USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.0345 (180deg=-0.139) USER MOD Single : A 3 LYS NZ :NH3+ -142:sc=-0.00914 (180deg=-0.365) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= -0.572 (180deg=-0.63) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc=-0.000694 F(o=-1.5!,f=-0.00069) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -0.799 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -0.835 (180deg=-2.33!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.0615 F(o=-0.59,f=-0.062) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 90:sc= -0.191 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc=-0.00413 (180deg=-0.194) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 SER OG : rot 65:sc= 1.09 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 76 THR OG1 : rot -53:sc= -1.49! USER MOD Single : A 78 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= -0.234 (180deg=-0.814) USER MOD Single : A 90 SER OG : rot 107:sc= 0.324 USER MOD Single : A 93 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.9!) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 0.296! (180deg=0.148) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.085 (180deg=-0.615) USER MOD Single : A 100 THR OG1 : rot -90:sc= -0.613 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.304! F(o=-1.1,f=-0.3!) USER MOD Single : B 1 PHE N :NH3+ -164:sc= 1.12 (180deg=0.426) USER MOD Single : B 5 TYR OH : rot 180:sc= -3.22 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.617 K(o=-0.62,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.243 -3.381 7.502 1.00 0.73 N ATOM 2 CA MET A 1 -6.559 -2.294 8.259 1.00 0.31 C ATOM 3 C MET A 1 -5.129 -2.132 7.733 1.00 0.24 C ATOM 4 O MET A 1 -4.865 -2.310 6.561 1.00 0.21 O ATOM 5 CB MET A 1 -6.532 -2.655 9.755 1.00 0.70 C ATOM 6 CG MET A 1 -6.455 -1.381 10.606 1.00 1.55 C ATOM 7 SD MET A 1 -5.827 -1.796 12.253 1.00 2.25 S ATOM 8 CE MET A 1 -6.863 -0.655 13.201 1.00 2.89 C ATOM 0 H1 MET A 1 -8.206 -3.077 7.252 1.00 0.73 H new ATOM 0 H2 MET A 1 -6.709 -3.589 6.634 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.292 -4.236 8.091 1.00 0.73 H new ATOM 0 HA MET A 1 -7.097 -1.355 8.127 1.00 0.31 H new ATOM 0 HB2 MET A 1 -7.426 -3.222 10.016 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.675 -3.295 9.967 1.00 0.70 H new ATOM 0 HG2 MET A 1 -5.802 -0.651 10.129 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.441 -0.923 10.685 1.00 1.55 H new ATOM 0 HE1 MET A 1 -6.633 -0.750 14.262 1.00 2.89 H new ATOM 0 HE2 MET A 1 -6.668 0.368 12.878 1.00 2.89 H new ATOM 0 HE3 MET A 1 -7.913 -0.894 13.035 1.00 2.89 H new ATOM 20 N VAL A 2 -4.202 -1.800 8.595 1.00 0.24 N ATOM 21 CA VAL A 2 -2.786 -1.627 8.154 1.00 0.19 C ATOM 22 C VAL A 2 -2.020 -2.935 8.384 1.00 0.22 C ATOM 23 O VAL A 2 -2.361 -3.719 9.249 1.00 0.28 O ATOM 24 CB VAL A 2 -2.138 -0.502 8.962 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.669 -0.355 8.559 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.874 0.812 8.681 1.00 0.30 C ATOM 0 H VAL A 2 -4.366 -1.641 9.589 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.759 -1.373 7.094 1.00 0.19 H new ATOM 0 HB VAL A 2 -2.199 -0.739 10.024 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.212 0.448 9.137 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.143 -1.289 8.755 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.605 -0.119 7.497 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.415 1.616 9.256 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.811 1.044 7.618 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.920 0.712 8.970 1.00 0.30 H new ATOM 36 N LYS A 3 -0.985 -3.179 7.621 1.00 0.18 N ATOM 37 CA LYS A 3 -0.198 -4.436 7.802 1.00 0.22 C ATOM 38 C LYS A 3 1.217 -4.189 7.261 1.00 0.16 C ATOM 39 O LYS A 3 1.393 -3.794 6.127 1.00 0.13 O ATOM 40 CB LYS A 3 -0.876 -5.584 7.023 1.00 0.26 C ATOM 41 CG LYS A 3 -0.493 -6.954 7.611 1.00 0.34 C ATOM 42 CD LYS A 3 1.020 -7.073 7.798 1.00 0.81 C ATOM 43 CE LYS A 3 1.388 -8.533 8.068 1.00 1.37 C ATOM 44 NZ LYS A 3 0.620 -9.025 9.247 1.00 1.97 N ATOM 0 H LYS A 3 -0.651 -2.562 6.881 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.151 -4.715 8.855 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.958 -5.460 7.056 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.582 -5.540 5.974 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.992 -7.094 8.570 1.00 0.34 H new ATOM 0 HG3 LYS A 3 -0.844 -7.747 6.950 1.00 0.34 H new ATOM 0 HD2 LYS A 3 1.536 -6.716 6.907 1.00 0.81 H new ATOM 0 HD3 LYS A 3 1.345 -6.446 8.628 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.165 -9.144 7.193 1.00 1.37 H new ATOM 0 HE3 LYS A 3 2.458 -8.622 8.254 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.223 -9.652 9.817 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 0.316 -8.216 9.826 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.216 -9.551 8.922 1.00 1.97 H new ATOM 58 N GLN A 4 2.224 -4.406 8.065 1.00 0.18 N ATOM 59 CA GLN A 4 3.622 -4.169 7.603 1.00 0.15 C ATOM 60 C GLN A 4 4.184 -5.428 6.928 1.00 0.13 C ATOM 61 O GLN A 4 4.030 -6.534 7.408 1.00 0.14 O ATOM 62 CB GLN A 4 4.493 -3.803 8.817 1.00 0.20 C ATOM 63 CG GLN A 4 5.984 -3.981 8.485 1.00 0.21 C ATOM 64 CD GLN A 4 6.835 -3.197 9.486 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.471 -3.068 10.639 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.960 -2.669 9.093 1.00 0.98 N ATOM 0 H GLN A 4 2.137 -4.738 9.025 1.00 0.18 H new ATOM 0 HA GLN A 4 3.628 -3.355 6.879 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.301 -2.771 9.112 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.226 -4.432 9.666 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.249 -5.038 8.517 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.185 -3.633 7.472 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.264 -2.778 8.126 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.536 -2.147 9.753 1.00 0.98 H new ATOM 75 N ILE A 5 4.869 -5.247 5.830 1.00 0.10 N ATOM 76 CA ILE A 5 5.498 -6.394 5.107 1.00 0.10 C ATOM 77 C ILE A 5 7.007 -6.306 5.313 1.00 0.10 C ATOM 78 O ILE A 5 7.643 -5.367 4.876 1.00 0.11 O ATOM 79 CB ILE A 5 5.200 -6.287 3.611 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.708 -5.977 3.369 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.603 -7.583 2.899 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.795 -7.012 4.049 1.00 0.19 C ATOM 0 H ILE A 5 5.022 -4.337 5.395 1.00 0.10 H new ATOM 0 HA ILE A 5 5.104 -7.337 5.486 1.00 0.10 H new ATOM 0 HB ILE A 5 5.786 -5.465 3.200 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.477 -4.982 3.749 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.508 -5.963 2.298 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.386 -7.496 1.834 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.670 -7.759 3.039 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.040 -8.418 3.317 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.752 -6.760 3.856 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.009 -8.004 3.650 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.976 -7.007 5.124 1.00 0.19 H new ATOM 94 N GLU A 6 7.586 -7.266 5.980 1.00 0.11 N ATOM 95 CA GLU A 6 9.061 -7.228 6.225 1.00 0.14 C ATOM 96 C GLU A 6 9.769 -8.198 5.272 1.00 0.14 C ATOM 97 O GLU A 6 10.967 -8.125 5.081 1.00 0.17 O ATOM 98 CB GLU A 6 9.332 -7.641 7.669 1.00 0.18 C ATOM 99 CG GLU A 6 8.387 -6.887 8.608 1.00 0.31 C ATOM 100 CD GLU A 6 8.726 -7.237 10.060 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.800 -7.772 10.285 1.00 1.96 O ATOM 102 OE2 GLU A 6 7.906 -6.965 10.922 1.00 1.97 O ATOM 0 H GLU A 6 7.104 -8.077 6.367 1.00 0.11 H new ATOM 0 HA GLU A 6 9.437 -6.220 6.051 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.191 -8.716 7.782 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.368 -7.426 7.931 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.481 -5.813 8.450 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.352 -7.152 8.390 1.00 0.31 H new ATOM 109 N SER A 7 9.045 -9.103 4.667 1.00 0.13 N ATOM 110 CA SER A 7 9.689 -10.069 3.726 1.00 0.15 C ATOM 111 C SER A 7 8.667 -10.555 2.697 1.00 0.14 C ATOM 112 O SER A 7 7.472 -10.433 2.881 1.00 0.12 O ATOM 113 CB SER A 7 10.229 -11.261 4.511 1.00 0.20 C ATOM 114 OG SER A 7 9.235 -11.717 5.421 1.00 0.23 O ATOM 0 H SER A 7 8.038 -9.216 4.783 1.00 0.13 H new ATOM 0 HA SER A 7 10.509 -9.571 3.208 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.508 -12.064 3.828 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.130 -10.975 5.053 1.00 0.20 H new ATOM 0 HG SER A 7 9.580 -12.484 5.925 1.00 0.23 H new ATOM 120 N LYS A 8 9.136 -11.105 1.610 1.00 0.15 N ATOM 121 CA LYS A 8 8.209 -11.604 0.555 1.00 0.14 C ATOM 122 C LYS A 8 7.184 -12.559 1.176 1.00 0.14 C ATOM 123 O LYS A 8 6.078 -12.697 0.693 1.00 0.13 O ATOM 124 CB LYS A 8 9.025 -12.339 -0.515 1.00 0.17 C ATOM 125 CG LYS A 8 8.192 -12.519 -1.787 1.00 0.21 C ATOM 126 CD LYS A 8 9.096 -13.010 -2.922 1.00 0.22 C ATOM 127 CE LYS A 8 8.256 -13.273 -4.173 1.00 1.06 C ATOM 128 NZ LYS A 8 7.715 -11.984 -4.690 1.00 1.90 N ATOM 0 H LYS A 8 10.128 -11.231 1.407 1.00 0.15 H new ATOM 0 HA LYS A 8 7.679 -10.766 0.102 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.931 -11.777 -0.742 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.340 -13.312 -0.138 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.389 -13.235 -1.611 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.722 -11.575 -2.064 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.863 -12.266 -3.137 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.612 -13.922 -2.620 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.864 -13.757 -4.937 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.438 -13.954 -3.938 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.230 -12.149 -5.595 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 7.041 -11.590 -4.003 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.496 -11.312 -4.833 1.00 1.90 H new ATOM 142 N THR A 9 7.541 -13.218 2.246 1.00 0.16 N ATOM 143 CA THR A 9 6.587 -14.161 2.896 1.00 0.18 C ATOM 144 C THR A 9 5.337 -13.404 3.353 1.00 0.16 C ATOM 145 O THR A 9 4.222 -13.823 3.116 1.00 0.17 O ATOM 146 CB THR A 9 7.256 -14.811 4.102 1.00 0.21 C ATOM 147 OG1 THR A 9 8.515 -15.343 3.718 1.00 0.24 O ATOM 148 CG2 THR A 9 6.369 -15.933 4.645 1.00 0.25 C ATOM 0 H THR A 9 8.453 -13.144 2.698 1.00 0.16 H new ATOM 0 HA THR A 9 6.299 -14.930 2.179 1.00 0.18 H new ATOM 0 HB THR A 9 7.401 -14.061 4.879 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.945 -15.759 4.494 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.852 -16.394 5.507 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.405 -15.522 4.946 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.217 -16.684 3.870 1.00 0.25 H new ATOM 156 N ALA A 10 5.519 -12.295 4.013 1.00 0.16 N ATOM 157 CA ALA A 10 4.351 -11.507 4.500 1.00 0.17 C ATOM 158 C ALA A 10 3.608 -10.877 3.316 1.00 0.15 C ATOM 159 O ALA A 10 2.426 -10.604 3.389 1.00 0.17 O ATOM 160 CB ALA A 10 4.840 -10.410 5.445 1.00 0.20 C ATOM 0 H ALA A 10 6.431 -11.898 4.238 1.00 0.16 H new ATOM 0 HA ALA A 10 3.668 -12.170 5.031 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.988 -9.832 5.803 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.354 -10.863 6.293 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.528 -9.752 4.914 1.00 0.20 H new ATOM 166 N PHE A 11 4.288 -10.637 2.226 1.00 0.12 N ATOM 167 CA PHE A 11 3.610 -10.017 1.050 1.00 0.11 C ATOM 168 C PHE A 11 2.449 -10.901 0.591 1.00 0.13 C ATOM 169 O PHE A 11 1.301 -10.521 0.678 1.00 0.16 O ATOM 170 CB PHE A 11 4.612 -9.853 -0.097 1.00 0.10 C ATOM 171 CG PHE A 11 3.897 -9.342 -1.326 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.403 -8.023 -1.354 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.728 -10.178 -2.450 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.735 -7.542 -2.497 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.061 -9.697 -3.594 1.00 0.18 C ATOM 176 CZ PHE A 11 2.568 -8.378 -3.619 1.00 0.21 C ATOM 0 H PHE A 11 5.279 -10.842 2.099 1.00 0.12 H new ATOM 0 HA PHE A 11 3.224 -9.039 1.338 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.401 -9.158 0.192 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.092 -10.808 -0.314 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.537 -7.379 -0.497 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.110 -11.188 -2.433 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.351 -6.533 -2.513 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.928 -10.340 -4.452 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.062 -8.007 -4.498 1.00 0.21 H new ATOM 186 N GLN A 12 2.738 -12.072 0.097 1.00 0.15 N ATOM 187 CA GLN A 12 1.646 -12.970 -0.376 1.00 0.19 C ATOM 188 C GLN A 12 0.643 -13.202 0.756 1.00 0.17 C ATOM 189 O GLN A 12 -0.554 -13.135 0.560 1.00 0.16 O ATOM 190 CB GLN A 12 2.240 -14.314 -0.805 1.00 0.24 C ATOM 191 CG GLN A 12 3.299 -14.086 -1.885 1.00 1.21 C ATOM 192 CD GLN A 12 3.969 -15.418 -2.232 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.680 -16.483 -1.534 1.00 2.35 O flip ATOM 194 NE2 GLN A 12 4.764 -15.491 -3.149 1.00 2.47 N flip ATOM 0 H GLN A 12 3.682 -12.447 -0.000 1.00 0.15 H new ATOM 0 HA GLN A 12 1.140 -12.505 -1.222 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.684 -14.817 0.054 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.453 -14.966 -1.185 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.840 -13.655 -2.775 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.044 -13.372 -1.534 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.991 -14.660 -3.695 1.00 2.47 H new ATOM 0 HE22 GLN A 12 5.204 -16.384 -3.372 1.00 2.47 H new ATOM 203 N GLU A 13 1.121 -13.478 1.937 1.00 0.19 N ATOM 204 CA GLU A 13 0.197 -13.719 3.077 1.00 0.20 C ATOM 205 C GLU A 13 -0.706 -12.497 3.277 1.00 0.18 C ATOM 206 O GLU A 13 -1.861 -12.624 3.629 1.00 0.19 O ATOM 207 CB GLU A 13 1.017 -13.978 4.342 1.00 0.25 C ATOM 208 CG GLU A 13 1.547 -15.415 4.331 1.00 0.30 C ATOM 209 CD GLU A 13 2.555 -15.604 5.466 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.908 -14.617 6.090 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.959 -16.734 5.691 1.00 2.10 O ATOM 0 H GLU A 13 2.114 -13.547 2.161 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.428 -14.587 2.867 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.848 -13.275 4.398 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.401 -13.815 5.226 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.722 -16.118 4.445 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.020 -15.631 3.373 1.00 0.30 H new ATOM 218 N ALA A 14 -0.196 -11.315 3.054 1.00 0.18 N ATOM 219 CA ALA A 14 -1.046 -10.104 3.233 1.00 0.18 C ATOM 220 C ALA A 14 -2.225 -10.170 2.254 1.00 0.18 C ATOM 221 O ALA A 14 -3.356 -9.907 2.608 1.00 0.19 O ATOM 222 CB ALA A 14 -0.213 -8.851 2.960 1.00 0.20 C ATOM 0 H ALA A 14 0.764 -11.137 2.758 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.424 -10.065 4.255 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.835 -7.965 3.091 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.625 -8.812 3.656 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.165 -8.881 1.938 1.00 0.20 H new ATOM 228 N LEU A 15 -1.965 -10.533 1.025 1.00 0.17 N ATOM 229 CA LEU A 15 -3.063 -10.632 0.015 1.00 0.18 C ATOM 230 C LEU A 15 -4.041 -11.735 0.433 1.00 0.18 C ATOM 231 O LEU A 15 -5.241 -11.547 0.432 1.00 0.18 O ATOM 232 CB LEU A 15 -2.468 -10.959 -1.361 1.00 0.19 C ATOM 233 CG LEU A 15 -1.191 -10.139 -1.587 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.671 -10.379 -3.007 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.493 -8.648 -1.400 1.00 0.62 C ATOM 0 H LEU A 15 -1.036 -10.766 0.675 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.594 -9.682 -0.042 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.243 -12.024 -1.426 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.195 -10.739 -2.143 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.435 -10.448 -0.865 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.236 -9.796 -3.166 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.449 -11.438 -3.139 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.429 -10.074 -3.728 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.583 -8.069 -1.561 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.252 -8.338 -2.118 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.858 -8.475 -0.388 1.00 0.62 H new ATOM 247 N ASP A 16 -3.537 -12.886 0.793 1.00 0.19 N ATOM 248 CA ASP A 16 -4.442 -13.993 1.213 1.00 0.21 C ATOM 249 C ASP A 16 -5.181 -13.587 2.489 1.00 0.20 C ATOM 250 O ASP A 16 -6.328 -13.934 2.691 1.00 0.20 O ATOM 251 CB ASP A 16 -3.615 -15.255 1.475 1.00 0.24 C ATOM 252 CG ASP A 16 -4.535 -16.380 1.955 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.362 -16.818 1.171 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.395 -16.786 3.097 1.00 1.09 O ATOM 0 H ASP A 16 -2.541 -13.106 0.814 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.166 -14.194 0.424 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -3.097 -15.558 0.565 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.850 -15.052 2.225 1.00 0.24 H new ATOM 259 N ALA A 17 -4.535 -12.848 3.351 1.00 0.22 N ATOM 260 CA ALA A 17 -5.199 -12.415 4.611 1.00 0.24 C ATOM 261 C ALA A 17 -6.099 -11.211 4.324 1.00 0.21 C ATOM 262 O ALA A 17 -6.998 -10.898 5.081 1.00 0.22 O ATOM 263 CB ALA A 17 -4.134 -12.021 5.637 1.00 0.30 C ATOM 0 H ALA A 17 -3.574 -12.526 3.235 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.801 -13.234 5.006 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.618 -11.704 6.560 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.490 -12.877 5.840 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.534 -11.201 5.242 1.00 0.30 H new ATOM 269 N ALA A 18 -5.864 -10.531 3.234 1.00 0.21 N ATOM 270 CA ALA A 18 -6.703 -9.345 2.897 1.00 0.22 C ATOM 271 C ALA A 18 -8.118 -9.803 2.536 1.00 0.21 C ATOM 272 O ALA A 18 -9.010 -8.999 2.346 1.00 0.24 O ATOM 273 CB ALA A 18 -6.085 -8.605 1.710 1.00 0.23 C ATOM 0 H ALA A 18 -5.127 -10.746 2.562 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.749 -8.677 3.757 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.698 -7.738 1.463 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.079 -8.276 1.970 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.037 -9.273 0.850 1.00 0.23 H new ATOM 279 N GLY A 19 -8.334 -11.087 2.440 1.00 0.22 N ATOM 280 CA GLY A 19 -9.693 -11.589 2.090 1.00 0.24 C ATOM 281 C GLY A 19 -9.999 -11.258 0.629 1.00 0.20 C ATOM 282 O GLY A 19 -9.399 -11.802 -0.279 1.00 0.28 O ATOM 0 H GLY A 19 -7.629 -11.809 2.589 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.746 -12.666 2.249 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.439 -11.134 2.741 1.00 0.24 H new ATOM 286 N ASP A 20 -10.929 -10.368 0.392 1.00 0.13 N ATOM 287 CA ASP A 20 -11.284 -9.991 -1.013 1.00 0.18 C ATOM 288 C ASP A 20 -11.473 -8.475 -1.098 1.00 0.15 C ATOM 289 O ASP A 20 -11.818 -7.942 -2.135 1.00 0.22 O ATOM 290 CB ASP A 20 -12.587 -10.691 -1.412 1.00 0.26 C ATOM 291 CG ASP A 20 -12.991 -10.258 -2.823 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.110 -9.883 -3.580 1.00 2.19 O ATOM 293 OD2 ASP A 20 -14.172 -10.310 -3.122 1.00 2.21 O ATOM 0 H ASP A 20 -11.461 -9.883 1.114 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.485 -10.297 -1.688 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.456 -11.773 -1.376 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.377 -10.442 -0.704 1.00 0.26 H new ATOM 298 N LYS A 21 -11.245 -7.773 -0.020 1.00 0.12 N ATOM 299 CA LYS A 21 -11.406 -6.295 -0.047 1.00 0.19 C ATOM 300 C LYS A 21 -10.286 -5.689 -0.893 1.00 0.15 C ATOM 301 O LYS A 21 -9.326 -6.351 -1.234 1.00 0.15 O ATOM 302 CB LYS A 21 -11.321 -5.750 1.382 1.00 0.27 C ATOM 303 CG LYS A 21 -12.657 -5.960 2.099 1.00 0.29 C ATOM 304 CD LYS A 21 -12.465 -5.761 3.604 1.00 0.30 C ATOM 305 CE LYS A 21 -13.826 -5.572 4.280 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.681 -5.763 5.752 1.00 1.90 N ATOM 0 H LYS A 21 -10.954 -8.162 0.877 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.373 -6.034 -0.476 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.523 -6.255 1.926 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.072 -4.689 1.362 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.399 -5.258 1.720 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.036 -6.962 1.899 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.953 -6.623 4.032 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.834 -4.892 3.788 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.214 -4.576 4.068 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.545 -6.286 3.879 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.605 -5.635 6.211 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.329 -6.722 5.945 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.008 -5.065 6.128 1.00 1.90 H new ATOM 320 N LEU A 22 -10.394 -4.435 -1.228 1.00 0.13 N ATOM 321 CA LEU A 22 -9.331 -3.802 -2.041 1.00 0.11 C ATOM 322 C LEU A 22 -8.019 -3.859 -1.247 1.00 0.10 C ATOM 323 O LEU A 22 -8.030 -4.045 -0.047 1.00 0.11 O ATOM 324 CB LEU A 22 -9.729 -2.336 -2.331 1.00 0.12 C ATOM 325 CG LEU A 22 -9.431 -1.938 -3.784 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.674 -0.434 -3.935 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.973 -2.245 -4.150 1.00 0.11 C ATOM 0 H LEU A 22 -11.171 -3.826 -0.973 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.201 -4.323 -2.989 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.792 -2.202 -2.128 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.189 -1.673 -1.655 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.082 -2.508 -4.447 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.467 -0.133 -4.962 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.712 -0.207 -3.693 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.016 0.111 -3.258 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.788 -1.954 -5.184 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.307 -1.687 -3.491 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.786 -3.313 -4.035 1.00 0.11 H new ATOM 339 N VAL A 23 -6.891 -3.698 -1.891 1.00 0.08 N ATOM 340 CA VAL A 23 -5.595 -3.748 -1.153 1.00 0.09 C ATOM 341 C VAL A 23 -4.612 -2.752 -1.770 1.00 0.08 C ATOM 342 O VAL A 23 -4.074 -2.978 -2.834 1.00 0.09 O ATOM 343 CB VAL A 23 -5.011 -5.155 -1.257 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.834 -5.291 -0.289 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.087 -6.184 -0.901 1.00 0.10 C ATOM 0 H VAL A 23 -6.813 -3.534 -2.895 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.765 -3.492 -0.107 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.666 -5.330 -2.276 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.417 -6.295 -0.363 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.067 -4.560 -0.544 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.179 -5.115 0.730 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.669 -7.188 -0.976 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.434 -6.010 0.118 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.925 -6.088 -1.591 1.00 0.10 H new ATOM 355 N VAL A 24 -4.363 -1.653 -1.097 1.00 0.08 N ATOM 356 CA VAL A 24 -3.400 -0.639 -1.626 1.00 0.08 C ATOM 357 C VAL A 24 -2.083 -0.773 -0.861 1.00 0.08 C ATOM 358 O VAL A 24 -2.067 -0.884 0.349 1.00 0.08 O ATOM 359 CB VAL A 24 -3.971 0.765 -1.443 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.166 1.759 -2.286 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.435 0.786 -1.880 1.00 0.09 C ATOM 0 H VAL A 24 -4.788 -1.416 -0.201 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.229 -0.807 -2.689 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.907 1.047 -0.392 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.574 2.761 -2.155 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.124 1.747 -1.966 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.226 1.477 -3.337 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.840 1.789 -1.748 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.505 0.501 -2.930 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.006 0.082 -1.274 1.00 0.09 H new ATOM 371 N VAL A 25 -0.980 -0.781 -1.564 1.00 0.09 N ATOM 372 CA VAL A 25 0.356 -0.927 -0.901 1.00 0.09 C ATOM 373 C VAL A 25 1.130 0.380 -1.020 1.00 0.10 C ATOM 374 O VAL A 25 1.127 1.014 -2.050 1.00 0.17 O ATOM 375 CB VAL A 25 1.147 -2.032 -1.605 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.310 -2.483 -0.719 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.223 -3.220 -1.884 1.00 0.09 C ATOM 0 H VAL A 25 -0.945 -0.692 -2.579 1.00 0.09 H new ATOM 0 HA VAL A 25 0.213 -1.177 0.150 1.00 0.09 H new ATOM 0 HB VAL A 25 1.543 -1.649 -2.546 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.869 -3.270 -1.225 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.969 -1.637 -0.525 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.921 -2.864 0.225 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.785 -4.008 -2.385 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.175 -3.600 -0.943 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.600 -2.899 -2.522 1.00 0.09 H new ATOM 387 N ASP A 26 1.803 0.777 0.024 1.00 0.08 N ATOM 388 CA ASP A 26 2.601 2.040 -0.014 1.00 0.08 C ATOM 389 C ASP A 26 4.090 1.691 0.024 1.00 0.08 C ATOM 390 O ASP A 26 4.634 1.366 1.060 1.00 0.09 O ATOM 391 CB ASP A 26 2.243 2.901 1.198 1.00 0.09 C ATOM 392 CG ASP A 26 3.173 4.117 1.255 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.306 4.783 0.242 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.731 4.362 2.312 1.00 0.93 O ATOM 0 H ASP A 26 1.836 0.277 0.912 1.00 0.08 H new ATOM 0 HA ASP A 26 2.379 2.593 -0.927 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.205 3.227 1.132 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.336 2.316 2.113 1.00 0.09 H new ATOM 399 N PHE A 27 4.756 1.759 -1.097 1.00 0.08 N ATOM 400 CA PHE A 27 6.210 1.440 -1.121 1.00 0.09 C ATOM 401 C PHE A 27 6.973 2.715 -0.779 1.00 0.11 C ATOM 402 O PHE A 27 7.463 3.407 -1.654 1.00 0.13 O ATOM 403 CB PHE A 27 6.611 0.985 -2.524 1.00 0.10 C ATOM 404 CG PHE A 27 6.226 -0.461 -2.739 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.892 -0.806 -3.030 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.211 -1.464 -2.667 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.545 -2.158 -3.243 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.866 -2.811 -2.883 1.00 0.21 C ATOM 409 CZ PHE A 27 5.533 -3.158 -3.172 1.00 0.23 C ATOM 0 H PHE A 27 4.355 2.022 -1.997 1.00 0.08 H new ATOM 0 HA PHE A 27 6.435 0.647 -0.408 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.123 1.613 -3.270 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.686 1.106 -2.659 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.135 -0.038 -3.090 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.234 -1.199 -2.445 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.521 -2.425 -3.460 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.624 -3.578 -2.827 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.268 -4.192 -3.339 1.00 0.23 H new ATOM 419 N SER A 28 7.062 3.037 0.488 1.00 0.11 N ATOM 420 CA SER A 28 7.781 4.277 0.918 1.00 0.12 C ATOM 421 C SER A 28 9.035 3.894 1.704 1.00 0.10 C ATOM 422 O SER A 28 9.066 2.892 2.392 1.00 0.11 O ATOM 423 CB SER A 28 6.865 5.108 1.813 1.00 0.17 C ATOM 424 OG SER A 28 5.744 5.548 1.059 1.00 1.03 O ATOM 0 H SER A 28 6.663 2.489 1.250 1.00 0.11 H new ATOM 0 HA SER A 28 8.063 4.856 0.038 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.534 4.514 2.665 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.408 5.965 2.213 1.00 0.17 H new ATOM 0 HG SER A 28 5.161 6.094 1.627 1.00 1.03 H new ATOM 430 N ALA A 29 10.065 4.691 1.620 1.00 0.10 N ATOM 431 CA ALA A 29 11.315 4.384 2.375 1.00 0.15 C ATOM 432 C ALA A 29 11.242 5.064 3.745 1.00 0.18 C ATOM 433 O ALA A 29 10.916 6.229 3.857 1.00 0.26 O ATOM 434 CB ALA A 29 12.526 4.896 1.574 1.00 0.19 C ATOM 0 H ALA A 29 10.096 5.543 1.060 1.00 0.10 H new ATOM 0 HA ALA A 29 11.423 3.309 2.519 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.443 4.675 2.120 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.554 4.403 0.602 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.439 5.973 1.432 1.00 0.19 H new ATOM 440 N THR A 30 11.532 4.336 4.789 1.00 0.18 N ATOM 441 CA THR A 30 11.465 4.923 6.158 1.00 0.23 C ATOM 442 C THR A 30 12.537 6.005 6.335 1.00 0.26 C ATOM 443 O THR A 30 12.379 6.918 7.121 1.00 0.31 O ATOM 444 CB THR A 30 11.687 3.817 7.193 1.00 0.26 C ATOM 445 OG1 THR A 30 11.733 4.390 8.492 1.00 0.32 O ATOM 446 CG2 THR A 30 13.006 3.098 6.905 1.00 0.28 C ATOM 0 H THR A 30 11.813 3.356 4.753 1.00 0.18 H new ATOM 0 HA THR A 30 10.484 5.376 6.298 1.00 0.23 H new ATOM 0 HB THR A 30 10.868 3.100 7.138 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.874 3.683 9.156 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.161 2.312 7.644 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.970 2.658 5.908 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.828 3.812 6.957 1.00 0.28 H new ATOM 454 N TRP A 31 13.630 5.909 5.627 1.00 0.26 N ATOM 455 CA TRP A 31 14.712 6.930 5.778 1.00 0.32 C ATOM 456 C TRP A 31 14.458 8.108 4.837 1.00 0.32 C ATOM 457 O TRP A 31 15.043 9.164 4.979 1.00 0.36 O ATOM 458 CB TRP A 31 16.057 6.296 5.424 1.00 0.34 C ATOM 459 CG TRP A 31 16.083 5.942 3.973 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.789 4.724 3.464 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.416 6.792 2.839 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.915 4.770 2.087 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.297 6.021 1.650 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.802 8.147 2.723 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.557 6.577 0.389 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.063 8.710 1.458 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.940 7.928 0.293 1.00 0.40 C ATOM 0 H TRP A 31 13.822 5.170 4.951 1.00 0.26 H new ATOM 0 HA TRP A 31 14.723 7.286 6.808 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.867 6.988 5.654 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.219 5.404 6.028 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.502 3.856 4.039 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.746 3.975 1.470 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.898 8.755 3.610 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.464 5.973 -0.502 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.359 9.746 1.381 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.140 8.365 -0.674 1.00 0.40 H new ATOM 478 N CYS A 32 13.602 7.935 3.870 1.00 0.28 N ATOM 479 CA CYS A 32 13.326 9.040 2.910 1.00 0.30 C ATOM 480 C CYS A 32 12.128 9.855 3.413 1.00 0.31 C ATOM 481 O CYS A 32 11.069 9.329 3.688 1.00 0.29 O ATOM 482 CB CYS A 32 13.037 8.422 1.535 1.00 0.28 C ATOM 483 SG CYS A 32 13.571 9.553 0.228 1.00 0.32 S ATOM 0 H CYS A 32 13.080 7.075 3.702 1.00 0.28 H new ATOM 0 HA CYS A 32 14.182 9.709 2.826 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.557 7.469 1.438 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.971 8.215 1.436 1.00 0.28 H new ATOM 488 N GLY A 33 12.305 11.139 3.544 1.00 0.34 N ATOM 489 CA GLY A 33 11.210 12.017 4.038 1.00 0.36 C ATOM 490 C GLY A 33 10.081 12.169 3.003 1.00 0.35 C ATOM 491 O GLY A 33 8.935 11.983 3.338 1.00 0.33 O ATOM 0 H GLY A 33 13.175 11.624 3.326 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.803 11.604 4.961 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.615 13.000 4.280 1.00 0.36 H new ATOM 495 N PRO A 34 10.421 12.539 1.789 1.00 0.37 N ATOM 496 CA PRO A 34 9.414 12.761 0.727 1.00 0.38 C ATOM 497 C PRO A 34 8.414 11.599 0.650 1.00 0.35 C ATOM 498 O PRO A 34 7.233 11.803 0.446 1.00 0.36 O ATOM 499 CB PRO A 34 10.246 12.896 -0.569 1.00 0.42 C ATOM 500 CG PRO A 34 11.721 13.122 -0.137 1.00 0.44 C ATOM 501 CD PRO A 34 11.821 12.759 1.356 1.00 0.40 C ATOM 0 HA PRO A 34 8.803 13.645 0.911 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.156 11.998 -1.181 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.888 13.730 -1.172 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.394 12.502 -0.729 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.015 14.159 -0.301 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.426 11.865 1.506 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.290 13.560 1.927 1.00 0.40 H new ATOM 509 N ALA A 35 8.862 10.391 0.804 1.00 0.33 N ATOM 510 CA ALA A 35 7.914 9.249 0.725 1.00 0.32 C ATOM 511 C ALA A 35 7.100 9.185 2.019 1.00 0.39 C ATOM 512 O ALA A 35 5.893 9.323 2.014 1.00 0.81 O ATOM 513 CB ALA A 35 8.697 7.950 0.540 1.00 0.36 C ATOM 0 H ALA A 35 9.836 10.143 0.980 1.00 0.33 H new ATOM 0 HA ALA A 35 7.241 9.384 -0.122 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.003 7.112 0.482 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.279 8.004 -0.380 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.369 7.807 1.386 1.00 0.36 H new ATOM 519 N LYS A 36 7.755 8.984 3.125 1.00 0.30 N ATOM 520 CA LYS A 36 7.033 8.918 4.429 1.00 0.28 C ATOM 521 C LYS A 36 6.273 10.229 4.670 1.00 0.24 C ATOM 522 O LYS A 36 5.364 10.289 5.472 1.00 0.25 O ATOM 523 CB LYS A 36 8.060 8.703 5.547 1.00 0.35 C ATOM 524 CG LYS A 36 7.401 8.867 6.923 1.00 0.38 C ATOM 525 CD LYS A 36 8.380 8.427 8.013 1.00 0.49 C ATOM 526 CE LYS A 36 7.791 8.732 9.392 1.00 1.22 C ATOM 527 NZ LYS A 36 8.858 8.605 10.426 1.00 1.92 N ATOM 0 H LYS A 36 8.766 8.861 3.185 1.00 0.30 H new ATOM 0 HA LYS A 36 6.318 8.095 4.416 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.495 7.707 5.462 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.876 9.418 5.441 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.111 9.906 7.078 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.490 8.271 6.975 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.584 7.360 7.922 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.331 8.945 7.891 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.373 9.739 9.407 1.00 1.22 H new ATOM 0 HE3 LYS A 36 6.974 8.045 9.611 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.459 8.812 11.364 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 9.237 7.636 10.417 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.624 9.278 10.219 1.00 1.92 H new ATOM 541 N MET A 37 6.645 11.278 3.996 1.00 0.23 N ATOM 542 CA MET A 37 5.955 12.583 4.205 1.00 0.24 C ATOM 543 C MET A 37 4.463 12.444 3.881 1.00 0.20 C ATOM 544 O MET A 37 3.654 13.248 4.300 1.00 0.20 O ATOM 545 CB MET A 37 6.583 13.649 3.294 1.00 0.29 C ATOM 546 CG MET A 37 5.751 14.942 3.320 1.00 1.31 C ATOM 547 SD MET A 37 5.445 15.445 5.038 1.00 2.12 S ATOM 548 CE MET A 37 6.009 17.161 4.904 1.00 3.13 C ATOM 0 H MET A 37 7.398 11.291 3.308 1.00 0.23 H new ATOM 0 HA MET A 37 6.067 12.883 5.247 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.602 13.859 3.620 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.646 13.271 2.273 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.278 15.734 2.788 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.804 14.786 2.803 1.00 1.31 H new ATOM 0 HE1 MET A 37 5.902 17.656 5.869 1.00 3.13 H new ATOM 0 HE2 MET A 37 7.056 17.177 4.602 1.00 3.13 H new ATOM 0 HE3 MET A 37 5.408 17.684 4.160 1.00 3.13 H new ATOM 558 N ILE A 38 4.097 11.441 3.124 1.00 0.18 N ATOM 559 CA ILE A 38 2.660 11.257 2.745 1.00 0.15 C ATOM 560 C ILE A 38 2.001 10.211 3.657 1.00 0.16 C ATOM 561 O ILE A 38 0.898 9.767 3.411 1.00 0.16 O ATOM 562 CB ILE A 38 2.583 10.778 1.291 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.642 11.508 0.459 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.195 11.077 0.710 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.516 11.106 -1.019 1.00 0.28 C ATOM 0 H ILE A 38 4.734 10.737 2.750 1.00 0.18 H new ATOM 0 HA ILE A 38 2.136 12.206 2.856 1.00 0.15 H new ATOM 0 HB ILE A 38 2.761 9.703 1.262 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.519 12.586 0.563 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.638 11.264 0.828 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.151 10.733 -0.323 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.436 10.560 1.297 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.010 12.151 0.743 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.272 11.629 -1.604 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.661 10.030 -1.117 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.525 11.373 -1.385 1.00 0.28 H new ATOM 577 N LYS A 39 2.643 9.826 4.724 1.00 0.19 N ATOM 578 CA LYS A 39 2.012 8.825 5.622 1.00 0.22 C ATOM 579 C LYS A 39 0.743 9.371 6.328 1.00 0.20 C ATOM 580 O LYS A 39 -0.140 8.596 6.618 1.00 0.21 O ATOM 581 CB LYS A 39 3.032 8.270 6.650 1.00 0.31 C ATOM 582 CG LYS A 39 3.243 9.202 7.866 1.00 0.34 C ATOM 583 CD LYS A 39 3.830 8.413 9.038 1.00 0.45 C ATOM 584 CE LYS A 39 2.819 7.384 9.579 1.00 1.16 C ATOM 585 NZ LYS A 39 3.128 6.045 9.000 1.00 1.62 N ATOM 0 H LYS A 39 3.565 10.157 5.009 1.00 0.19 H new ATOM 0 HA LYS A 39 1.685 8.000 4.988 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.690 7.297 7.002 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.989 8.111 6.153 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.912 10.019 7.596 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.294 9.651 8.159 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.737 7.901 8.717 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.116 9.099 9.835 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.869 7.344 10.667 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.803 7.681 9.318 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.281 5.666 8.531 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.896 6.136 8.305 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.423 5.398 9.759 1.00 1.62 H new ATOM 599 N PRO A 40 0.663 10.655 6.631 1.00 0.20 N ATOM 600 CA PRO A 40 -0.517 11.174 7.340 1.00 0.21 C ATOM 601 C PRO A 40 -1.761 11.004 6.466 1.00 0.17 C ATOM 602 O PRO A 40 -2.867 11.285 6.885 1.00 0.20 O ATOM 603 CB PRO A 40 -0.200 12.660 7.613 1.00 0.24 C ATOM 604 CG PRO A 40 1.233 12.937 7.082 1.00 0.25 C ATOM 605 CD PRO A 40 1.675 11.692 6.305 1.00 0.21 C ATOM 0 HA PRO A 40 -0.723 10.645 8.270 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.925 13.304 7.115 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.262 12.876 8.680 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.242 13.816 6.438 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.917 13.139 7.906 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.709 11.887 5.233 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.675 11.375 6.603 1.00 0.21 H new ATOM 613 N PHE A 41 -1.583 10.547 5.254 1.00 0.14 N ATOM 614 CA PHE A 41 -2.740 10.347 4.330 1.00 0.14 C ATOM 615 C PHE A 41 -2.945 8.853 4.105 1.00 0.11 C ATOM 616 O PHE A 41 -3.876 8.272 4.605 1.00 0.13 O ATOM 617 CB PHE A 41 -2.449 11.042 2.999 1.00 0.15 C ATOM 618 CG PHE A 41 -2.734 12.513 3.139 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.783 13.357 3.738 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.962 13.034 2.688 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.058 14.732 3.884 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.240 14.406 2.835 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.287 15.257 3.434 1.00 0.27 C ATOM 0 H PHE A 41 -0.675 10.301 4.860 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.644 10.773 4.765 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.409 10.886 2.713 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.065 10.613 2.208 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.844 12.953 4.086 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.690 12.381 2.230 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.327 15.383 4.341 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.182 14.807 2.490 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.499 16.310 3.548 1.00 0.27 H new ATOM 633 N PHE A 42 -2.076 8.231 3.361 1.00 0.10 N ATOM 634 CA PHE A 42 -2.218 6.771 3.089 1.00 0.11 C ATOM 635 C PHE A 42 -2.540 6.013 4.381 1.00 0.11 C ATOM 636 O PHE A 42 -3.536 5.323 4.477 1.00 0.12 O ATOM 637 CB PHE A 42 -0.904 6.250 2.502 1.00 0.13 C ATOM 638 CG PHE A 42 -0.954 4.747 2.380 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.692 4.157 1.340 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.255 3.937 3.300 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.736 2.756 1.223 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.302 2.534 3.180 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.042 1.942 2.139 1.00 0.10 C ATOM 0 H PHE A 42 -1.266 8.673 2.925 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.034 6.613 2.384 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.731 6.697 1.523 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.070 6.544 3.139 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.223 4.777 0.633 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.316 4.392 4.096 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.306 2.302 0.426 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.229 1.913 3.886 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.077 0.867 2.043 1.00 0.10 H new ATOM 653 N HIS A 43 -1.701 6.125 5.368 1.00 0.14 N ATOM 654 CA HIS A 43 -1.949 5.401 6.648 1.00 0.16 C ATOM 655 C HIS A 43 -3.195 5.971 7.344 1.00 0.16 C ATOM 656 O HIS A 43 -3.893 5.267 8.046 1.00 0.18 O ATOM 657 CB HIS A 43 -0.691 5.516 7.541 1.00 0.21 C ATOM 658 CG HIS A 43 -1.050 5.428 9.000 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.520 6.372 9.880 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -0.988 4.241 9.708 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -1.756 5.779 11.116 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.418 4.494 10.957 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.851 6.688 5.347 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.140 4.346 6.453 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.012 4.722 7.288 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.187 6.462 7.344 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.655 3.287 9.328 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.131 6.253 12.011 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.479 3.791 11.694 1.00 0.39 H new ATOM 670 N SER A 44 -3.482 7.231 7.166 1.00 0.20 N ATOM 671 CA SER A 44 -4.683 7.812 7.831 1.00 0.25 C ATOM 672 C SER A 44 -5.953 7.147 7.288 1.00 0.20 C ATOM 673 O SER A 44 -6.867 6.844 8.027 1.00 0.21 O ATOM 674 CB SER A 44 -4.742 9.317 7.568 1.00 0.34 C ATOM 675 OG SER A 44 -6.074 9.773 7.759 1.00 0.97 O ATOM 0 H SER A 44 -2.942 7.880 6.593 1.00 0.20 H new ATOM 0 HA SER A 44 -4.615 7.635 8.904 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.065 9.843 8.241 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.413 9.534 6.552 1.00 0.34 H new ATOM 0 HG SER A 44 -6.116 10.738 7.593 1.00 0.97 H new ATOM 681 N LEU A 45 -6.024 6.921 6.000 1.00 0.18 N ATOM 682 CA LEU A 45 -7.244 6.282 5.421 1.00 0.18 C ATOM 683 C LEU A 45 -7.570 5.005 6.199 1.00 0.16 C ATOM 684 O LEU A 45 -8.648 4.456 6.082 1.00 0.23 O ATOM 685 CB LEU A 45 -7.003 5.923 3.949 1.00 0.19 C ATOM 686 CG LEU A 45 -6.591 7.165 3.145 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.440 6.784 1.672 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.651 8.268 3.286 1.00 0.50 C ATOM 0 H LEU A 45 -5.293 7.151 5.327 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.076 6.983 5.491 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.224 5.164 3.878 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.909 5.492 3.522 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.642 7.540 3.529 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.148 7.663 1.097 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.675 6.014 1.572 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.389 6.404 1.295 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.345 9.142 2.711 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.608 7.903 2.911 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.753 8.542 4.336 1.00 0.50 H new ATOM 700 N SER A 46 -6.651 4.525 6.987 1.00 0.20 N ATOM 701 CA SER A 46 -6.913 3.284 7.767 1.00 0.25 C ATOM 702 C SER A 46 -8.154 3.475 8.643 1.00 0.17 C ATOM 703 O SER A 46 -8.904 2.551 8.884 1.00 0.15 O ATOM 704 CB SER A 46 -5.710 2.982 8.659 1.00 0.36 C ATOM 705 OG SER A 46 -4.557 2.802 7.846 1.00 0.51 O ATOM 0 H SER A 46 -5.729 4.938 7.125 1.00 0.20 H new ATOM 0 HA SER A 46 -7.079 2.456 7.078 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.550 3.799 9.362 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.896 2.085 9.250 1.00 0.36 H new ATOM 0 HG SER A 46 -4.112 3.665 7.713 1.00 0.51 H new ATOM 711 N GLU A 47 -8.372 4.668 9.135 1.00 0.21 N ATOM 712 CA GLU A 47 -9.557 4.920 10.011 1.00 0.21 C ATOM 713 C GLU A 47 -10.726 5.464 9.182 1.00 0.18 C ATOM 714 O GLU A 47 -11.866 5.423 9.606 1.00 0.18 O ATOM 715 CB GLU A 47 -9.182 5.943 11.088 1.00 0.32 C ATOM 716 CG GLU A 47 -7.816 5.590 11.682 1.00 0.39 C ATOM 717 CD GLU A 47 -7.844 4.159 12.225 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.888 3.749 12.704 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.821 3.499 12.153 1.00 2.00 O ATOM 0 H GLU A 47 -7.779 5.481 8.968 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.859 3.982 10.477 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.155 6.944 10.658 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.939 5.953 11.872 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.042 5.685 10.921 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.565 6.288 12.481 1.00 0.39 H new ATOM 726 N LYS A 48 -10.463 5.976 8.009 1.00 0.18 N ATOM 727 CA LYS A 48 -11.573 6.523 7.166 1.00 0.17 C ATOM 728 C LYS A 48 -12.123 5.414 6.268 1.00 0.15 C ATOM 729 O LYS A 48 -13.239 5.485 5.795 1.00 0.18 O ATOM 730 CB LYS A 48 -11.036 7.664 6.298 1.00 0.21 C ATOM 731 CG LYS A 48 -12.204 8.443 5.684 1.00 0.26 C ATOM 732 CD LYS A 48 -11.663 9.658 4.926 1.00 1.09 C ATOM 733 CE LYS A 48 -12.820 10.416 4.274 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.636 11.082 5.329 1.00 2.16 N ATOM 0 H LYS A 48 -9.532 6.040 7.597 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.369 6.898 7.809 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.418 8.331 6.899 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.399 7.264 5.509 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.768 7.801 5.008 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.892 8.765 6.466 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.125 10.315 5.609 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.951 9.337 4.165 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.434 11.158 3.575 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.441 9.729 3.699 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.269 11.780 4.889 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.203 10.369 5.831 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.006 11.562 6.003 1.00 2.16 H new ATOM 748 N TYR A 49 -11.345 4.386 6.033 1.00 0.13 N ATOM 749 CA TYR A 49 -11.812 3.256 5.169 1.00 0.13 C ATOM 750 C TYR A 49 -11.468 1.926 5.845 1.00 0.11 C ATOM 751 O TYR A 49 -10.627 1.183 5.382 1.00 0.11 O ATOM 752 CB TYR A 49 -11.121 3.339 3.802 1.00 0.15 C ATOM 753 CG TYR A 49 -11.819 4.371 2.948 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.083 4.082 2.403 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.215 5.622 2.702 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.746 5.038 1.611 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.877 6.579 1.912 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.144 6.287 1.364 1.00 0.21 C ATOM 759 OH TYR A 49 -13.794 7.225 0.588 1.00 0.24 O ATOM 0 H TYR A 49 -10.401 4.280 6.405 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.891 3.321 5.030 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.072 3.605 3.928 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.146 2.367 3.310 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.546 3.125 2.593 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.244 5.845 3.120 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.716 4.814 1.193 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.416 7.537 1.725 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.241 8.031 0.518 1.00 0.24 H new ATOM 769 N SER A 50 -12.119 1.622 6.933 1.00 0.12 N ATOM 770 CA SER A 50 -11.839 0.339 7.637 1.00 0.13 C ATOM 771 C SER A 50 -12.294 -0.825 6.758 1.00 0.13 C ATOM 772 O SER A 50 -12.114 -1.980 7.091 1.00 0.14 O ATOM 773 CB SER A 50 -12.604 0.307 8.960 1.00 0.16 C ATOM 774 OG SER A 50 -14.001 0.363 8.696 1.00 0.17 O ATOM 0 H SER A 50 -12.834 2.207 7.366 1.00 0.12 H new ATOM 0 HA SER A 50 -10.770 0.254 7.835 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.362 -0.602 9.511 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.306 1.148 9.586 1.00 0.16 H new ATOM 0 HG SER A 50 -14.495 0.341 9.542 1.00 0.17 H new ATOM 780 N ASN A 51 -12.893 -0.527 5.635 1.00 0.13 N ATOM 781 CA ASN A 51 -13.377 -1.604 4.722 1.00 0.15 C ATOM 782 C ASN A 51 -12.314 -1.889 3.660 1.00 0.13 C ATOM 783 O ASN A 51 -12.481 -2.754 2.823 1.00 0.14 O ATOM 784 CB ASN A 51 -14.664 -1.135 4.042 1.00 0.17 C ATOM 785 CG ASN A 51 -15.274 -2.283 3.236 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.026 -3.077 3.762 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.983 -2.402 1.969 1.00 0.32 N ATOM 0 H ASN A 51 -13.069 0.423 5.309 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.569 -2.513 5.292 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.375 -0.787 4.791 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.452 -0.291 3.386 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.388 -3.162 1.422 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.351 -1.735 1.526 1.00 0.32 H new ATOM 794 N VAL A 52 -11.221 -1.167 3.693 1.00 0.11 N ATOM 795 CA VAL A 52 -10.125 -1.381 2.692 1.00 0.10 C ATOM 796 C VAL A 52 -8.863 -1.837 3.422 1.00 0.10 C ATOM 797 O VAL A 52 -8.645 -1.511 4.572 1.00 0.11 O ATOM 798 CB VAL A 52 -9.839 -0.068 1.964 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.611 -0.232 1.064 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.056 0.312 1.114 1.00 0.12 C ATOM 0 H VAL A 52 -11.038 -0.432 4.376 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.430 -2.139 1.971 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.643 0.718 2.693 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.411 0.706 0.547 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.748 -0.503 1.672 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.799 -1.017 0.331 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.857 1.248 0.592 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.251 -0.475 0.386 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.926 0.433 1.759 1.00 0.12 H new ATOM 810 N ILE A 53 -8.038 -2.608 2.765 1.00 0.09 N ATOM 811 CA ILE A 53 -6.788 -3.114 3.411 1.00 0.09 C ATOM 812 C ILE A 53 -5.598 -2.268 2.941 1.00 0.09 C ATOM 813 O ILE A 53 -5.382 -2.089 1.758 1.00 0.14 O ATOM 814 CB ILE A 53 -6.559 -4.571 2.998 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.890 -5.346 3.031 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.526 -5.232 3.926 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.666 -5.102 4.340 1.00 0.17 C ATOM 0 H ILE A 53 -8.176 -2.912 1.801 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.884 -3.048 4.495 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.170 -4.592 1.980 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.506 -5.046 2.183 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.692 -6.412 2.920 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.373 -6.267 3.621 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.582 -4.692 3.863 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.890 -5.206 4.953 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.598 -5.667 4.321 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.062 -5.427 5.187 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.888 -4.039 4.439 1.00 0.17 H new ATOM 829 N PHE A 54 -4.824 -1.755 3.863 1.00 0.08 N ATOM 830 CA PHE A 54 -3.633 -0.924 3.496 1.00 0.08 C ATOM 831 C PHE A 54 -2.368 -1.660 3.925 1.00 0.08 C ATOM 832 O PHE A 54 -2.269 -2.144 5.028 1.00 0.11 O ATOM 833 CB PHE A 54 -3.706 0.417 4.225 1.00 0.08 C ATOM 834 CG PHE A 54 -4.937 1.160 3.768 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.988 1.695 2.468 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.034 1.321 4.638 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.134 2.391 2.034 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.181 2.017 4.206 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.231 2.552 2.904 1.00 0.09 C ATOM 0 H PHE A 54 -4.966 -1.877 4.866 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.619 -0.753 2.420 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.741 0.258 5.303 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.813 1.006 4.019 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.147 1.572 1.801 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.996 0.911 5.636 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.172 2.801 1.035 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.021 2.140 4.873 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.110 3.085 2.573 1.00 0.09 H new ATOM 849 N LEU A 55 -1.407 -1.766 3.050 1.00 0.08 N ATOM 850 CA LEU A 55 -0.137 -2.486 3.387 1.00 0.09 C ATOM 851 C LEU A 55 1.016 -1.477 3.397 1.00 0.09 C ATOM 852 O LEU A 55 0.853 -0.327 3.042 1.00 0.10 O ATOM 853 CB LEU A 55 0.142 -3.562 2.324 1.00 0.10 C ATOM 854 CG LEU A 55 -0.676 -4.836 2.602 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.161 -4.498 2.787 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.507 -5.794 1.416 1.00 0.12 C ATOM 0 H LEU A 55 -1.443 -1.382 2.106 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.230 -2.959 4.365 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.106 -3.175 1.336 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.205 -3.803 2.315 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.317 -5.302 3.519 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.721 -5.413 2.982 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.277 -3.815 3.629 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.542 -4.026 1.882 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.081 -6.703 1.598 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.866 -5.313 0.506 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.547 -6.048 1.300 1.00 0.12 H new ATOM 868 N GLU A 56 2.181 -1.906 3.797 1.00 0.09 N ATOM 869 CA GLU A 56 3.360 -0.992 3.828 1.00 0.09 C ATOM 870 C GLU A 56 4.600 -1.804 3.450 1.00 0.09 C ATOM 871 O GLU A 56 4.720 -2.958 3.814 1.00 0.10 O ATOM 872 CB GLU A 56 3.516 -0.414 5.239 1.00 0.09 C ATOM 873 CG GLU A 56 4.533 0.732 5.221 1.00 0.11 C ATOM 874 CD GLU A 56 4.491 1.476 6.559 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.553 2.227 6.769 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.399 1.282 7.350 1.00 1.24 O ATOM 0 H GLU A 56 2.369 -2.859 4.107 1.00 0.09 H new ATOM 0 HA GLU A 56 3.229 -0.168 3.126 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.554 -0.053 5.602 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.844 -1.193 5.927 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.534 0.340 5.042 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.309 1.418 4.404 1.00 0.11 H new ATOM 883 N VAL A 57 5.512 -1.228 2.708 1.00 0.08 N ATOM 884 CA VAL A 57 6.731 -1.993 2.287 1.00 0.08 C ATOM 885 C VAL A 57 7.978 -1.107 2.367 1.00 0.09 C ATOM 886 O VAL A 57 7.953 0.062 2.028 1.00 0.14 O ATOM 887 CB VAL A 57 6.548 -2.465 0.843 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.770 -3.283 0.420 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.292 -3.333 0.738 1.00 0.09 C ATOM 0 H VAL A 57 5.468 -0.265 2.375 1.00 0.08 H new ATOM 0 HA VAL A 57 6.860 -2.845 2.954 1.00 0.08 H new ATOM 0 HB VAL A 57 6.442 -1.599 0.190 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.643 -3.621 -0.608 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.664 -2.664 0.491 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.874 -4.147 1.076 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.166 -3.667 -0.292 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.393 -4.200 1.391 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.421 -2.751 1.040 1.00 0.09 H new ATOM 899 N ASP A 58 9.076 -1.674 2.803 1.00 0.09 N ATOM 900 CA ASP A 58 10.356 -0.906 2.901 1.00 0.09 C ATOM 901 C ASP A 58 11.216 -1.233 1.674 1.00 0.10 C ATOM 902 O ASP A 58 11.860 -2.262 1.610 1.00 0.11 O ATOM 903 CB ASP A 58 11.094 -1.314 4.182 1.00 0.11 C ATOM 904 CG ASP A 58 12.142 -0.255 4.537 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.749 0.825 4.943 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.319 -0.544 4.401 1.00 1.06 O ATOM 0 H ASP A 58 9.140 -2.648 3.099 1.00 0.09 H new ATOM 0 HA ASP A 58 10.155 0.165 2.934 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.384 -1.425 5.002 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.575 -2.282 4.043 1.00 0.11 H new ATOM 911 N VAL A 59 11.215 -0.373 0.692 1.00 0.12 N ATOM 912 CA VAL A 59 12.008 -0.630 -0.547 1.00 0.15 C ATOM 913 C VAL A 59 13.497 -0.792 -0.223 1.00 0.18 C ATOM 914 O VAL A 59 14.293 -1.049 -1.103 1.00 0.27 O ATOM 915 CB VAL A 59 11.840 0.549 -1.508 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.437 0.524 -2.111 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.043 1.861 -0.748 1.00 0.22 C ATOM 0 H VAL A 59 10.695 0.504 0.694 1.00 0.12 H new ATOM 0 HA VAL A 59 11.644 -1.551 -1.002 1.00 0.15 H new ATOM 0 HB VAL A 59 12.579 0.472 -2.306 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.320 1.365 -2.795 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.291 -0.409 -2.655 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.697 0.599 -1.314 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.923 2.700 -1.433 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.305 1.937 0.051 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.045 1.882 -0.320 1.00 0.22 H new ATOM 927 N ASP A 60 13.889 -0.635 1.017 1.00 0.16 N ATOM 928 CA ASP A 60 15.342 -0.762 1.375 1.00 0.18 C ATOM 929 C ASP A 60 15.592 -2.054 2.161 1.00 0.17 C ATOM 930 O ASP A 60 16.555 -2.754 1.924 1.00 0.18 O ATOM 931 CB ASP A 60 15.759 0.436 2.230 1.00 0.21 C ATOM 932 CG ASP A 60 15.129 1.714 1.671 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.248 1.939 0.481 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.537 2.447 2.444 1.00 1.11 O ATOM 0 H ASP A 60 13.269 -0.424 1.799 1.00 0.16 H new ATOM 0 HA ASP A 60 15.928 -0.789 0.456 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.444 0.285 3.262 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.845 0.528 2.239 1.00 0.21 H new ATOM 939 N ASP A 61 14.744 -2.368 3.103 1.00 0.17 N ATOM 940 CA ASP A 61 14.949 -3.606 3.915 1.00 0.17 C ATOM 941 C ASP A 61 14.153 -4.763 3.302 1.00 0.16 C ATOM 942 O ASP A 61 14.361 -5.910 3.642 1.00 0.18 O ATOM 943 CB ASP A 61 14.478 -3.344 5.351 1.00 0.19 C ATOM 944 CG ASP A 61 14.340 -4.666 6.114 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.335 -5.123 6.650 1.00 1.07 O ATOM 946 OD2 ASP A 61 13.244 -5.200 6.143 1.00 1.12 O ATOM 0 H ASP A 61 13.918 -1.822 3.347 1.00 0.17 H new ATOM 0 HA ASP A 61 16.006 -3.874 3.923 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.189 -2.694 5.861 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.521 -2.822 5.338 1.00 0.19 H new ATOM 951 N ALA A 62 13.250 -4.470 2.401 1.00 0.16 N ATOM 952 CA ALA A 62 12.435 -5.548 1.752 1.00 0.16 C ATOM 953 C ALA A 62 12.663 -5.497 0.241 1.00 0.16 C ATOM 954 O ALA A 62 11.734 -5.542 -0.540 1.00 0.15 O ATOM 955 CB ALA A 62 10.954 -5.322 2.057 1.00 0.17 C ATOM 0 H ALA A 62 13.039 -3.524 2.083 1.00 0.16 H new ATOM 0 HA ALA A 62 12.734 -6.523 2.137 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.362 -6.106 1.585 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.797 -5.348 3.135 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.647 -4.351 1.668 1.00 0.17 H new ATOM 961 N GLN A 63 13.898 -5.398 -0.174 1.00 0.20 N ATOM 962 CA GLN A 63 14.197 -5.338 -1.633 1.00 0.22 C ATOM 963 C GLN A 63 13.614 -6.566 -2.340 1.00 0.20 C ATOM 964 O GLN A 63 13.534 -6.612 -3.551 1.00 0.20 O ATOM 965 CB GLN A 63 15.713 -5.302 -1.844 1.00 0.29 C ATOM 966 CG GLN A 63 16.377 -6.388 -0.994 1.00 0.90 C ATOM 967 CD GLN A 63 17.841 -6.538 -1.411 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.535 -5.559 -1.596 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.343 -7.734 -1.569 1.00 2.22 N ATOM 0 H GLN A 63 14.714 -5.356 0.437 1.00 0.20 H new ATOM 0 HA GLN A 63 13.747 -4.438 -2.051 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.947 -5.457 -2.897 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.105 -4.322 -1.571 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.314 -6.127 0.062 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.853 -7.335 -1.121 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.760 -8.556 -1.414 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.318 -7.845 -1.848 1.00 2.22 H new ATOM 978 N ASP A 64 13.207 -7.560 -1.599 1.00 0.19 N ATOM 979 CA ASP A 64 12.635 -8.776 -2.241 1.00 0.20 C ATOM 980 C ASP A 64 11.274 -8.434 -2.851 1.00 0.17 C ATOM 981 O ASP A 64 10.955 -8.849 -3.948 1.00 0.19 O ATOM 982 CB ASP A 64 12.469 -9.877 -1.190 1.00 0.22 C ATOM 983 CG ASP A 64 11.894 -9.277 0.094 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.639 -8.624 0.805 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.718 -9.482 0.344 1.00 1.09 O ATOM 0 H ASP A 64 13.246 -7.582 -0.580 1.00 0.19 H new ATOM 0 HA ASP A 64 13.305 -9.126 -3.026 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.808 -10.657 -1.567 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.431 -10.346 -0.985 1.00 0.22 H new ATOM 990 N VAL A 65 10.474 -7.672 -2.156 1.00 0.15 N ATOM 991 CA VAL A 65 9.144 -7.297 -2.709 1.00 0.16 C ATOM 992 C VAL A 65 9.347 -6.270 -3.822 1.00 0.16 C ATOM 993 O VAL A 65 8.776 -6.371 -4.890 1.00 0.19 O ATOM 994 CB VAL A 65 8.282 -6.690 -1.599 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.826 -6.611 -2.061 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.373 -7.570 -0.346 1.00 0.18 C ATOM 0 H VAL A 65 10.684 -7.294 -1.232 1.00 0.15 H new ATOM 0 HA VAL A 65 8.643 -8.180 -3.107 1.00 0.16 H new ATOM 0 HB VAL A 65 8.642 -5.687 -1.369 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.216 -6.178 -1.268 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.760 -5.986 -2.952 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.463 -7.612 -2.293 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.760 -7.140 0.446 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.014 -8.573 -0.579 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.410 -7.624 -0.014 1.00 0.18 H new ATOM 1006 N ALA A 66 10.169 -5.285 -3.581 1.00 0.16 N ATOM 1007 CA ALA A 66 10.426 -4.250 -4.621 1.00 0.18 C ATOM 1008 C ALA A 66 11.087 -4.906 -5.836 1.00 0.19 C ATOM 1009 O ALA A 66 10.867 -4.511 -6.964 1.00 0.20 O ATOM 1010 CB ALA A 66 11.361 -3.180 -4.053 1.00 0.22 C ATOM 0 H ALA A 66 10.675 -5.153 -2.705 1.00 0.16 H new ATOM 0 HA ALA A 66 9.484 -3.791 -4.920 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.550 -2.422 -4.813 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.896 -2.715 -3.184 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.304 -3.640 -3.757 1.00 0.22 H new ATOM 1016 N SER A 67 11.896 -5.907 -5.613 1.00 0.21 N ATOM 1017 CA SER A 67 12.572 -6.586 -6.752 1.00 0.26 C ATOM 1018 C SER A 67 11.520 -7.250 -7.645 1.00 0.26 C ATOM 1019 O SER A 67 11.471 -7.022 -8.838 1.00 0.29 O ATOM 1020 CB SER A 67 13.534 -7.647 -6.215 1.00 0.31 C ATOM 1021 OG SER A 67 14.670 -7.004 -5.646 1.00 1.29 O ATOM 0 H SER A 67 12.117 -6.283 -4.691 1.00 0.21 H new ATOM 0 HA SER A 67 13.131 -5.853 -7.334 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.035 -8.261 -5.465 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.844 -8.315 -7.019 1.00 0.31 H new ATOM 0 HG SER A 67 14.392 -6.478 -4.867 1.00 1.29 H new ATOM 1027 N GLU A 68 10.674 -8.064 -7.075 1.00 0.26 N ATOM 1028 CA GLU A 68 9.620 -8.738 -7.889 1.00 0.30 C ATOM 1029 C GLU A 68 8.673 -7.685 -8.471 1.00 0.31 C ATOM 1030 O GLU A 68 8.140 -7.844 -9.550 1.00 0.36 O ATOM 1031 CB GLU A 68 8.831 -9.699 -6.993 1.00 0.31 C ATOM 1032 CG GLU A 68 7.870 -10.536 -7.842 1.00 0.39 C ATOM 1033 CD GLU A 68 8.666 -11.507 -8.717 1.00 1.43 C ATOM 1034 OE1 GLU A 68 8.928 -12.607 -8.258 1.00 2.20 O ATOM 1035 OE2 GLU A 68 8.997 -11.135 -9.831 1.00 2.19 O ATOM 0 H GLU A 68 10.666 -8.292 -6.081 1.00 0.26 H new ATOM 0 HA GLU A 68 10.084 -9.294 -8.703 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.517 -10.353 -6.454 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.273 -9.136 -6.245 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.187 -11.089 -7.197 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.260 -9.884 -8.467 1.00 0.39 H new ATOM 1042 N ALA A 69 8.456 -6.608 -7.761 1.00 0.29 N ATOM 1043 CA ALA A 69 7.540 -5.543 -8.265 1.00 0.31 C ATOM 1044 C ALA A 69 8.328 -4.545 -9.124 1.00 0.29 C ATOM 1045 O ALA A 69 7.773 -3.621 -9.684 1.00 0.33 O ATOM 1046 CB ALA A 69 6.916 -4.815 -7.073 1.00 0.31 C ATOM 0 H ALA A 69 8.876 -6.420 -6.851 1.00 0.29 H new ATOM 0 HA ALA A 69 6.755 -5.993 -8.873 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.245 -4.035 -7.433 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.354 -5.525 -6.467 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.704 -4.365 -6.468 1.00 0.31 H new ATOM 1052 N GLU A 70 9.614 -4.731 -9.233 1.00 0.27 N ATOM 1053 CA GLU A 70 10.442 -3.802 -10.057 1.00 0.29 C ATOM 1054 C GLU A 70 10.118 -2.345 -9.704 1.00 0.25 C ATOM 1055 O GLU A 70 9.858 -1.532 -10.568 1.00 0.26 O ATOM 1056 CB GLU A 70 10.150 -4.040 -11.542 1.00 0.38 C ATOM 1057 CG GLU A 70 10.249 -5.535 -11.852 1.00 1.18 C ATOM 1058 CD GLU A 70 10.190 -5.749 -13.366 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.914 -5.066 -14.070 1.00 2.34 O ATOM 1060 OE2 GLU A 70 9.420 -6.593 -13.795 1.00 2.06 O ATOM 0 H GLU A 70 10.130 -5.489 -8.786 1.00 0.27 H new ATOM 0 HA GLU A 70 11.495 -3.992 -9.851 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.155 -3.672 -11.791 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.858 -3.483 -12.156 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.180 -5.939 -11.453 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.434 -6.072 -11.366 1.00 1.18 H new ATOM 1067 N VAL A 71 10.148 -2.004 -8.442 1.00 0.22 N ATOM 1068 CA VAL A 71 9.861 -0.596 -8.040 1.00 0.19 C ATOM 1069 C VAL A 71 11.112 0.252 -8.281 1.00 0.23 C ATOM 1070 O VAL A 71 12.206 -0.134 -7.921 1.00 0.28 O ATOM 1071 CB VAL A 71 9.496 -0.548 -6.556 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.110 0.881 -6.174 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.310 -1.479 -6.295 1.00 0.19 C ATOM 0 H VAL A 71 10.359 -2.640 -7.673 1.00 0.22 H new ATOM 0 HA VAL A 71 9.028 -0.209 -8.627 1.00 0.19 H new ATOM 0 HB VAL A 71 10.351 -0.868 -5.960 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.849 0.917 -5.116 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.951 1.548 -6.364 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.254 1.198 -6.770 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.048 -1.447 -5.237 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.456 -1.156 -6.891 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.580 -2.498 -6.571 1.00 0.19 H new ATOM 1083 N LYS A 72 10.958 1.400 -8.893 1.00 0.24 N ATOM 1084 CA LYS A 72 12.138 2.285 -9.168 1.00 0.29 C ATOM 1085 C LYS A 72 11.839 3.699 -8.671 1.00 0.26 C ATOM 1086 O LYS A 72 12.621 4.611 -8.858 1.00 0.27 O ATOM 1087 CB LYS A 72 12.400 2.325 -10.675 1.00 0.35 C ATOM 1088 CG LYS A 72 12.823 0.937 -11.162 1.00 0.43 C ATOM 1089 CD LYS A 72 13.193 1.007 -12.645 1.00 1.16 C ATOM 1090 CE LYS A 72 13.683 -0.363 -13.118 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.917 -0.325 -14.589 1.00 2.40 N ATOM 0 H LYS A 72 10.063 1.766 -9.216 1.00 0.24 H new ATOM 0 HA LYS A 72 13.015 1.894 -8.653 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.502 2.648 -11.202 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.180 3.053 -10.899 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.673 0.579 -10.581 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.012 0.225 -11.012 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.328 1.317 -13.231 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.969 1.756 -12.801 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.603 -0.631 -12.599 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.946 -1.129 -12.876 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.250 -1.256 -14.912 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.029 -0.087 -15.076 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.635 0.395 -14.808 1.00 2.40 H new ATOM 1105 N ALA A 73 10.714 3.892 -8.038 1.00 0.22 N ATOM 1106 CA ALA A 73 10.365 5.253 -7.530 1.00 0.20 C ATOM 1107 C ALA A 73 9.433 5.118 -6.332 1.00 0.18 C ATOM 1108 O ALA A 73 8.611 4.234 -6.290 1.00 0.16 O ATOM 1109 CB ALA A 73 9.657 6.046 -8.646 1.00 0.21 C ATOM 0 H ALA A 73 10.021 3.168 -7.850 1.00 0.22 H new ATOM 0 HA ALA A 73 11.272 5.778 -7.229 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.400 7.040 -8.279 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.321 6.136 -9.506 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.748 5.523 -8.943 1.00 0.21 H new ATOM 1115 N THR A 74 9.540 6.003 -5.370 1.00 0.18 N ATOM 1116 CA THR A 74 8.636 5.945 -4.178 1.00 0.17 C ATOM 1117 C THR A 74 7.969 7.320 -3.997 1.00 0.17 C ATOM 1118 O THR A 74 8.577 8.324 -4.320 1.00 0.19 O ATOM 1119 CB THR A 74 9.448 5.618 -2.910 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.529 6.524 -2.802 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.007 4.186 -2.968 1.00 0.19 C ATOM 0 H THR A 74 10.217 6.766 -5.359 1.00 0.18 H new ATOM 0 HA THR A 74 7.885 5.170 -4.333 1.00 0.17 H new ATOM 0 HB THR A 74 8.787 5.704 -2.047 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.047 6.320 -1.995 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.576 3.981 -2.061 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.183 3.477 -3.048 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.659 4.085 -3.836 1.00 0.19 H new ATOM 1129 N PRO A 75 6.767 7.353 -3.461 1.00 0.17 N ATOM 1130 CA PRO A 75 5.988 6.156 -3.053 1.00 0.16 C ATOM 1131 C PRO A 75 5.347 5.499 -4.280 1.00 0.14 C ATOM 1132 O PRO A 75 4.907 6.174 -5.189 1.00 0.14 O ATOM 1133 CB PRO A 75 4.893 6.712 -2.120 1.00 0.17 C ATOM 1134 CG PRO A 75 4.900 8.258 -2.276 1.00 0.20 C ATOM 1135 CD PRO A 75 6.094 8.633 -3.181 1.00 0.19 C ATOM 0 HA PRO A 75 6.607 5.400 -2.571 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.918 6.303 -2.384 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.088 6.429 -1.086 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.964 8.602 -2.716 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.991 8.740 -1.303 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.759 9.114 -4.100 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.765 9.332 -2.682 1.00 0.19 H new ATOM 1143 N THR A 76 5.261 4.189 -4.292 1.00 0.13 N ATOM 1144 CA THR A 76 4.605 3.484 -5.442 1.00 0.12 C ATOM 1145 C THR A 76 3.311 2.860 -4.935 1.00 0.12 C ATOM 1146 O THR A 76 3.329 1.938 -4.146 1.00 0.18 O ATOM 1147 CB THR A 76 5.515 2.375 -5.994 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.852 2.825 -5.980 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.107 2.037 -7.426 1.00 0.13 C ATOM 0 H THR A 76 5.616 3.578 -3.557 1.00 0.13 H new ATOM 0 HA THR A 76 4.411 4.198 -6.242 1.00 0.12 H new ATOM 0 HB THR A 76 5.419 1.483 -5.375 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.912 3.687 -6.441 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.755 1.250 -7.813 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.073 1.694 -7.438 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.202 2.925 -8.051 1.00 0.13 H new ATOM 1157 N PHE A 77 2.185 3.350 -5.374 1.00 0.09 N ATOM 1158 CA PHE A 77 0.902 2.763 -4.900 1.00 0.09 C ATOM 1159 C PHE A 77 0.519 1.619 -5.820 1.00 0.09 C ATOM 1160 O PHE A 77 0.321 1.794 -7.005 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.202 3.815 -4.894 1.00 0.10 C ATOM 1162 CG PHE A 77 0.108 4.819 -3.819 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.136 4.487 -2.474 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.640 6.079 -4.153 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.158 5.415 -1.456 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.934 7.010 -3.137 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.690 6.681 -1.788 1.00 0.12 C ATOM 0 H PHE A 77 2.098 4.123 -6.033 1.00 0.09 H new ATOM 0 HA PHE A 77 1.029 2.398 -3.881 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.264 4.306 -5.865 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.170 3.349 -4.710 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.548 3.521 -2.222 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.823 6.332 -5.187 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.023 5.159 -0.423 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.346 7.975 -3.392 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.910 7.396 -1.009 1.00 0.12 H new ATOM 1177 N GLN A 78 0.425 0.442 -5.272 1.00 0.07 N ATOM 1178 CA GLN A 78 0.062 -0.754 -6.076 1.00 0.07 C ATOM 1179 C GLN A 78 -1.260 -1.284 -5.543 1.00 0.06 C ATOM 1180 O GLN A 78 -1.470 -1.361 -4.349 1.00 0.07 O ATOM 1181 CB GLN A 78 1.163 -1.805 -5.911 1.00 0.08 C ATOM 1182 CG GLN A 78 2.522 -1.137 -6.105 1.00 0.12 C ATOM 1183 CD GLN A 78 3.608 -2.206 -6.243 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.402 -3.347 -5.882 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.764 -1.880 -6.752 1.00 1.03 N ATOM 0 H GLN A 78 0.588 0.256 -4.282 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.038 -0.510 -7.134 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.105 -2.259 -4.922 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.030 -2.606 -6.638 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.504 -0.506 -6.994 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.743 -0.488 -5.258 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.936 -0.921 -7.055 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.496 -2.584 -6.847 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.165 -1.621 -6.420 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.503 -2.118 -5.976 1.00 0.07 C ATOM 1196 C PHE A 79 -3.622 -3.601 -6.294 1.00 0.07 C ATOM 1197 O PHE A 79 -3.501 -4.019 -7.429 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.590 -1.332 -6.714 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.520 0.112 -6.274 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.453 0.915 -6.694 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.506 0.647 -5.429 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.359 2.259 -6.278 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.419 1.985 -5.000 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.347 2.792 -5.426 1.00 0.11 C ATOM 0 H PHE A 79 -2.037 -1.574 -7.431 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.619 -1.978 -4.901 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.446 -1.407 -7.792 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.573 -1.748 -6.494 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.695 0.501 -7.343 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.333 0.031 -5.108 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.536 2.875 -6.610 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.174 2.392 -4.344 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.282 3.820 -5.100 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.854 -4.399 -5.285 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.985 -5.872 -5.482 1.00 0.08 C ATOM 1216 C PHE A 80 -5.362 -6.317 -4.998 1.00 0.11 C ATOM 1217 O PHE A 80 -6.009 -5.644 -4.219 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.913 -6.596 -4.665 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.549 -6.369 -5.274 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.165 -7.081 -6.429 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.649 -5.457 -4.680 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.114 -6.884 -6.987 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.627 -5.261 -5.240 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.009 -5.973 -6.393 1.00 0.14 C ATOM 0 H PHE A 80 -3.960 -4.087 -4.319 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.863 -6.111 -6.538 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.924 -6.235 -3.636 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.131 -7.663 -4.631 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.852 -7.778 -6.886 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.940 -4.910 -3.796 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.408 -7.432 -7.870 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.314 -4.563 -4.785 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.988 -5.821 -6.822 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.810 -7.448 -5.455 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.139 -7.955 -5.031 1.00 0.14 C ATOM 1236 C LYS A 81 -7.141 -9.473 -5.223 1.00 0.14 C ATOM 1237 O LYS A 81 -6.897 -9.963 -6.307 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.230 -7.300 -5.892 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.583 -7.373 -5.176 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.630 -6.586 -5.970 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.886 -6.377 -5.115 1.00 0.72 C ATOM 1242 NZ LYS A 81 -13.064 -6.183 -6.006 1.00 1.48 N ATOM 0 H LYS A 81 -5.308 -8.048 -6.110 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.337 -7.714 -3.987 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.971 -6.260 -6.091 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.293 -7.803 -6.857 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.896 -8.412 -5.074 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.495 -6.966 -4.169 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.221 -5.622 -6.272 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.886 -7.124 -6.883 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.045 -7.238 -4.466 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.759 -5.509 -4.468 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.917 -6.041 -5.428 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.911 -5.349 -6.608 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.188 -7.024 -6.605 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.383 -10.215 -4.176 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.374 -11.700 -4.292 1.00 0.20 C ATOM 1258 C LYS A 82 -6.021 -12.163 -4.849 1.00 0.20 C ATOM 1259 O LYS A 82 -5.941 -13.116 -5.599 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.502 -12.165 -5.229 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.841 -12.182 -4.484 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.895 -12.882 -5.347 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.285 -12.694 -4.730 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.193 -13.769 -5.221 1.00 1.67 N ATOM 0 H LYS A 82 -7.587 -9.855 -3.244 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.531 -12.134 -3.305 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.566 -11.500 -6.090 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.279 -13.161 -5.612 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.733 -12.700 -3.531 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.157 -11.163 -4.259 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.878 -12.475 -6.358 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.664 -13.944 -5.428 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.220 -12.726 -3.642 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.684 -11.715 -4.997 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.137 -13.643 -4.803 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.263 -13.718 -6.257 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.813 -14.697 -4.945 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.957 -11.508 -4.478 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.616 -11.926 -4.976 1.00 0.21 C ATOM 1280 C GLY A 83 -3.446 -11.528 -6.444 1.00 0.19 C ATOM 1281 O GLY A 83 -2.482 -11.905 -7.080 1.00 0.22 O ATOM 0 H GLY A 83 -4.957 -10.702 -3.852 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.836 -11.461 -4.374 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.501 -13.005 -4.869 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.373 -10.775 -6.986 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.265 -10.351 -8.425 1.00 0.17 C ATOM 1287 C GLN A 84 -4.061 -8.835 -8.510 1.00 0.16 C ATOM 1288 O GLN A 84 -4.574 -8.083 -7.709 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.553 -10.728 -9.156 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.778 -12.239 -9.054 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.206 -12.576 -9.489 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -8.209 -12.182 -8.753 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -7.410 -13.206 -10.507 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.201 -10.434 -6.497 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.414 -10.853 -8.886 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.399 -10.194 -8.723 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.490 -10.429 -10.202 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.061 -12.767 -9.683 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.610 -12.574 -8.030 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -6.626 -13.514 -11.082 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.366 -13.427 -10.787 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.315 -8.380 -9.484 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.077 -6.914 -9.631 1.00 0.17 C ATOM 1304 C LYS A 85 -4.215 -6.295 -10.443 1.00 0.16 C ATOM 1305 O LYS A 85 -4.742 -6.912 -11.348 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.746 -6.677 -10.352 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.502 -5.169 -10.506 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.012 -4.898 -10.744 1.00 0.30 C ATOM 1309 CE LYS A 85 0.468 -5.667 -11.977 1.00 0.89 C ATOM 1310 NZ LYS A 85 -0.480 -5.445 -13.105 1.00 1.70 N ATOM 0 H LYS A 85 -2.859 -8.963 -10.186 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.039 -6.452 -8.644 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.931 -7.131 -9.789 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.762 -7.154 -11.332 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.088 -4.781 -11.339 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.836 -4.645 -9.610 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.154 -3.830 -10.884 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.565 -5.199 -9.870 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.468 -5.336 -12.258 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.537 -6.731 -11.750 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 0.031 -5.518 -14.008 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 -1.231 -6.164 -13.074 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.903 -4.498 -13.022 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.605 -5.083 -10.121 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.722 -4.416 -10.866 1.00 0.16 C ATOM 1326 C VAL A 86 -5.299 -3.008 -11.309 1.00 0.18 C ATOM 1327 O VAL A 86 -5.822 -2.475 -12.267 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.951 -4.324 -9.953 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.660 -5.682 -9.906 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.513 -3.938 -8.538 1.00 0.17 C ATOM 0 H VAL A 86 -4.196 -4.525 -9.371 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.964 -5.003 -11.752 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.632 -3.568 -10.345 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.533 -5.614 -9.257 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.976 -5.962 -10.911 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.976 -6.436 -9.517 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.388 -3.873 -7.891 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.830 -4.693 -8.150 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.009 -2.972 -8.564 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.362 -2.398 -10.631 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.934 -1.026 -11.041 1.00 0.18 C ATOM 1342 C GLY A 87 -2.718 -0.582 -10.221 1.00 0.10 C ATOM 1343 O GLY A 87 -2.285 -1.268 -9.317 1.00 0.08 O ATOM 0 H GLY A 87 -3.879 -2.784 -9.820 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.688 -1.016 -12.103 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.755 -0.323 -10.897 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.163 0.562 -10.537 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.970 1.052 -9.783 1.00 0.10 C ATOM 1349 C GLU A 88 -0.605 2.466 -10.235 1.00 0.10 C ATOM 1350 O GLU A 88 -0.867 2.859 -11.353 1.00 0.11 O ATOM 1351 CB GLU A 88 0.213 0.120 -10.043 1.00 0.17 C ATOM 1352 CG GLU A 88 0.310 -0.177 -11.540 1.00 0.25 C ATOM 1353 CD GLU A 88 1.688 -0.762 -11.862 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.662 -0.039 -11.734 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.745 -1.923 -12.234 1.00 2.04 O ATOM 0 H GLU A 88 -2.485 1.177 -11.284 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.205 1.066 -8.719 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.136 0.581 -9.692 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.088 -0.808 -9.485 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.471 -0.879 -11.833 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.149 0.736 -12.113 1.00 0.25 H new ATOM 1362 N PHE A 89 0.017 3.224 -9.373 1.00 0.09 N ATOM 1363 CA PHE A 89 0.431 4.605 -9.751 1.00 0.09 C ATOM 1364 C PHE A 89 1.362 5.175 -8.679 1.00 0.09 C ATOM 1365 O PHE A 89 1.086 5.114 -7.505 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.795 5.514 -9.955 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.438 5.896 -8.639 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.816 6.832 -7.784 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.677 5.328 -8.268 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.428 7.196 -6.575 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.288 5.699 -7.058 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.664 6.629 -6.208 1.00 0.11 C ATOM 0 H PHE A 89 0.257 2.946 -8.421 1.00 0.09 H new ATOM 0 HA PHE A 89 0.968 4.563 -10.699 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.494 6.416 -10.488 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.526 5.003 -10.582 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.132 7.268 -8.061 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.155 4.608 -8.915 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.950 7.913 -5.924 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.239 5.269 -6.780 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.132 6.908 -5.275 1.00 0.11 H new ATOM 1382 N SER A 90 2.476 5.731 -9.079 1.00 0.13 N ATOM 1383 CA SER A 90 3.437 6.316 -8.089 1.00 0.14 C ATOM 1384 C SER A 90 3.295 7.838 -8.088 1.00 0.14 C ATOM 1385 O SER A 90 2.300 8.379 -8.529 1.00 0.17 O ATOM 1386 CB SER A 90 4.864 5.941 -8.491 1.00 0.15 C ATOM 1387 OG SER A 90 5.307 6.817 -9.520 1.00 0.16 O ATOM 0 H SER A 90 2.765 5.807 -10.054 1.00 0.13 H new ATOM 0 HA SER A 90 3.222 5.928 -7.093 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.527 6.009 -7.629 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.897 4.908 -8.837 1.00 0.15 H new ATOM 0 HG SER A 90 5.962 7.447 -9.154 1.00 0.16 H new ATOM 1393 N GLY A 91 4.282 8.531 -7.596 1.00 0.12 N ATOM 1394 CA GLY A 91 4.211 10.020 -7.567 1.00 0.13 C ATOM 1395 C GLY A 91 3.336 10.471 -6.397 1.00 0.13 C ATOM 1396 O GLY A 91 2.275 9.929 -6.158 1.00 0.13 O ATOM 0 H GLY A 91 5.138 8.131 -7.211 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.212 10.440 -7.468 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.801 10.393 -8.506 1.00 0.13 H new ATOM 1400 N ALA A 92 3.776 11.456 -5.663 1.00 0.15 N ATOM 1401 CA ALA A 92 2.970 11.937 -4.502 1.00 0.17 C ATOM 1402 C ALA A 92 1.572 12.348 -4.969 1.00 0.15 C ATOM 1403 O ALA A 92 1.335 13.493 -5.296 1.00 0.16 O ATOM 1404 CB ALA A 92 3.665 13.146 -3.860 1.00 0.20 C ATOM 0 H ALA A 92 4.656 11.948 -5.815 1.00 0.15 H new ATOM 0 HA ALA A 92 2.883 11.132 -3.773 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.076 13.497 -3.013 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.658 12.855 -3.516 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.756 13.946 -4.595 1.00 0.20 H new ATOM 1410 N ASN A 93 0.638 11.430 -4.970 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.760 11.767 -5.380 1.00 0.13 C ATOM 1412 C ASN A 93 -1.710 11.201 -4.325 1.00 0.12 C ATOM 1413 O ASN A 93 -2.392 10.219 -4.533 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.064 11.160 -6.753 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.237 11.912 -7.379 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.134 12.347 -6.686 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.266 12.088 -8.666 1.00 1.15 N ATOM 0 H ASN A 93 0.785 10.457 -4.703 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.885 12.847 -5.454 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.187 11.227 -7.397 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.306 10.102 -6.652 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.043 12.592 -9.094 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.512 11.722 -9.248 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.725 11.820 -3.184 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.588 11.354 -2.055 1.00 0.20 C ATOM 1426 C LYS A 94 -4.073 11.472 -2.411 1.00 0.18 C ATOM 1427 O LYS A 94 -4.867 10.617 -2.070 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.291 12.209 -0.816 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.084 13.669 -1.247 1.00 0.38 C ATOM 1430 CD LYS A 94 -2.031 14.580 -0.018 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.739 14.332 0.766 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.527 15.444 1.736 1.00 1.19 N ATOM 0 H LYS A 94 -1.166 12.647 -2.976 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.367 10.305 -1.856 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.115 12.140 -0.106 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.401 11.838 -0.308 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.159 13.760 -1.817 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.895 13.980 -1.905 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.083 15.624 -0.327 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.894 14.393 0.620 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.798 13.380 1.294 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.107 14.265 0.082 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.490 15.548 1.928 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.896 16.330 1.335 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.027 15.231 2.623 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.467 12.524 -3.071 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.904 12.681 -3.410 1.00 0.20 C ATOM 1448 C GLU A 95 -6.331 11.572 -4.378 1.00 0.17 C ATOM 1449 O GLU A 95 -7.476 11.167 -4.406 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.118 14.047 -4.066 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.904 15.153 -3.030 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.259 16.507 -3.647 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.309 16.600 -4.260 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.474 17.429 -3.495 1.00 1.86 O ATOM 0 H GLU A 95 -3.858 13.278 -3.388 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.503 12.612 -2.502 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.425 14.175 -4.898 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.125 14.110 -4.478 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.523 14.968 -2.152 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.867 15.155 -2.694 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.420 11.077 -5.169 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.770 9.995 -6.132 1.00 0.14 C ATOM 1463 C LYS A 96 -6.084 8.712 -5.361 1.00 0.12 C ATOM 1464 O LYS A 96 -6.910 7.930 -5.772 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.602 9.759 -7.099 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.932 8.600 -8.044 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.848 8.475 -9.122 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.349 7.568 -10.250 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.446 8.251 -10.991 1.00 2.05 N ATOM 0 H LYS A 96 -4.445 11.376 -5.190 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.646 10.291 -6.709 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.407 10.664 -7.674 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.694 9.535 -6.539 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.004 7.670 -7.480 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.903 8.766 -8.511 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.598 9.460 -9.517 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.936 8.064 -8.689 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.531 7.330 -10.930 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.707 6.624 -9.839 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.499 7.873 -11.959 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -6.350 8.084 -10.504 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -5.256 9.273 -11.028 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.443 8.485 -4.244 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.738 7.245 -3.467 1.00 0.11 C ATOM 1485 C LEU A 97 -7.249 7.157 -3.246 1.00 0.11 C ATOM 1486 O LEU A 97 -7.842 6.098 -3.309 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.047 7.304 -2.095 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.555 6.980 -2.228 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.854 7.336 -0.909 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.348 5.468 -2.547 1.00 0.13 C ATOM 0 H LEU A 97 -4.735 9.098 -3.839 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.374 6.378 -4.019 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.172 8.296 -1.661 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.519 6.596 -1.413 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.131 7.561 -3.046 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.791 7.110 -0.990 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.985 8.398 -0.703 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.288 6.752 -0.097 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.282 5.258 -2.638 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.770 4.865 -1.742 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.847 5.222 -3.484 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.868 8.272 -2.975 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.340 8.272 -2.730 1.00 0.14 C ATOM 1504 C GLU A 98 -10.069 7.873 -4.016 1.00 0.13 C ATOM 1505 O GLU A 98 -10.848 6.941 -4.040 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.777 9.677 -2.300 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.154 9.622 -1.630 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.219 9.257 -2.665 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.354 9.990 -3.631 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.886 8.255 -2.472 1.00 2.15 O ATOM 0 H GLU A 98 -7.419 9.185 -2.912 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.585 7.559 -1.943 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.046 10.098 -1.610 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.813 10.336 -3.168 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.148 8.886 -0.826 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.388 10.586 -1.179 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.822 8.579 -5.085 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.501 8.258 -6.372 1.00 0.14 C ATOM 1519 C ALA A 99 -10.176 6.826 -6.807 1.00 0.12 C ATOM 1520 O ALA A 99 -11.039 6.101 -7.250 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.026 9.231 -7.451 1.00 0.15 C ATOM 0 H ALA A 99 -9.176 9.368 -5.122 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.578 8.349 -6.233 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.521 8.999 -8.394 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.271 10.251 -7.154 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.947 9.138 -7.575 1.00 0.15 H new ATOM 1527 N THR A 100 -8.940 6.416 -6.699 1.00 0.11 N ATOM 1528 CA THR A 100 -8.567 5.036 -7.129 1.00 0.11 C ATOM 1529 C THR A 100 -9.224 4.003 -6.212 1.00 0.10 C ATOM 1530 O THR A 100 -9.748 3.006 -6.667 1.00 0.11 O ATOM 1531 CB THR A 100 -7.046 4.873 -7.076 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.439 5.901 -7.845 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.658 3.510 -7.652 1.00 0.12 C ATOM 0 H THR A 100 -8.172 6.977 -6.331 1.00 0.11 H new ATOM 0 HA THR A 100 -8.915 4.878 -8.150 1.00 0.11 H new ATOM 0 HB THR A 100 -6.707 4.939 -6.042 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.329 5.596 -8.770 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.575 3.394 -7.614 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.128 2.720 -7.066 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.994 3.443 -8.687 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.210 4.229 -4.930 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.847 3.252 -4.005 1.00 0.11 C ATOM 1543 C ILE A 101 -11.332 3.151 -4.360 1.00 0.13 C ATOM 1544 O ILE A 101 -11.857 2.078 -4.570 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.673 3.733 -2.552 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.218 3.483 -2.104 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.638 2.974 -1.625 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.877 4.329 -0.868 1.00 0.18 C ATOM 0 H ILE A 101 -8.788 5.043 -4.484 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.380 2.272 -4.103 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.896 4.798 -2.497 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.079 2.426 -1.877 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.535 3.727 -2.918 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.507 3.321 -0.600 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.665 3.156 -1.941 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.427 1.906 -1.676 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.847 4.137 -0.569 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.995 5.386 -1.107 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.547 4.065 -0.050 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.011 4.263 -4.428 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.461 4.235 -4.768 1.00 0.17 C ATOM 1562 C ASN A 102 -13.641 3.668 -6.179 1.00 0.18 C ATOM 1563 O ASN A 102 -14.727 3.295 -6.576 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.024 5.658 -4.706 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.553 5.606 -4.642 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.178 6.277 -3.712 1.00 0.81 O flip ATOM 1567 ND2 ASN A 102 -16.185 4.951 -5.446 1.00 1.03 N flip ATOM 0 H ASN A 102 -11.623 5.192 -4.262 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.994 3.605 -4.056 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.631 6.177 -3.832 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.706 6.224 -5.582 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -15.697 4.427 -6.173 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -17.203 4.925 -5.395 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.582 3.604 -6.942 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.689 3.069 -8.331 1.00 0.18 C ATOM 1576 C GLU A 103 -12.788 1.540 -8.303 1.00 0.19 C ATOM 1577 O GLU A 103 -13.755 0.961 -8.758 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.444 3.475 -9.131 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.728 3.353 -10.630 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.461 3.692 -11.419 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.090 4.854 -11.435 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -9.884 2.785 -11.994 1.00 2.02 O ATOM 0 H GLU A 103 -11.646 3.899 -6.663 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.584 3.479 -8.799 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.162 4.499 -8.887 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.602 2.839 -8.858 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.057 2.341 -10.867 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.537 4.026 -10.914 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.782 0.884 -7.789 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.791 -0.610 -7.749 1.00 0.19 C ATOM 1591 C LEU A 104 -12.378 -1.104 -6.422 1.00 0.19 C ATOM 1592 O LEU A 104 -12.153 -2.228 -6.019 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.350 -1.117 -7.895 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.731 -0.591 -9.200 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.203 -0.661 -9.111 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.202 -1.441 -10.388 1.00 0.35 C ATOM 0 H LEU A 104 -10.949 1.320 -7.393 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.407 -0.990 -8.564 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.754 -0.789 -7.043 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.338 -2.207 -7.892 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.047 0.442 -9.346 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.767 -0.287 -10.038 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.859 -0.051 -8.276 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.895 -1.695 -8.956 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.757 -1.060 -11.307 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.895 -2.476 -10.239 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.288 -1.392 -10.463 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.137 -0.285 -5.744 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.737 -0.730 -4.453 1.00 0.22 C ATOM 1610 C VAL A 105 -14.710 -1.879 -4.719 1.00 0.26 C ATOM 1611 O VAL A 105 -15.395 -1.828 -5.728 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.485 0.438 -3.799 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.575 0.943 -4.745 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.120 -0.029 -2.488 1.00 0.27 C ATOM 1615 OXT VAL A 105 -14.753 -2.794 -3.913 1.00 1.18 O ATOM 0 H VAL A 105 -13.367 0.668 -6.026 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.947 -1.068 -3.782 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.783 1.246 -3.593 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.106 1.773 -4.279 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.121 1.280 -5.677 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.277 0.136 -4.955 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.651 0.802 -2.025 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.821 -0.839 -2.691 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.341 -0.384 -1.813 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 22.564 3.986 5.818 1.00 0.00 N ATOM 1627 CA PHE B 1 21.828 2.990 6.650 1.00 0.00 C ATOM 1628 C PHE B 1 20.985 2.095 5.737 1.00 0.00 C ATOM 1629 O PHE B 1 20.950 0.893 5.900 1.00 0.00 O ATOM 1630 CB PHE B 1 20.918 3.724 7.670 1.00 0.00 C ATOM 1631 CG PHE B 1 20.761 5.170 7.268 1.00 0.00 C ATOM 1632 CD1 PHE B 1 19.870 5.521 6.237 1.00 0.00 C ATOM 1633 CD2 PHE B 1 21.515 6.169 7.918 1.00 0.00 C ATOM 1634 CE1 PHE B 1 19.729 6.871 5.858 1.00 0.00 C ATOM 1635 CE2 PHE B 1 21.374 7.516 7.538 1.00 0.00 C ATOM 1636 CZ PHE B 1 20.480 7.867 6.508 1.00 0.00 C ATOM 0 H1 PHE B 1 23.330 4.410 6.380 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.967 3.512 4.985 1.00 0.00 H new ATOM 0 H3 PHE B 1 21.909 4.732 5.508 1.00 0.00 H new ATOM 0 HA PHE B 1 22.540 2.374 7.199 1.00 0.00 H new ATOM 0 HB2 PHE B 1 19.942 3.241 7.713 1.00 0.00 H new ATOM 0 HB3 PHE B 1 21.350 3.660 8.669 1.00 0.00 H new ATOM 0 HD1 PHE B 1 19.295 4.756 5.736 1.00 0.00 H new ATOM 0 HD2 PHE B 1 22.201 5.900 8.708 1.00 0.00 H new ATOM 0 HE1 PHE B 1 19.044 7.141 5.068 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.951 8.281 8.036 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.371 8.901 6.217 1.00 0.00 H new ATOM 1648 N ARG B 2 20.299 2.672 4.785 1.00 0.00 N ATOM 1649 CA ARG B 2 19.455 1.851 3.871 1.00 0.00 C ATOM 1650 C ARG B 2 18.934 2.738 2.729 1.00 0.00 C ATOM 1651 O ARG B 2 17.798 3.170 2.722 1.00 0.00 O ATOM 1652 CB ARG B 2 18.277 1.237 4.682 1.00 0.00 C ATOM 1653 CG ARG B 2 18.385 -0.290 4.706 1.00 0.00 C ATOM 1654 CD ARG B 2 17.349 -0.854 5.675 1.00 0.00 C ATOM 1655 NE ARG B 2 17.659 -0.390 7.057 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.754 -0.475 7.994 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.562 -0.925 7.712 1.00 0.00 N ATOM 1658 NH2 ARG B 2 17.038 -0.102 9.211 1.00 0.00 N ATOM 0 H ARG B 2 20.288 3.675 4.602 1.00 0.00 H new ATOM 0 HA ARG B 2 20.041 1.040 3.438 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.287 1.625 5.701 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.327 1.534 4.237 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.222 -0.693 3.706 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.387 -0.590 5.012 1.00 0.00 H new ATOM 0 HD2 ARG B 2 16.350 -0.529 5.386 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.353 -1.943 5.636 1.00 0.00 H new ATOM 0 HE ARG B 2 18.579 -0.006 7.271 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.337 -1.211 6.759 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.855 -0.991 8.445 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.967 0.256 9.431 1.00 0.00 H new ATOM 0 HH22 ARG B 2 16.331 -0.168 9.943 1.00 0.00 H new ATOM 1672 N PHE B 3 19.764 3.013 1.757 1.00 0.00 N ATOM 1673 CA PHE B 3 19.330 3.867 0.608 1.00 0.00 C ATOM 1674 C PHE B 3 18.978 2.977 -0.587 1.00 0.00 C ATOM 1675 O PHE B 3 19.361 1.826 -0.650 1.00 0.00 O ATOM 1676 CB PHE B 3 20.477 4.804 0.216 1.00 0.00 C ATOM 1677 CG PHE B 3 20.573 5.938 1.209 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.216 5.740 2.446 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.024 7.198 0.895 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.307 6.799 3.370 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.114 8.256 1.820 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.759 8.058 3.057 1.00 0.00 C ATOM 0 H PHE B 3 20.728 2.682 1.708 1.00 0.00 H new ATOM 0 HA PHE B 3 18.456 4.451 0.898 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.416 4.252 0.188 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.310 5.199 -0.786 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.639 4.776 2.686 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.534 7.352 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.798 6.645 4.320 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.689 9.219 1.581 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.833 8.871 3.764 1.00 0.00 H new ATOM 1692 N ARG B 4 18.255 3.507 -1.538 1.00 0.00 N ATOM 1693 CA ARG B 4 17.881 2.703 -2.736 1.00 0.00 C ATOM 1694 C ARG B 4 17.729 3.649 -3.938 1.00 0.00 C ATOM 1695 O ARG B 4 18.713 4.167 -4.429 1.00 0.00 O ATOM 1696 CB ARG B 4 16.579 1.935 -2.446 1.00 0.00 C ATOM 1697 CG ARG B 4 16.496 0.669 -3.320 1.00 0.00 C ATOM 1698 CD ARG B 4 17.216 -0.494 -2.625 1.00 0.00 C ATOM 1699 NE ARG B 4 17.485 -1.587 -3.617 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.519 -2.132 -4.307 1.00 0.00 C ATOM 1701 NH1 ARG B 4 15.274 -1.859 -4.031 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.799 -2.994 -5.245 1.00 0.00 N ATOM 0 H ARG B 4 17.907 4.466 -1.536 1.00 0.00 H new ATOM 0 HA ARG B 4 18.655 1.972 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.538 1.660 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.720 2.576 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.453 0.408 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.948 0.858 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.153 -0.146 -2.189 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.606 -0.875 -1.806 1.00 0.00 H new ATOM 0 HE ARG B 4 18.442 -1.911 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.049 -1.216 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.525 -2.288 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.770 -3.241 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.047 -3.422 -5.786 1.00 0.00 H new ATOM 1716 N TYR B 5 16.525 3.898 -4.419 1.00 0.00 N ATOM 1717 CA TYR B 5 16.348 4.828 -5.586 1.00 0.00 C ATOM 1718 C TYR B 5 15.682 6.136 -5.143 1.00 0.00 C ATOM 1719 O TYR B 5 15.447 6.374 -3.974 1.00 0.00 O ATOM 1720 CB TYR B 5 15.546 4.136 -6.704 1.00 0.00 C ATOM 1721 CG TYR B 5 14.472 3.246 -6.139 1.00 0.00 C ATOM 1722 CD1 TYR B 5 13.193 3.759 -5.886 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.747 1.885 -5.900 1.00 0.00 C ATOM 1724 CE1 TYR B 5 12.185 2.915 -5.390 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.739 1.040 -5.396 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.457 1.558 -5.137 1.00 0.00 C ATOM 1727 OH TYR B 5 11.467 0.731 -4.646 1.00 0.00 O ATOM 0 H TYR B 5 15.661 3.497 -4.053 1.00 0.00 H new ATOM 0 HA TYR B 5 17.331 5.080 -5.985 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.094 4.889 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.220 3.546 -7.326 1.00 0.00 H new ATOM 0 HD1 TYR B 5 12.982 4.802 -6.072 1.00 0.00 H new ATOM 0 HD2 TYR B 5 15.731 1.489 -6.103 1.00 0.00 H new ATOM 0 HE1 TYR B 5 11.197 3.310 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR B 5 13.950 -0.003 -5.209 1.00 0.00 H new ATOM 0 HH TYR B 5 11.825 -0.174 -4.530 1.00 0.00 H new ATOM 1737 N VAL B 6 15.442 7.008 -6.085 1.00 0.00 N ATOM 1738 CA VAL B 6 14.865 8.355 -5.779 1.00 0.00 C ATOM 1739 C VAL B 6 13.439 8.290 -5.223 1.00 0.00 C ATOM 1740 O VAL B 6 12.621 7.493 -5.641 1.00 0.00 O ATOM 1741 CB VAL B 6 14.829 9.175 -7.066 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.521 10.635 -6.737 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.182 9.091 -7.765 1.00 0.00 C ATOM 0 H VAL B 6 15.624 6.842 -7.075 1.00 0.00 H new ATOM 0 HA VAL B 6 15.499 8.806 -5.016 1.00 0.00 H new ATOM 0 HB VAL B 6 14.054 8.778 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.496 11.218 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.553 10.700 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.294 11.030 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.154 9.677 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.957 9.485 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.404 8.051 -8.005 1.00 0.00 H new ATOM 1753 N CYS B 7 13.135 9.182 -4.311 1.00 0.00 N ATOM 1754 CA CYS B 7 11.762 9.264 -3.738 1.00 0.00 C ATOM 1755 C CYS B 7 11.041 10.425 -4.416 1.00 0.00 C ATOM 1756 O CYS B 7 11.175 11.564 -4.015 1.00 0.00 O ATOM 1757 CB CYS B 7 11.823 9.517 -2.223 1.00 0.00 C ATOM 1758 SG CYS B 7 13.166 8.557 -1.485 1.00 0.00 S ATOM 0 H CYS B 7 13.793 9.865 -3.936 1.00 0.00 H new ATOM 0 HA CYS B 7 11.235 8.325 -3.907 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.976 10.579 -2.030 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.874 9.243 -1.762 1.00 0.00 H new ATOM 1763 N GLU B 8 10.294 10.161 -5.453 1.00 0.00 N ATOM 1764 CA GLU B 8 9.594 11.277 -6.157 1.00 0.00 C ATOM 1765 C GLU B 8 8.276 11.611 -5.452 1.00 0.00 C ATOM 1766 O GLU B 8 7.254 11.821 -6.078 1.00 0.00 O ATOM 1767 CB GLU B 8 9.324 10.879 -7.612 1.00 0.00 C ATOM 1768 CG GLU B 8 8.893 9.413 -7.675 1.00 0.00 C ATOM 1769 CD GLU B 8 8.306 9.112 -9.056 1.00 0.00 C ATOM 1770 OE1 GLU B 8 9.081 8.845 -9.961 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.093 9.152 -9.185 1.00 0.00 O ATOM 0 H GLU B 8 10.138 9.231 -5.842 1.00 0.00 H new ATOM 0 HA GLU B 8 10.231 12.161 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.546 11.515 -8.035 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.221 11.030 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.747 8.763 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.154 9.207 -6.901 1.00 0.00 H new ATOM 1778 N GLY B 9 8.300 11.697 -4.157 1.00 0.00 N ATOM 1779 CA GLY B 9 7.065 12.057 -3.425 1.00 0.00 C ATOM 1780 C GLY B 9 6.779 13.545 -3.716 1.00 0.00 C ATOM 1781 O GLY B 9 6.792 13.925 -4.874 1.00 0.00 O ATOM 0 H GLY B 9 9.121 11.533 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.231 11.435 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.190 11.891 -2.355 1.00 0.00 H new ATOM 1785 N PRO B 10 6.567 14.365 -2.707 1.00 0.00 N ATOM 1786 CA PRO B 10 6.328 15.801 -2.939 1.00 0.00 C ATOM 1787 C PRO B 10 7.616 16.439 -3.479 1.00 0.00 C ATOM 1788 O PRO B 10 7.815 17.635 -3.395 1.00 0.00 O ATOM 1789 CB PRO B 10 5.962 16.373 -1.549 1.00 0.00 C ATOM 1790 CG PRO B 10 6.116 15.223 -0.515 1.00 0.00 C ATOM 1791 CD PRO B 10 6.526 13.955 -1.290 1.00 0.00 C ATOM 0 HA PRO B 10 5.539 15.996 -3.666 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.615 17.208 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.941 16.755 -1.548 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.869 15.477 0.231 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.180 15.060 0.019 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.497 13.587 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.809 13.149 -1.134 1.00 0.00 H new ATOM 1799 N SER B 11 8.493 15.640 -4.024 1.00 0.00 N ATOM 1800 CA SER B 11 9.774 16.169 -4.563 1.00 0.00 C ATOM 1801 C SER B 11 9.579 16.563 -6.028 1.00 0.00 C ATOM 1802 O SER B 11 9.927 17.651 -6.441 1.00 0.00 O ATOM 1803 CB SER B 11 10.850 15.080 -4.457 1.00 0.00 C ATOM 1804 OG SER B 11 12.136 15.684 -4.513 1.00 0.00 O ATOM 0 H SER B 11 8.373 14.632 -4.119 1.00 0.00 H new ATOM 0 HA SER B 11 10.086 17.044 -3.993 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.735 14.528 -3.524 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.737 14.361 -5.268 1.00 0.00 H new ATOM 0 HG SER B 11 12.826 14.991 -4.444 1.00 0.00 H new ATOM 1810 N HIS B 12 9.022 15.684 -6.814 1.00 0.00 N ATOM 1811 CA HIS B 12 8.800 16.003 -8.253 1.00 0.00 C ATOM 1812 C HIS B 12 7.705 17.066 -8.377 1.00 0.00 C ATOM 1813 O HIS B 12 7.058 17.420 -7.411 1.00 0.00 O ATOM 1814 CB HIS B 12 8.371 14.734 -8.991 1.00 0.00 C ATOM 1815 CG HIS B 12 8.409 14.976 -10.475 1.00 0.00 C ATOM 1816 ND1 HIS B 12 9.344 15.812 -11.064 1.00 0.00 N ATOM 1817 CD2 HIS B 12 7.635 14.497 -11.503 1.00 0.00 C ATOM 1818 CE1 HIS B 12 9.112 15.812 -12.390 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.081 15.025 -12.712 1.00 0.00 N ATOM 0 H HIS B 12 8.711 14.758 -6.522 1.00 0.00 H new ATOM 0 HA HIS B 12 9.723 16.384 -8.691 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.033 13.908 -8.730 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.365 14.446 -8.685 1.00 0.00 H new ATOM 0 HD2 HIS B 12 6.806 13.814 -11.391 1.00 0.00 H new ATOM 0 HE1 HIS B 12 9.689 16.379 -13.106 1.00 0.00 H new ATOM 0 HE2 HIS B 12 7.702 14.849 -13.643 1.00 0.00 H new ATOM 1827 N GLY B 13 7.491 17.575 -9.559 1.00 0.00 N ATOM 1828 CA GLY B 13 6.440 18.614 -9.746 1.00 0.00 C ATOM 1829 C GLY B 13 5.061 17.950 -9.754 1.00 0.00 C ATOM 1830 O GLY B 13 4.218 18.371 -8.979 1.00 0.00 O ATOM 1831 OXT GLY B 13 4.872 17.033 -10.535 1.00 0.00 O ATOM 0 H GLY B 13 7.999 17.316 -10.404 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.496 19.351 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.604 19.148 -10.682 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -6.825 -10.395 -1.577 1.00 0.24 O HETATM 1839 O HOH A 107 9.463 -3.692 4.696 1.00 0.40 O HETATM 1842 O HOH A 108 12.449 1.186 2.217 1.00 0.32 O HETATM 1845 O HOH A 109 -8.845 -8.622 -0.140 1.00 0.26 O HETATM 1848 O HOH A 110 -7.420 -13.001 0.661 1.00 0.21 O HETATM 1851 O HOH A 111 -12.443 -2.910 0.205 1.00 0.37 O