1.390 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -11.180 2.032 1.616 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.863 5.340 2.978 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.737 3.982 2.745 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -9.069 4.241 1.593 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.544 -1.085 3.476 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.592 -2.451 2.965 1.00 0.52 C ATOM 2090 C LEU B 83 -10.439 -3.348 3.860 1.00 0.69 C ATOM 2091 O LEU B 83 -11.081 -4.280 3.387 1.00 0.83 O ATOM 2092 CB LEU B 83 -8.180 -3.034 2.837 1.00 0.47 C ATOM 2093 CG LEU B 83 -7.443 -2.724 1.528 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -7.242 -1.227 1.345 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -6.105 -3.444 1.499 1.00 0.43 C ATOM 0 H LEU B 83 -8.618 -0.784 3.780 1.00 0.44 H new ATOM 0 HA LEU B 83 -10.052 -2.413 1.978 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.578 -2.663 3.667 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -8.243 -4.116 2.948 1.00 0.47 H new ATOM 0 HG LEU B 83 -8.058 -3.080 0.702 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.717 -1.042 0.408 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -8.212 -0.730 1.322 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.653 -0.835 2.174 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -5.590 -3.217 0.566 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.495 -3.113 2.340 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -6.269 -4.519 1.571 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.446 -3.054 5.154 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.212 -3.835 6.121 1.00 0.94 C ATOM 2109 C ASN B 84 -12.708 -3.718 5.850 1.00 0.97 C ATOM 2110 O ASN B 84 -13.477 -4.637 6.127 1.00 1.14 O ATOM 2111 CB ASN B 84 -10.900 -3.373 7.546 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.567 -4.228 8.608 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -11.719 -5.516 8.338 1.00 1.83 O flip ATOM 2114 ND2 ASN B 84 -11.930 -3.737 9.674 1.00 1.79 N flip ATOM 0 H ASN B 84 -9.927 -2.276 5.561 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.923 -4.881 6.017 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -9.821 -3.390 7.699 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.223 -2.339 7.665 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.797 -2.741 9.848 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -12.364 -4.326 10.385 1.00 1.79 H new ATOM 2121 N SER B 85 -13.111 -2.591 5.289 1.00 0.87 N ATOM 2122 CA SER B 85 -14.507 -2.360 4.968 1.00 0.93 C ATOM 2123 C SER B 85 -14.857 -2.977 3.616 1.00 0.91 C ATOM 2124 O SER B 85 -16.025 -3.032 3.232 1.00 1.01 O ATOM 2125 CB SER B 85 -14.797 -0.859 4.952 1.00 0.97 C ATOM 2126 OG SER B 85 -16.177 -0.597 4.765 1.00 1.50 O ATOM 0 H SER B 85 -12.489 -1.820 5.046 1.00 0.87 H new ATOM 0 HA SER B 85 -15.122 -2.834 5.733 1.00 0.93 H new ATOM 0 HB2 SER B 85 -14.465 -0.414 5.890 1.00 0.97 H new ATOM 0 HB3 SER B 85 -14.225 -0.386 4.154 1.00 0.97 H new ATOM 0 HG SER B 85 -16.601 -1.368 4.332 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.841 -3.441 2.901 1.00 0.88 N ATOM 2133 CA ALA B 86 -14.036 -4.023 1.584 1.00 0.95 C ATOM 2134 C ALA B 86 -13.782 -5.525 1.611 1.00 1.14 C ATOM 2135 O ALA B 86 -13.129 -6.040 2.520 1.00 1.70 O ATOM 2136 CB ALA B 86 -13.124 -3.348 0.568 1.00 1.09 C ATOM 0 H ALA B 86 -12.870 -3.425 3.214 1.00 0.88 H new ATOM 0 HA ALA B 86 -15.072 -3.859 1.288 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -13.281 -3.794 -0.414 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -13.353 -2.283 0.524 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -12.084 -3.483 0.866 1.00 1.09 H new