USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 MET CE :methyl -109:sc= -0.834 (180deg=-4.2!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -67:sc= 0.0731 USER MOD Set 2.2: A 48 GLN : amide:sc= -8.32! C(o=-14!,f=-28!) USER MOD Set 2.3: A 75 MET CE :methyl -106:sc= -5.85! (180deg=-7.67!) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0.0513 USER MOD Set 3.2: A 25 ASN : amide:sc= -0.738 K(o=-0.69,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0974 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 47:sc= 0.0668 USER MOD Single : A 5 SER OG : rot 46:sc= 0.262 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -127:sc= 0.215 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= 1.18 (180deg=-0.346) USER MOD Single : A 36 GLN : amide:sc= -0.785 X(o=-0.78,f=-0.31) USER MOD Single : A 44 GLN : amide:sc= -0.303 K(o=-0.3,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00425 X(o=-0.0042,f=0.032) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -163:sc= -3.1! (180deg=-4.07!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.06! C(o=-1.1!,f=-5.7!) USER MOD Single : A 71 MET CE :methyl -179:sc= -1.12 (180deg=-1.18) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -150:sc= -0.139 (180deg=-0.638) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00558 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.076 15.614 -11.723 1.00 0.00 N ATOM 2 CA GLY A 1 -3.258 15.855 -12.533 1.00 0.00 C ATOM 3 C GLY A 1 -4.205 14.654 -12.490 1.00 0.00 C ATOM 4 O GLY A 1 -4.084 13.794 -11.619 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.959 16.390 -11.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.183 14.715 -11.211 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.238 15.564 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.775 16.744 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.963 16.054 -13.563 1.00 0.00 H new ATOM 8 N SER A 2 -5.127 14.634 -13.442 1.00 0.00 N ATOM 9 CA SER A 2 -6.094 13.553 -13.524 1.00 0.00 C ATOM 10 C SER A 2 -6.327 13.169 -14.986 1.00 0.00 C ATOM 11 O SER A 2 -7.074 13.841 -15.697 1.00 0.00 O ATOM 12 CB SER A 2 -7.416 13.945 -12.861 1.00 0.00 C ATOM 13 OG SER A 2 -8.080 12.822 -12.288 1.00 0.00 O ATOM 0 H SER A 2 -5.224 15.349 -14.163 1.00 0.00 H new ATOM 0 HA SER A 2 -5.691 12.693 -12.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.227 14.688 -12.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.067 14.413 -13.599 1.00 0.00 H new ATOM 0 HG SER A 2 -8.918 13.114 -11.873 1.00 0.00 H new ATOM 19 N SER A 3 -5.674 12.091 -15.393 1.00 0.00 N ATOM 20 CA SER A 3 -5.801 11.610 -16.759 1.00 0.00 C ATOM 21 C SER A 3 -5.330 10.157 -16.847 1.00 0.00 C ATOM 22 O SER A 3 -4.130 9.889 -16.864 1.00 0.00 O ATOM 23 CB SER A 3 -5.004 12.486 -17.727 1.00 0.00 C ATOM 24 OG SER A 3 -5.849 13.351 -18.482 1.00 0.00 O ATOM 0 H SER A 3 -5.055 11.537 -14.801 1.00 0.00 H new ATOM 0 HA SER A 3 -6.852 11.663 -17.045 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.283 13.081 -17.167 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.435 11.851 -18.406 1.00 0.00 H new ATOM 0 HG SER A 3 -6.486 13.792 -17.882 1.00 0.00 H new ATOM 30 N GLY A 4 -6.301 9.256 -16.903 1.00 0.00 N ATOM 31 CA GLY A 4 -6.000 7.837 -16.989 1.00 0.00 C ATOM 32 C GLY A 4 -7.272 7.021 -17.230 1.00 0.00 C ATOM 33 O GLY A 4 -8.253 7.537 -17.763 1.00 0.00 O ATOM 0 H GLY A 4 -7.296 9.481 -16.890 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.291 7.660 -17.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.521 7.507 -16.067 1.00 0.00 H new ATOM 37 N SER A 5 -7.214 5.761 -16.825 1.00 0.00 N ATOM 38 CA SER A 5 -8.349 4.869 -16.989 1.00 0.00 C ATOM 39 C SER A 5 -8.141 3.599 -16.162 1.00 0.00 C ATOM 40 O SER A 5 -8.965 3.266 -15.312 1.00 0.00 O ATOM 41 CB SER A 5 -8.561 4.514 -18.462 1.00 0.00 C ATOM 42 OG SER A 5 -9.627 5.261 -19.043 1.00 0.00 O ATOM 0 H SER A 5 -6.398 5.337 -16.383 1.00 0.00 H new ATOM 0 HA SER A 5 -9.242 5.383 -16.634 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.642 4.703 -19.016 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.774 3.449 -18.551 1.00 0.00 H new ATOM 0 HG SER A 5 -9.541 6.204 -18.791 1.00 0.00 H new ATOM 48 N SER A 6 -7.034 2.925 -16.440 1.00 0.00 N ATOM 49 CA SER A 6 -6.707 1.699 -15.732 1.00 0.00 C ATOM 50 C SER A 6 -6.278 2.021 -14.299 1.00 0.00 C ATOM 51 O SER A 6 -6.241 1.136 -13.445 1.00 0.00 O ATOM 52 CB SER A 6 -5.605 0.923 -16.454 1.00 0.00 C ATOM 53 OG SER A 6 -4.764 1.780 -17.223 1.00 0.00 O ATOM 0 H SER A 6 -6.353 3.205 -17.146 1.00 0.00 H new ATOM 0 HA SER A 6 -7.598 1.071 -15.706 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.002 0.384 -15.723 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.056 0.176 -17.107 1.00 0.00 H new ATOM 0 HG SER A 6 -4.072 1.247 -17.667 1.00 0.00 H new ATOM 59 N GLY A 7 -5.966 3.290 -14.079 1.00 0.00 N ATOM 60 CA GLY A 7 -5.541 3.739 -12.765 1.00 0.00 C ATOM 61 C GLY A 7 -6.718 3.765 -11.787 1.00 0.00 C ATOM 62 O GLY A 7 -7.649 4.551 -11.952 1.00 0.00 O ATOM 0 H GLY A 7 -5.999 4.021 -14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.762 3.078 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.104 4.735 -12.841 1.00 0.00 H new ATOM 66 N TYR A 8 -6.637 2.895 -10.791 1.00 0.00 N ATOM 67 CA TYR A 8 -7.683 2.808 -9.787 1.00 0.00 C ATOM 68 C TYR A 8 -7.277 3.540 -8.506 1.00 0.00 C ATOM 69 O TYR A 8 -6.100 3.831 -8.300 1.00 0.00 O ATOM 70 CB TYR A 8 -7.848 1.319 -9.477 1.00 0.00 C ATOM 71 CG TYR A 8 -8.643 0.548 -10.534 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.018 0.477 -10.447 1.00 0.00 C ATOM 73 CD2 TYR A 8 -7.984 -0.077 -11.573 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.766 -0.248 -11.442 1.00 0.00 C ATOM 75 CE2 TYR A 8 -8.731 -0.802 -12.567 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.085 -0.852 -12.453 1.00 0.00 C ATOM 77 OH TYR A 8 -10.792 -1.537 -13.392 1.00 0.00 O ATOM 0 H TYR A 8 -5.863 2.244 -10.658 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.603 3.264 -10.152 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.861 0.867 -9.378 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.345 1.212 -8.513 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.534 0.965 -9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.907 -0.022 -11.640 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.843 -0.311 -11.387 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.227 -1.295 -13.385 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.176 -1.915 -14.054 1.00 0.00 H new ATOM 87 N SER A 9 -8.275 3.818 -7.680 1.00 0.00 N ATOM 88 CA SER A 9 -8.036 4.512 -6.425 1.00 0.00 C ATOM 89 C SER A 9 -8.467 3.631 -5.251 1.00 0.00 C ATOM 90 O SER A 9 -9.413 2.853 -5.368 1.00 0.00 O ATOM 91 CB SER A 9 -8.778 5.849 -6.385 1.00 0.00 C ATOM 92 OG SER A 9 -8.747 6.438 -5.088 1.00 0.00 O ATOM 0 H SER A 9 -9.250 3.576 -7.855 1.00 0.00 H new ATOM 0 HA SER A 9 -6.969 4.717 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.330 6.534 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.814 5.698 -6.690 1.00 0.00 H new ATOM 0 HG SER A 9 -9.230 7.291 -5.104 1.00 0.00 H new ATOM 98 N VAL A 10 -7.753 3.783 -4.145 1.00 0.00 N ATOM 99 CA VAL A 10 -8.049 3.011 -2.950 1.00 0.00 C ATOM 100 C VAL A 10 -7.557 3.775 -1.720 1.00 0.00 C ATOM 101 O VAL A 10 -6.995 4.862 -1.843 1.00 0.00 O ATOM 102 CB VAL A 10 -7.443 1.611 -3.068 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.019 0.863 -4.272 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.917 1.680 -3.144 1.00 0.00 C ATOM 0 H VAL A 10 -6.970 4.430 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.125 2.876 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.709 1.054 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.571 -0.129 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.099 0.767 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.798 1.417 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.511 0.672 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.622 2.263 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.529 2.154 -2.243 1.00 0.00 H new ATOM 114 N THR A 11 -7.784 3.175 -0.560 1.00 0.00 N ATOM 115 CA THR A 11 -7.370 3.785 0.692 1.00 0.00 C ATOM 116 C THR A 11 -6.591 2.781 1.543 1.00 0.00 C ATOM 117 O THR A 11 -7.095 1.703 1.855 1.00 0.00 O ATOM 118 CB THR A 11 -8.619 4.331 1.387 1.00 0.00 C ATOM 119 OG1 THR A 11 -8.727 5.669 0.907 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.426 4.492 2.896 1.00 0.00 C ATOM 0 H THR A 11 -8.249 2.273 -0.461 1.00 0.00 H new ATOM 0 HA THR A 11 -6.686 4.616 0.520 1.00 0.00 H new ATOM 0 HB THR A 11 -9.460 3.664 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.513 6.097 1.306 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.342 4.882 3.340 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.192 3.524 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.606 5.185 3.086 1.00 0.00 H new ATOM 128 N VAL A 12 -5.374 3.169 1.894 1.00 0.00 N ATOM 129 CA VAL A 12 -4.520 2.316 2.702 1.00 0.00 C ATOM 130 C VAL A 12 -4.780 2.599 4.183 1.00 0.00 C ATOM 131 O VAL A 12 -4.702 3.745 4.624 1.00 0.00 O ATOM 132 CB VAL A 12 -3.056 2.513 2.304 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.117 2.008 3.402 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.755 1.832 0.968 1.00 0.00 C ATOM 0 H VAL A 12 -4.959 4.063 1.633 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.752 1.266 2.525 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.883 3.582 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.082 2.160 3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.306 2.558 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.293 0.946 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.708 1.987 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.954 0.763 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.389 2.259 0.191 1.00 0.00 H new ATOM 144 N LYS A 13 -5.083 1.534 4.912 1.00 0.00 N ATOM 145 CA LYS A 13 -5.355 1.653 6.334 1.00 0.00 C ATOM 146 C LYS A 13 -4.270 0.915 7.120 1.00 0.00 C ATOM 147 O LYS A 13 -4.145 -0.304 7.018 1.00 0.00 O ATOM 148 CB LYS A 13 -6.774 1.176 6.650 1.00 0.00 C ATOM 149 CG LYS A 13 -7.662 2.345 7.081 1.00 0.00 C ATOM 150 CD LYS A 13 -9.080 1.867 7.403 1.00 0.00 C ATOM 151 CE LYS A 13 -9.119 1.132 8.744 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.273 1.587 9.551 1.00 0.00 N ATOM 0 H LYS A 13 -5.146 0.585 4.544 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.318 2.698 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.203 0.693 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.742 0.428 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.231 2.831 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.697 3.091 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.758 2.720 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.433 1.206 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.187 0.057 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.193 1.310 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.285 1.078 10.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.192 2.609 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.155 1.394 9.035 1.00 0.00 H new ATOM 166 N TRP A 14 -3.512 1.686 7.886 1.00 0.00 N ATOM 167 CA TRP A 14 -2.440 1.121 8.689 1.00 0.00 C ATOM 168 C TRP A 14 -2.596 1.641 10.119 1.00 0.00 C ATOM 169 O TRP A 14 -2.201 2.766 10.421 1.00 0.00 O ATOM 170 CB TRP A 14 -1.073 1.441 8.082 1.00 0.00 C ATOM 171 CG TRP A 14 0.084 0.661 8.709 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.198 -0.665 8.865 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.296 1.218 9.263 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.388 -1.003 9.475 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.077 0.179 9.725 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.717 2.555 9.369 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.328 0.368 10.326 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.969 2.727 9.972 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.768 1.692 10.443 1.00 0.00 C ATOM 0 H TRP A 14 -3.619 2.697 7.968 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.503 0.033 8.706 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.103 1.230 7.013 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.879 2.508 8.191 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.549 -1.380 8.552 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.704 -1.946 9.701 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.122 3.383 9.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.921 -0.462 10.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.340 3.736 10.079 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.724 1.908 10.897 1.00 0.00 H new ATOM 190 N GLY A 15 -3.174 0.798 10.962 1.00 0.00 N ATOM 191 CA GLY A 15 -3.387 1.159 12.353 1.00 0.00 C ATOM 192 C GLY A 15 -3.769 2.634 12.485 1.00 0.00 C ATOM 193 O GLY A 15 -4.649 3.117 11.773 1.00 0.00 O ATOM 0 H GLY A 15 -3.501 -0.134 10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.175 0.536 12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.481 0.962 12.926 1.00 0.00 H new ATOM 197 N LYS A 16 -3.089 3.309 13.400 1.00 0.00 N ATOM 198 CA LYS A 16 -3.347 4.720 13.634 1.00 0.00 C ATOM 199 C LYS A 16 -3.132 5.496 12.332 1.00 0.00 C ATOM 200 O LYS A 16 -3.825 6.477 12.069 1.00 0.00 O ATOM 201 CB LYS A 16 -2.502 5.233 14.802 1.00 0.00 C ATOM 202 CG LYS A 16 -3.388 5.815 15.905 1.00 0.00 C ATOM 203 CD LYS A 16 -2.779 5.566 17.286 1.00 0.00 C ATOM 204 CE LYS A 16 -2.772 6.847 18.122 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.112 6.549 19.531 1.00 0.00 N ATOM 0 H LYS A 16 -2.360 2.905 13.988 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.385 4.873 13.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.900 4.419 15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.809 5.996 14.447 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.515 6.886 15.747 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.380 5.366 15.855 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.347 4.793 17.804 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.760 5.194 17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.790 7.316 18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.488 7.560 17.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.103 7.430 20.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.059 6.122 19.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.414 5.886 19.924 1.00 0.00 H new ATOM 219 N GLU A 17 -2.168 5.027 11.553 1.00 0.00 N ATOM 220 CA GLU A 17 -1.853 5.664 10.286 1.00 0.00 C ATOM 221 C GLU A 17 -3.020 5.509 9.310 1.00 0.00 C ATOM 222 O GLU A 17 -3.579 4.422 9.172 1.00 0.00 O ATOM 223 CB GLU A 17 -0.562 5.096 9.693 1.00 0.00 C ATOM 224 CG GLU A 17 0.605 5.251 10.670 1.00 0.00 C ATOM 225 CD GLU A 17 1.633 6.253 10.141 1.00 0.00 C ATOM 226 OE1 GLU A 17 1.200 7.194 9.441 1.00 0.00 O ATOM 227 OE2 GLU A 17 2.829 6.056 10.448 1.00 0.00 O ATOM 0 H GLU A 17 -1.595 4.213 11.775 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.694 6.727 10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.701 4.042 9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.330 5.609 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.232 5.584 11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.082 4.284 10.828 1.00 0.00 H new ATOM 234 N LYS A 18 -3.354 6.612 8.656 1.00 0.00 N ATOM 235 CA LYS A 18 -4.444 6.612 7.696 1.00 0.00 C ATOM 236 C LYS A 18 -3.966 7.244 6.387 1.00 0.00 C ATOM 237 O LYS A 18 -3.251 8.244 6.401 1.00 0.00 O ATOM 238 CB LYS A 18 -5.681 7.291 8.290 1.00 0.00 C ATOM 239 CG LYS A 18 -6.830 7.318 7.279 1.00 0.00 C ATOM 240 CD LYS A 18 -8.184 7.255 7.988 1.00 0.00 C ATOM 241 CE LYS A 18 -8.819 5.871 7.836 1.00 0.00 C ATOM 242 NZ LYS A 18 -9.630 5.539 9.028 1.00 0.00 N ATOM 0 H LYS A 18 -2.888 7.512 8.772 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.748 5.591 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.995 6.761 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.432 8.309 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.771 8.227 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.735 6.477 6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.056 7.486 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.850 8.012 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.446 5.848 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.041 5.121 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.054 4.597 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.023 5.541 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.384 6.246 9.142 1.00 0.00 H new ATOM 256 N PHE A 19 -4.380 6.633 5.286 1.00 0.00 N ATOM 257 CA PHE A 19 -4.002 7.123 3.972 1.00 0.00 C ATOM 258 C PHE A 19 -5.192 7.085 3.010 1.00 0.00 C ATOM 259 O PHE A 19 -5.650 6.010 2.626 1.00 0.00 O ATOM 260 CB PHE A 19 -2.907 6.193 3.445 1.00 0.00 C ATOM 261 CG PHE A 19 -1.725 6.020 4.401 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.687 6.899 4.365 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.712 4.989 5.288 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.410 6.739 5.252 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.615 4.829 6.175 1.00 0.00 C ATOM 266 CZ PHE A 19 0.423 5.707 6.138 1.00 0.00 C ATOM 0 H PHE A 19 -4.973 5.803 5.278 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.659 8.155 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.342 5.215 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.539 6.583 2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.698 7.718 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.536 4.292 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.234 7.437 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.605 4.010 6.879 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.258 5.585 6.812 1.00 0.00 H new ATOM 276 N GLU A 20 -5.657 8.272 2.649 1.00 0.00 N ATOM 277 CA GLU A 20 -6.785 8.388 1.740 1.00 0.00 C ATOM 278 C GLU A 20 -6.387 9.194 0.501 1.00 0.00 C ATOM 279 O GLU A 20 -5.921 10.326 0.617 1.00 0.00 O ATOM 280 CB GLU A 20 -7.991 9.018 2.439 1.00 0.00 C ATOM 281 CG GLU A 20 -8.365 8.234 3.699 1.00 0.00 C ATOM 282 CD GLU A 20 -9.716 8.694 4.250 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.736 8.341 3.618 1.00 0.00 O ATOM 284 OE2 GLU A 20 -9.700 9.387 5.290 1.00 0.00 O ATOM 0 H GLU A 20 -5.274 9.161 2.969 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.074 7.386 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.764 10.051 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.840 9.042 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.405 7.169 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.594 8.368 4.458 1.00 0.00 H new ATOM 291 N GLY A 21 -6.585 8.578 -0.655 1.00 0.00 N ATOM 292 CA GLY A 21 -6.253 9.224 -1.913 1.00 0.00 C ATOM 293 C GLY A 21 -4.898 8.742 -2.436 1.00 0.00 C ATOM 294 O GLY A 21 -4.017 9.550 -2.726 1.00 0.00 O ATOM 0 H GLY A 21 -6.971 7.638 -0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.028 9.012 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.230 10.305 -1.776 1.00 0.00 H new ATOM 298 N VAL A 22 -4.775 7.427 -2.541 1.00 0.00 N ATOM 299 CA VAL A 22 -3.542 6.827 -3.024 1.00 0.00 C ATOM 300 C VAL A 22 -3.724 6.402 -4.482 1.00 0.00 C ATOM 301 O VAL A 22 -4.799 5.946 -4.870 1.00 0.00 O ATOM 302 CB VAL A 22 -3.130 5.670 -2.111 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.899 4.949 -2.662 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.885 6.160 -0.682 1.00 0.00 C ATOM 0 H VAL A 22 -5.508 6.760 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.728 7.551 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.952 4.955 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.627 4.131 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.123 4.550 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.068 5.651 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.594 5.318 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.089 6.904 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.798 6.607 -0.289 1.00 0.00 H new ATOM 314 N GLU A 23 -2.658 6.566 -5.251 1.00 0.00 N ATOM 315 CA GLU A 23 -2.686 6.205 -6.658 1.00 0.00 C ATOM 316 C GLU A 23 -2.400 4.711 -6.829 1.00 0.00 C ATOM 317 O GLU A 23 -1.443 4.190 -6.257 1.00 0.00 O ATOM 318 CB GLU A 23 -1.694 7.049 -7.461 1.00 0.00 C ATOM 319 CG GLU A 23 -0.291 6.970 -6.855 1.00 0.00 C ATOM 320 CD GLU A 23 0.781 7.103 -7.938 1.00 0.00 C ATOM 321 OE1 GLU A 23 0.802 6.225 -8.827 1.00 0.00 O ATOM 322 OE2 GLU A 23 1.557 8.079 -7.852 1.00 0.00 O ATOM 0 H GLU A 23 -1.768 6.945 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.684 6.410 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.668 6.702 -8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.027 8.087 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.165 7.760 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.169 6.021 -6.332 1.00 0.00 H new ATOM 329 N LEU A 24 -3.246 4.065 -7.617 1.00 0.00 N ATOM 330 CA LEU A 24 -3.096 2.643 -7.870 1.00 0.00 C ATOM 331 C LEU A 24 -3.363 2.361 -9.350 1.00 0.00 C ATOM 332 O LEU A 24 -4.300 2.907 -9.930 1.00 0.00 O ATOM 333 CB LEU A 24 -3.981 1.833 -6.921 1.00 0.00 C ATOM 334 CG LEU A 24 -4.380 0.437 -7.403 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.447 -0.630 -6.826 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.849 0.146 -7.085 1.00 0.00 C ATOM 0 H LEU A 24 -4.038 4.501 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.074 2.326 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.461 1.732 -5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.890 2.403 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.273 0.407 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.753 -1.613 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.424 -0.430 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.499 -0.608 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.107 -0.852 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.006 0.202 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.482 0.881 -7.582 1.00 0.00 H new ATOM 348 N ASN A 25 -2.522 1.510 -9.919 1.00 0.00 N ATOM 349 CA ASN A 25 -2.655 1.150 -11.320 1.00 0.00 C ATOM 350 C ASN A 25 -2.614 -0.374 -11.457 1.00 0.00 C ATOM 351 O ASN A 25 -1.870 -1.045 -10.743 1.00 0.00 O ATOM 352 CB ASN A 25 -1.507 1.730 -12.150 1.00 0.00 C ATOM 353 CG ASN A 25 -1.896 1.835 -13.626 1.00 0.00 C ATOM 354 OD1 ASN A 25 -3.042 1.657 -14.007 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.882 2.132 -14.433 1.00 0.00 N ATOM 0 H ASN A 25 -1.746 1.059 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.601 1.552 -11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.240 2.716 -11.769 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.624 1.099 -12.047 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.039 2.224 -15.437 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.053 2.268 -14.048 1.00 0.00 H new ATOM 362 N THR A 26 -3.423 -0.875 -12.378 1.00 0.00 N ATOM 363 CA THR A 26 -3.489 -2.307 -12.617 1.00 0.00 C ATOM 364 C THR A 26 -2.633 -2.685 -13.828 1.00 0.00 C ATOM 365 O THR A 26 -2.061 -3.773 -13.873 1.00 0.00 O ATOM 366 CB THR A 26 -4.961 -2.694 -12.769 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.499 -1.685 -13.619 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.745 -2.539 -11.464 1.00 0.00 C ATOM 0 H THR A 26 -4.039 -0.315 -12.968 1.00 0.00 H new ATOM 0 HA THR A 26 -3.076 -2.867 -11.778 1.00 0.00 H new ATOM 0 HB THR A 26 -5.031 -3.725 -13.114 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.287 -1.286 -13.195 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.784 -2.827 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.307 -3.179 -10.698 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.703 -1.500 -11.136 1.00 0.00 H new ATOM 376 N ASP A 27 -2.572 -1.765 -14.780 1.00 0.00 N ATOM 377 CA ASP A 27 -1.797 -1.989 -15.988 1.00 0.00 C ATOM 378 C ASP A 27 -0.413 -2.522 -15.609 1.00 0.00 C ATOM 379 O ASP A 27 0.235 -3.197 -16.407 1.00 0.00 O ATOM 380 CB ASP A 27 -1.604 -0.687 -16.768 1.00 0.00 C ATOM 381 CG ASP A 27 -0.901 -0.839 -18.118 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.898 -1.979 -18.631 1.00 0.00 O ATOM 383 OD2 ASP A 27 -0.381 0.188 -18.606 1.00 0.00 O ATOM 0 H ASP A 27 -3.047 -0.863 -14.739 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.338 -2.704 -16.608 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.581 -0.232 -16.933 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.030 0.006 -16.153 1.00 0.00 H new ATOM 388 N GLU A 28 -0.002 -2.198 -14.392 1.00 0.00 N ATOM 389 CA GLU A 28 1.292 -2.635 -13.898 1.00 0.00 C ATOM 390 C GLU A 28 1.113 -3.686 -12.800 1.00 0.00 C ATOM 391 O GLU A 28 -0.010 -4.073 -12.483 1.00 0.00 O ATOM 392 CB GLU A 28 2.116 -1.449 -13.392 1.00 0.00 C ATOM 393 CG GLU A 28 1.491 -0.123 -13.829 1.00 0.00 C ATOM 394 CD GLU A 28 1.451 -0.012 -15.355 1.00 0.00 C ATOM 395 OE1 GLU A 28 1.684 -1.053 -16.006 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.187 1.112 -15.835 1.00 0.00 O ATOM 0 H GLU A 28 -0.543 -1.638 -13.733 1.00 0.00 H new ATOM 0 HA GLU A 28 1.840 -3.089 -14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.181 -1.484 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.134 -1.519 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.480 -0.044 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.064 0.707 -13.415 1.00 0.00 H new ATOM 403 N PRO A 29 2.268 -4.130 -12.236 1.00 0.00 N ATOM 404 CA PRO A 29 2.250 -5.129 -11.181 1.00 0.00 C ATOM 405 C PRO A 29 1.797 -4.516 -9.854 1.00 0.00 C ATOM 406 O PRO A 29 1.668 -3.298 -9.741 1.00 0.00 O ATOM 407 CB PRO A 29 3.669 -5.673 -11.130 1.00 0.00 C ATOM 408 CG PRO A 29 4.536 -4.642 -11.832 1.00 0.00 C ATOM 409 CD PRO A 29 3.617 -3.695 -12.587 1.00 0.00 C ATOM 0 HA PRO A 29 1.537 -5.931 -11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.994 -5.820 -10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.734 -6.641 -11.626 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.138 -4.093 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.229 -5.129 -12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.788 -2.659 -12.294 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.785 -3.754 -13.662 1.00 0.00 H new ATOM 417 N PRO A 30 1.563 -5.412 -8.858 1.00 0.00 N ATOM 418 CA PRO A 30 1.127 -4.972 -7.543 1.00 0.00 C ATOM 419 C PRO A 30 2.286 -4.352 -6.760 1.00 0.00 C ATOM 420 O PRO A 30 2.077 -3.469 -5.930 1.00 0.00 O ATOM 421 CB PRO A 30 0.561 -6.217 -6.880 1.00 0.00 C ATOM 422 CG PRO A 30 1.120 -7.396 -7.659 1.00 0.00 C ATOM 423 CD PRO A 30 1.706 -6.861 -8.956 1.00 0.00 C ATOM 0 HA PRO A 30 0.375 -4.185 -7.591 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.854 -6.268 -5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.529 -6.213 -6.907 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.885 -7.910 -7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.335 -8.124 -7.866 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.751 -7.149 -9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.174 -7.254 -9.822 1.00 0.00 H new ATOM 431 N MET A 31 3.483 -4.839 -7.053 1.00 0.00 N ATOM 432 CA MET A 31 4.676 -4.344 -6.387 1.00 0.00 C ATOM 433 C MET A 31 4.681 -2.815 -6.336 1.00 0.00 C ATOM 434 O MET A 31 5.058 -2.225 -5.325 1.00 0.00 O ATOM 435 CB MET A 31 5.918 -4.834 -7.133 1.00 0.00 C ATOM 436 CG MET A 31 5.938 -6.362 -7.221 1.00 0.00 C ATOM 437 SD MET A 31 7.573 -6.974 -6.849 1.00 0.00 S ATOM 438 CE MET A 31 7.425 -7.200 -5.084 1.00 0.00 C ATOM 0 H MET A 31 3.652 -5.571 -7.743 1.00 0.00 H new ATOM 0 HA MET A 31 4.682 -4.723 -5.365 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.936 -4.408 -8.136 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.815 -4.484 -6.622 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.215 -6.784 -6.523 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.640 -6.681 -8.220 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.365 -7.581 -4.686 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.192 -6.245 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.627 -7.912 -4.874 1.00 0.00 H new ATOM 448 N VAL A 32 4.258 -2.217 -7.440 1.00 0.00 N ATOM 449 CA VAL A 32 4.208 -0.768 -7.534 1.00 0.00 C ATOM 450 C VAL A 32 3.382 -0.213 -6.372 1.00 0.00 C ATOM 451 O VAL A 32 3.902 0.516 -5.528 1.00 0.00 O ATOM 452 CB VAL A 32 3.669 -0.350 -8.904 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.502 1.168 -8.987 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.570 -0.865 -10.028 1.00 0.00 C ATOM 0 H VAL A 32 3.947 -2.710 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 32 5.210 -0.346 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 32 2.685 -0.803 -9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.118 1.439 -9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.802 1.499 -8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.467 1.649 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.164 -0.554 -10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.573 -0.455 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.616 -1.953 -9.988 1.00 0.00 H new ATOM 464 N PHE A 33 2.109 -0.579 -6.365 1.00 0.00 N ATOM 465 CA PHE A 33 1.206 -0.128 -5.320 1.00 0.00 C ATOM 466 C PHE A 33 1.807 -0.368 -3.934 1.00 0.00 C ATOM 467 O PHE A 33 1.544 0.387 -3.000 1.00 0.00 O ATOM 468 CB PHE A 33 -0.079 -0.947 -5.455 1.00 0.00 C ATOM 469 CG PHE A 33 -1.169 -0.564 -4.451 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.837 0.613 -4.588 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.470 -1.401 -3.422 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.848 0.968 -3.657 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.481 -1.046 -2.491 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.149 0.131 -2.628 1.00 0.00 C ATOM 0 H PHE A 33 1.681 -1.183 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 33 1.020 0.941 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.471 -0.826 -6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.161 -2.003 -5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.598 1.277 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.940 -2.336 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.378 1.903 -3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.720 -1.710 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.918 0.401 -1.920 1.00 0.00 H new ATOM 484 N LYS A 34 2.603 -1.424 -3.844 1.00 0.00 N ATOM 485 CA LYS A 34 3.244 -1.774 -2.588 1.00 0.00 C ATOM 486 C LYS A 34 4.515 -0.940 -2.419 1.00 0.00 C ATOM 487 O LYS A 34 4.983 -0.735 -1.300 1.00 0.00 O ATOM 488 CB LYS A 34 3.483 -3.283 -2.511 1.00 0.00 C ATOM 489 CG LYS A 34 2.159 -4.050 -2.526 1.00 0.00 C ATOM 490 CD LYS A 34 2.397 -5.558 -2.423 1.00 0.00 C ATOM 491 CE LYS A 34 1.098 -6.334 -2.647 1.00 0.00 C ATOM 492 NZ LYS A 34 1.379 -7.779 -2.807 1.00 0.00 N ATOM 0 H LYS A 34 2.818 -2.049 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 34 2.592 -1.535 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.101 -3.600 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.035 -3.521 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.534 -3.720 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.615 -3.826 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.139 -5.864 -3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.804 -5.799 -1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.425 -6.179 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.590 -5.956 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.576 -8.331 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.520 -7.996 -3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.238 -8.026 -2.276 1.00 0.00 H new ATOM 506 N ALA A 35 5.038 -0.482 -3.547 1.00 0.00 N ATOM 507 CA ALA A 35 6.246 0.325 -3.538 1.00 0.00 C ATOM 508 C ALA A 35 5.949 1.674 -2.881 1.00 0.00 C ATOM 509 O ALA A 35 6.833 2.286 -2.283 1.00 0.00 O ATOM 510 CB ALA A 35 6.770 0.476 -4.968 1.00 0.00 C ATOM 0 H ALA A 35 4.647 -0.655 -4.473 1.00 0.00 H new ATOM 0 HA ALA A 35 7.027 -0.161 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.676 1.081 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.994 -0.508 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.013 0.962 -5.583 1.00 0.00 H new ATOM 516 N GLN A 36 4.701 2.099 -3.015 1.00 0.00 N ATOM 517 CA GLN A 36 4.276 3.364 -2.441 1.00 0.00 C ATOM 518 C GLN A 36 3.999 3.203 -0.945 1.00 0.00 C ATOM 519 O GLN A 36 4.465 4.002 -0.134 1.00 0.00 O ATOM 520 CB GLN A 36 3.046 3.911 -3.170 1.00 0.00 C ATOM 521 CG GLN A 36 2.420 5.071 -2.394 1.00 0.00 C ATOM 522 CD GLN A 36 2.348 6.333 -3.257 1.00 0.00 C ATOM 523 OE1 GLN A 36 3.268 6.672 -3.983 1.00 0.00 O ATOM 524 NE2 GLN A 36 1.208 7.006 -3.137 1.00 0.00 N ATOM 0 H GLN A 36 3.971 1.590 -3.513 1.00 0.00 H new ATOM 0 HA GLN A 36 5.083 4.086 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.329 4.247 -4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.311 3.116 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.419 4.794 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.007 5.272 -1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.478 6.666 -2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.063 7.863 -3.671 1.00 0.00 H new ATOM 533 N LEU A 37 3.242 2.164 -0.624 1.00 0.00 N ATOM 534 CA LEU A 37 2.898 1.888 0.760 1.00 0.00 C ATOM 535 C LEU A 37 4.160 1.973 1.621 1.00 0.00 C ATOM 536 O LEU A 37 4.084 2.271 2.812 1.00 0.00 O ATOM 537 CB LEU A 37 2.165 0.550 0.874 1.00 0.00 C ATOM 538 CG LEU A 37 0.909 0.398 0.014 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.142 -0.457 0.725 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.355 1.765 -0.393 1.00 0.00 C ATOM 0 H LEU A 37 2.857 1.503 -1.299 1.00 0.00 H new ATOM 0 HA LEU A 37 2.203 2.639 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.861 -0.246 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.888 0.398 1.917 1.00 0.00 H new ATOM 0 HG LEU A 37 1.183 -0.125 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.025 -0.549 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.268 -1.447 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.419 0.016 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.538 1.629 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.100 2.335 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.108 2.307 -0.966 1.00 0.00 H new ATOM 552 N PHE A 38 5.291 1.705 0.985 1.00 0.00 N ATOM 553 CA PHE A 38 6.568 1.747 1.678 1.00 0.00 C ATOM 554 C PHE A 38 6.902 3.172 2.125 1.00 0.00 C ATOM 555 O PHE A 38 7.497 3.371 3.183 1.00 0.00 O ATOM 556 CB PHE A 38 7.631 1.274 0.686 1.00 0.00 C ATOM 557 CG PHE A 38 8.994 0.992 1.322 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.145 1.073 2.671 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.055 0.660 0.538 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.409 0.811 3.261 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.319 0.398 1.128 1.00 0.00 C ATOM 562 CZ PHE A 38 11.470 0.479 2.477 1.00 0.00 C ATOM 0 H PHE A 38 5.350 1.458 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 38 6.531 1.116 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.277 0.368 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.753 2.031 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.303 1.337 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.936 0.596 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.528 0.875 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.161 0.134 0.505 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.432 0.280 2.926 1.00 0.00 H new ATOM 572 N ALA A 39 6.505 4.126 1.296 1.00 0.00 N ATOM 573 CA ALA A 39 6.755 5.527 1.593 1.00 0.00 C ATOM 574 C ALA A 39 5.560 6.103 2.355 1.00 0.00 C ATOM 575 O ALA A 39 5.616 7.231 2.844 1.00 0.00 O ATOM 576 CB ALA A 39 7.036 6.282 0.292 1.00 0.00 C ATOM 0 H ALA A 39 6.012 3.957 0.419 1.00 0.00 H new ATOM 0 HA ALA A 39 7.634 5.634 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.223 7.333 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.911 5.853 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.174 6.199 -0.370 1.00 0.00 H new ATOM 582 N LEU A 40 4.506 5.304 2.432 1.00 0.00 N ATOM 583 CA LEU A 40 3.300 5.721 3.127 1.00 0.00 C ATOM 584 C LEU A 40 3.421 5.363 4.609 1.00 0.00 C ATOM 585 O LEU A 40 3.177 6.201 5.476 1.00 0.00 O ATOM 586 CB LEU A 40 2.061 5.130 2.450 1.00 0.00 C ATOM 587 CG LEU A 40 1.733 5.674 1.059 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.756 4.753 0.326 1.00 0.00 C ATOM 589 CD2 LEU A 40 1.215 7.111 1.140 1.00 0.00 C ATOM 0 H LEU A 40 4.462 4.370 2.025 1.00 0.00 H new ATOM 0 HA LEU A 40 3.181 6.803 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.193 4.051 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.201 5.302 3.097 1.00 0.00 H new ATOM 0 HG LEU A 40 2.653 5.696 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.540 5.163 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.200 3.763 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.169 4.675 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.989 7.474 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.310 7.138 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.976 7.747 1.593 1.00 0.00 H new ATOM 601 N THR A 41 3.797 4.117 4.856 1.00 0.00 N ATOM 602 CA THR A 41 3.953 3.638 6.219 1.00 0.00 C ATOM 603 C THR A 41 5.435 3.463 6.556 1.00 0.00 C ATOM 604 O THR A 41 5.938 4.078 7.496 1.00 0.00 O ATOM 605 CB THR A 41 3.142 2.349 6.363 1.00 0.00 C ATOM 606 OG1 THR A 41 3.846 1.404 5.562 1.00 0.00 O ATOM 607 CG2 THR A 41 1.766 2.446 5.701 1.00 0.00 C ATOM 0 H THR A 41 3.998 3.424 4.135 1.00 0.00 H new ATOM 0 HA THR A 41 3.571 4.362 6.939 1.00 0.00 H new ATOM 0 HB THR A 41 3.021 2.113 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.780 1.661 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.232 1.505 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.197 3.254 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.888 2.649 4.637 1.00 0.00 H new ATOM 615 N GLY A 42 6.093 2.622 5.772 1.00 0.00 N ATOM 616 CA GLY A 42 7.507 2.359 5.976 1.00 0.00 C ATOM 617 C GLY A 42 7.809 0.864 5.860 1.00 0.00 C ATOM 618 O GLY A 42 8.972 0.462 5.825 1.00 0.00 O ATOM 0 H GLY A 42 5.673 2.114 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.093 2.910 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.809 2.719 6.959 1.00 0.00 H new ATOM 622 N VAL A 43 6.743 0.080 5.803 1.00 0.00 N ATOM 623 CA VAL A 43 6.879 -1.362 5.691 1.00 0.00 C ATOM 624 C VAL A 43 7.202 -1.729 4.241 1.00 0.00 C ATOM 625 O VAL A 43 6.731 -1.075 3.312 1.00 0.00 O ATOM 626 CB VAL A 43 5.616 -2.049 6.214 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.765 -3.572 6.178 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.273 -1.565 7.624 1.00 0.00 C ATOM 0 H VAL A 43 5.781 0.416 5.832 1.00 0.00 H new ATOM 0 HA VAL A 43 7.705 -1.716 6.308 1.00 0.00 H new ATOM 0 HB VAL A 43 4.790 -1.778 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.853 -4.036 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.940 -3.896 5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.608 -3.870 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.371 -2.069 7.972 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.099 -1.793 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.104 -0.488 7.608 1.00 0.00 H new ATOM 638 N GLN A 44 8.002 -2.774 4.093 1.00 0.00 N ATOM 639 CA GLN A 44 8.393 -3.236 2.772 1.00 0.00 C ATOM 640 C GLN A 44 7.176 -3.768 2.013 1.00 0.00 C ATOM 641 O GLN A 44 6.187 -4.170 2.624 1.00 0.00 O ATOM 642 CB GLN A 44 9.489 -4.299 2.865 1.00 0.00 C ATOM 643 CG GLN A 44 10.575 -3.882 3.859 1.00 0.00 C ATOM 644 CD GLN A 44 11.897 -3.604 3.141 1.00 0.00 C ATOM 645 OE1 GLN A 44 12.154 -4.084 2.049 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.719 -2.803 3.813 1.00 0.00 N ATOM 0 H GLN A 44 8.390 -3.314 4.866 1.00 0.00 H new ATOM 0 HA GLN A 44 8.800 -2.390 2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.054 -5.249 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.932 -4.456 1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.256 -2.991 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.717 -4.669 4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.442 -2.435 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.627 -2.556 3.418 1.00 0.00 H new ATOM 655 N PRO A 45 7.291 -3.753 0.658 1.00 0.00 N ATOM 656 CA PRO A 45 6.212 -4.229 -0.190 1.00 0.00 C ATOM 657 C PRO A 45 6.139 -5.757 -0.179 1.00 0.00 C ATOM 658 O PRO A 45 5.289 -6.346 -0.845 1.00 0.00 O ATOM 659 CB PRO A 45 6.513 -3.659 -1.567 1.00 0.00 C ATOM 660 CG PRO A 45 7.984 -3.276 -1.547 1.00 0.00 C ATOM 661 CD PRO A 45 8.448 -3.284 -0.099 1.00 0.00 C ATOM 0 HA PRO A 45 5.231 -3.904 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.311 -4.394 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.886 -2.792 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.570 -3.979 -2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.128 -2.290 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.305 -3.943 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.756 -2.289 0.224 1.00 0.00 H new ATOM 669 N ALA A 46 7.041 -6.355 0.586 1.00 0.00 N ATOM 670 CA ALA A 46 7.089 -7.803 0.693 1.00 0.00 C ATOM 671 C ALA A 46 6.406 -8.238 1.991 1.00 0.00 C ATOM 672 O ALA A 46 5.788 -9.300 2.046 1.00 0.00 O ATOM 673 CB ALA A 46 8.543 -8.273 0.614 1.00 0.00 C ATOM 0 H ALA A 46 7.744 -5.863 1.137 1.00 0.00 H new ATOM 0 HA ALA A 46 6.551 -8.266 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.579 -9.359 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.974 -7.965 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.114 -7.830 1.430 1.00 0.00 H new ATOM 679 N ARG A 47 6.540 -7.394 3.004 1.00 0.00 N ATOM 680 CA ARG A 47 5.944 -7.677 4.298 1.00 0.00 C ATOM 681 C ARG A 47 4.535 -7.084 4.374 1.00 0.00 C ATOM 682 O ARG A 47 3.659 -7.639 5.036 1.00 0.00 O ATOM 683 CB ARG A 47 6.793 -7.104 5.434 1.00 0.00 C ATOM 684 CG ARG A 47 8.286 -7.267 5.138 1.00 0.00 C ATOM 685 CD ARG A 47 9.030 -7.812 6.359 1.00 0.00 C ATOM 686 NE ARG A 47 10.490 -7.781 6.117 1.00 0.00 N ATOM 687 CZ ARG A 47 11.264 -6.709 6.331 1.00 0.00 C ATOM 688 NH1 ARG A 47 10.724 -5.573 6.792 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.580 -6.773 6.083 1.00 0.00 N ATOM 0 H ARG A 47 7.053 -6.514 2.954 1.00 0.00 H new ATOM 0 HA ARG A 47 5.893 -8.760 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.559 -6.048 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.546 -7.609 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.421 -7.943 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.710 -6.306 4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.786 -7.217 7.239 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.709 -8.833 6.565 1.00 0.00 H new ATOM 0 HE ARG A 47 10.934 -8.629 5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.723 -5.524 6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.314 -4.757 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.991 -7.638 5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.170 -5.957 6.246 1.00 0.00 H new ATOM 703 N GLN A 48 4.361 -5.964 3.688 1.00 0.00 N ATOM 704 CA GLN A 48 3.074 -5.290 3.670 1.00 0.00 C ATOM 705 C GLN A 48 1.996 -6.219 3.108 1.00 0.00 C ATOM 706 O GLN A 48 1.830 -6.318 1.894 1.00 0.00 O ATOM 707 CB GLN A 48 3.149 -3.988 2.870 1.00 0.00 C ATOM 708 CG GLN A 48 3.822 -2.881 3.683 1.00 0.00 C ATOM 709 CD GLN A 48 3.967 -1.603 2.856 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.409 -0.563 3.168 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.744 -1.737 1.785 1.00 0.00 N ATOM 0 H GLN A 48 5.090 -5.506 3.141 1.00 0.00 H new ATOM 0 HA GLN A 48 2.805 -5.033 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.705 -4.156 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.145 -3.675 2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.235 -2.674 4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.804 -3.216 4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.181 -2.636 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.903 -0.941 1.167 1.00 0.00 H new ATOM 720 N LYS A 49 1.292 -6.875 4.019 1.00 0.00 N ATOM 721 CA LYS A 49 0.235 -7.792 3.629 1.00 0.00 C ATOM 722 C LYS A 49 -0.970 -6.992 3.131 1.00 0.00 C ATOM 723 O LYS A 49 -1.810 -6.568 3.924 1.00 0.00 O ATOM 724 CB LYS A 49 -0.094 -8.749 4.777 1.00 0.00 C ATOM 725 CG LYS A 49 -0.817 -9.995 4.261 1.00 0.00 C ATOM 726 CD LYS A 49 -1.712 -10.598 5.346 1.00 0.00 C ATOM 727 CE LYS A 49 -2.732 -11.564 4.741 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.727 -12.850 5.474 1.00 0.00 N ATOM 0 H LYS A 49 1.433 -6.790 5.026 1.00 0.00 H new ATOM 0 HA LYS A 49 0.563 -8.423 2.803 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.824 -9.042 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.718 -8.240 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.419 -9.736 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.086 -10.735 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.098 -11.123 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.232 -9.801 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.727 -11.121 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.499 -11.737 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.425 -13.494 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.781 -13.279 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.971 -12.682 6.471 1.00 0.00 H new ATOM 742 N VAL A 50 -1.017 -6.809 1.819 1.00 0.00 N ATOM 743 CA VAL A 50 -2.106 -6.067 1.206 1.00 0.00 C ATOM 744 C VAL A 50 -3.271 -7.018 0.925 1.00 0.00 C ATOM 745 O VAL A 50 -3.212 -7.821 -0.005 1.00 0.00 O ATOM 746 CB VAL A 50 -1.607 -5.347 -0.048 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.722 -4.513 -0.682 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.386 -4.481 0.266 1.00 0.00 C ATOM 0 H VAL A 50 -0.319 -7.162 1.164 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.472 -5.296 1.884 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.303 -6.105 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.340 -4.012 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.551 -5.164 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.070 -3.768 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.052 -3.980 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.652 -3.735 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.417 -5.110 0.650 1.00 0.00 H new ATOM 758 N MET A 51 -4.303 -6.897 1.747 1.00 0.00 N ATOM 759 CA MET A 51 -5.480 -7.736 1.599 1.00 0.00 C ATOM 760 C MET A 51 -6.418 -7.180 0.525 1.00 0.00 C ATOM 761 O MET A 51 -6.222 -6.067 0.041 1.00 0.00 O ATOM 762 CB MET A 51 -6.223 -7.814 2.934 1.00 0.00 C ATOM 763 CG MET A 51 -5.788 -9.045 3.732 1.00 0.00 C ATOM 764 SD MET A 51 -7.174 -10.147 3.958 1.00 0.00 S ATOM 765 CE MET A 51 -7.278 -10.854 2.323 1.00 0.00 C ATOM 0 H MET A 51 -4.348 -6.231 2.518 1.00 0.00 H new ATOM 0 HA MET A 51 -5.157 -8.731 1.294 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.030 -6.912 3.515 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.297 -7.853 2.755 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.983 -9.562 3.209 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.394 -8.740 4.701 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.167 -10.475 1.819 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.392 -10.580 1.751 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.339 -11.940 2.399 1.00 0.00 H new ATOM 775 N VAL A 52 -7.416 -7.982 0.184 1.00 0.00 N ATOM 776 CA VAL A 52 -8.385 -7.585 -0.823 1.00 0.00 C ATOM 777 C VAL A 52 -9.793 -7.937 -0.338 1.00 0.00 C ATOM 778 O VAL A 52 -9.961 -8.823 0.498 1.00 0.00 O ATOM 779 CB VAL A 52 -8.037 -8.229 -2.167 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.894 -7.647 -3.292 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.546 -8.077 -2.477 1.00 0.00 C ATOM 0 H VAL A 52 -7.574 -8.905 0.588 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.355 -6.506 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.257 -9.294 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.627 -8.122 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.947 -7.830 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.720 -6.573 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.325 -8.543 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.289 -7.019 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.961 -8.561 -1.695 1.00 0.00 H new ATOM 791 N LYS A 53 -10.767 -7.224 -0.884 1.00 0.00 N ATOM 792 CA LYS A 53 -12.155 -7.451 -0.518 1.00 0.00 C ATOM 793 C LYS A 53 -12.361 -8.935 -0.207 1.00 0.00 C ATOM 794 O LYS A 53 -13.049 -9.283 0.751 1.00 0.00 O ATOM 795 CB LYS A 53 -13.090 -6.914 -1.603 1.00 0.00 C ATOM 796 CG LYS A 53 -12.973 -5.393 -1.725 1.00 0.00 C ATOM 797 CD LYS A 53 -14.165 -4.697 -1.063 1.00 0.00 C ATOM 798 CE LYS A 53 -13.726 -3.925 0.183 1.00 0.00 C ATOM 799 NZ LYS A 53 -14.841 -3.102 0.702 1.00 0.00 N ATOM 0 H LYS A 53 -10.623 -6.489 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.405 -6.898 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.848 -7.379 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.119 -7.185 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.047 -5.057 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.921 -5.112 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.632 -4.014 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.917 -5.437 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.393 -4.622 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.876 -3.286 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.526 -2.585 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.141 -2.424 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.641 -3.718 0.951 1.00 0.00 H new ATOM 813 N GLY A 54 -11.752 -9.770 -1.037 1.00 0.00 N ATOM 814 CA GLY A 54 -11.859 -11.208 -0.863 1.00 0.00 C ATOM 815 C GLY A 54 -10.681 -11.930 -1.520 1.00 0.00 C ATOM 816 O GLY A 54 -10.867 -12.941 -2.196 1.00 0.00 O ATOM 0 H GLY A 54 -11.183 -9.478 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.890 -11.448 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.794 -11.562 -1.297 1.00 0.00 H new ATOM 820 N GLY A 55 -9.495 -11.381 -1.300 1.00 0.00 N ATOM 821 CA GLY A 55 -8.287 -11.960 -1.863 1.00 0.00 C ATOM 822 C GLY A 55 -7.043 -11.221 -1.367 1.00 0.00 C ATOM 823 O GLY A 55 -7.137 -10.348 -0.505 1.00 0.00 O ATOM 0 H GLY A 55 -9.345 -10.542 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.222 -13.013 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.331 -11.916 -2.951 1.00 0.00 H new ATOM 827 N THR A 56 -5.905 -11.598 -1.931 1.00 0.00 N ATOM 828 CA THR A 56 -4.644 -10.982 -1.557 1.00 0.00 C ATOM 829 C THR A 56 -3.936 -10.422 -2.793 1.00 0.00 C ATOM 830 O THR A 56 -3.987 -11.021 -3.866 1.00 0.00 O ATOM 831 CB THR A 56 -3.815 -12.023 -0.802 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.646 -12.403 0.291 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.578 -11.416 -0.136 1.00 0.00 C ATOM 0 H THR A 56 -5.830 -12.323 -2.645 1.00 0.00 H new ATOM 0 HA THR A 56 -4.801 -10.129 -0.897 1.00 0.00 H new ATOM 0 HB THR A 56 -3.507 -12.810 -1.491 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.186 -13.078 0.833 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.025 -12.197 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.939 -10.966 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.887 -10.652 0.577 1.00 0.00 H new ATOM 841 N LEU A 57 -3.294 -9.280 -2.600 1.00 0.00 N ATOM 842 CA LEU A 57 -2.577 -8.632 -3.686 1.00 0.00 C ATOM 843 C LEU A 57 -1.430 -9.534 -4.144 1.00 0.00 C ATOM 844 O LEU A 57 -0.602 -9.951 -3.335 1.00 0.00 O ATOM 845 CB LEU A 57 -2.128 -7.230 -3.270 1.00 0.00 C ATOM 846 CG LEU A 57 -2.619 -6.079 -4.152 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.811 -4.806 -3.893 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.603 -6.477 -5.630 1.00 0.00 C ATOM 0 H LEU A 57 -3.255 -8.786 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.234 -8.490 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.466 -7.049 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.038 -7.209 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.654 -5.863 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.180 -4.004 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.916 -4.514 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.760 -4.991 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.956 -5.642 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.586 -6.736 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.255 -7.337 -5.782 1.00 0.00 H new ATOM 860 N LYS A 58 -1.417 -9.810 -5.440 1.00 0.00 N ATOM 861 CA LYS A 58 -0.384 -10.655 -6.015 1.00 0.00 C ATOM 862 C LYS A 58 0.961 -9.930 -5.944 1.00 0.00 C ATOM 863 O LYS A 58 1.076 -8.890 -5.296 1.00 0.00 O ATOM 864 CB LYS A 58 -0.774 -11.090 -7.429 1.00 0.00 C ATOM 865 CG LYS A 58 -1.600 -12.378 -7.398 1.00 0.00 C ATOM 866 CD LYS A 58 -0.695 -13.610 -7.456 1.00 0.00 C ATOM 867 CE LYS A 58 -1.453 -14.822 -8.001 1.00 0.00 C ATOM 868 NZ LYS A 58 -1.005 -16.061 -7.327 1.00 0.00 N ATOM 0 H LYS A 58 -2.105 -9.463 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.281 -11.575 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.346 -10.298 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.124 -11.244 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.202 -12.407 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.292 -12.391 -8.240 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.168 -13.402 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.314 -13.833 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.524 -14.686 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.291 -14.907 -9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.530 -16.873 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.013 -16.198 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.183 -15.984 -6.305 1.00 0.00 H new ATOM 882 N ASP A 59 1.945 -10.507 -6.618 1.00 0.00 N ATOM 883 CA ASP A 59 3.277 -9.929 -6.639 1.00 0.00 C ATOM 884 C ASP A 59 3.574 -9.392 -8.041 1.00 0.00 C ATOM 885 O ASP A 59 4.325 -8.431 -8.196 1.00 0.00 O ATOM 886 CB ASP A 59 4.338 -10.977 -6.301 1.00 0.00 C ATOM 887 CG ASP A 59 3.935 -12.424 -6.595 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.077 -12.604 -7.485 1.00 0.00 O ATOM 889 OD2 ASP A 59 4.494 -13.317 -5.922 1.00 0.00 O ATOM 0 H ASP A 59 1.846 -11.369 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 59 3.309 -9.131 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.245 -10.747 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.586 -10.893 -5.243 1.00 0.00 H new ATOM 894 N ASP A 60 2.967 -10.037 -9.027 1.00 0.00 N ATOM 895 CA ASP A 60 3.157 -9.637 -10.411 1.00 0.00 C ATOM 896 C ASP A 60 2.143 -10.370 -11.293 1.00 0.00 C ATOM 897 O ASP A 60 2.456 -11.408 -11.872 1.00 0.00 O ATOM 898 CB ASP A 60 4.560 -9.999 -10.902 1.00 0.00 C ATOM 899 CG ASP A 60 5.667 -9.039 -10.463 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.415 -7.816 -10.526 1.00 0.00 O ATOM 901 OD2 ASP A 60 6.739 -9.549 -10.073 1.00 0.00 O ATOM 0 H ASP A 60 2.344 -10.833 -8.895 1.00 0.00 H new ATOM 0 HA ASP A 60 3.022 -8.557 -10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.806 -11.000 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.548 -10.042 -11.991 1.00 0.00 H new ATOM 906 N ASP A 61 0.949 -9.800 -11.366 1.00 0.00 N ATOM 907 CA ASP A 61 -0.112 -10.386 -12.167 1.00 0.00 C ATOM 908 C ASP A 61 -1.467 -9.919 -11.631 1.00 0.00 C ATOM 909 O ASP A 61 -2.443 -9.852 -12.376 1.00 0.00 O ATOM 910 CB ASP A 61 -0.076 -11.914 -12.096 1.00 0.00 C ATOM 911 CG ASP A 61 0.537 -12.604 -13.316 1.00 0.00 C ATOM 912 OD1 ASP A 61 1.309 -11.923 -14.025 1.00 0.00 O ATOM 913 OD2 ASP A 61 0.219 -13.797 -13.513 1.00 0.00 O ATOM 0 H ASP A 61 0.693 -8.939 -10.884 1.00 0.00 H new ATOM 0 HA ASP A 61 0.032 -10.070 -13.200 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.487 -12.208 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.094 -12.281 -11.963 1.00 0.00 H new ATOM 918 N TRP A 62 -1.482 -9.609 -10.343 1.00 0.00 N ATOM 919 CA TRP A 62 -2.701 -9.151 -9.699 1.00 0.00 C ATOM 920 C TRP A 62 -3.682 -10.324 -9.653 1.00 0.00 C ATOM 921 O TRP A 62 -4.070 -10.772 -8.575 1.00 0.00 O ATOM 922 CB TRP A 62 -3.271 -7.923 -10.413 1.00 0.00 C ATOM 923 CG TRP A 62 -2.646 -6.599 -9.968 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.570 -5.983 -10.477 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.106 -5.748 -8.898 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.304 -4.802 -9.815 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.268 -4.654 -8.824 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.194 -5.898 -8.020 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.430 -3.626 -7.889 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.343 -4.861 -7.091 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.507 -3.753 -7.004 1.00 0.00 C ATOM 0 H TRP A 62 -0.670 -9.666 -9.728 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.498 -8.826 -8.678 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.125 -8.039 -11.487 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.346 -7.882 -10.240 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.985 -6.363 -11.301 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.540 -4.156 -10.016 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.862 -6.746 -8.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.760 -2.780 -7.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.165 -4.926 -6.393 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.688 -2.994 -6.257 1.00 0.00 H new ATOM 942 N GLY A 63 -4.054 -10.790 -10.837 1.00 0.00 N ATOM 943 CA GLY A 63 -4.982 -11.902 -10.945 1.00 0.00 C ATOM 944 C GLY A 63 -6.396 -11.409 -11.256 1.00 0.00 C ATOM 945 O GLY A 63 -6.629 -10.205 -11.359 1.00 0.00 O ATOM 0 H GLY A 63 -3.729 -10.417 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.650 -12.582 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.987 -12.468 -10.013 1.00 0.00 H new ATOM 949 N ASN A 64 -7.304 -12.363 -11.397 1.00 0.00 N ATOM 950 CA ASN A 64 -8.690 -12.041 -11.694 1.00 0.00 C ATOM 951 C ASN A 64 -9.331 -11.389 -10.467 1.00 0.00 C ATOM 952 O ASN A 64 -10.305 -11.907 -9.923 1.00 0.00 O ATOM 953 CB ASN A 64 -9.488 -13.301 -12.032 1.00 0.00 C ATOM 954 CG ASN A 64 -10.609 -12.990 -13.027 1.00 0.00 C ATOM 955 OD1 ASN A 64 -11.604 -12.363 -12.704 1.00 0.00 O ATOM 956 ND2 ASN A 64 -10.391 -13.461 -14.251 1.00 0.00 N ATOM 0 H ASN A 64 -7.107 -13.360 -11.311 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.704 -11.366 -12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.823 -14.055 -12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.912 -13.722 -11.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.079 -13.305 -14.988 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.536 -13.978 -14.454 1.00 0.00 H new ATOM 963 N ILE A 65 -8.759 -10.263 -10.067 1.00 0.00 N ATOM 964 CA ILE A 65 -9.263 -9.536 -8.914 1.00 0.00 C ATOM 965 C ILE A 65 -10.117 -8.360 -9.392 1.00 0.00 C ATOM 966 O ILE A 65 -9.723 -7.631 -10.301 1.00 0.00 O ATOM 967 CB ILE A 65 -8.111 -9.126 -7.994 1.00 0.00 C ATOM 968 CG1 ILE A 65 -7.390 -10.354 -7.437 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.602 -8.195 -6.883 1.00 0.00 C ATOM 970 CD1 ILE A 65 -6.262 -9.944 -6.487 1.00 0.00 C ATOM 0 H ILE A 65 -7.951 -9.836 -10.521 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.909 -10.176 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.384 -8.568 -8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.101 -10.990 -6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.983 -10.944 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.764 -7.918 -6.243 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.033 -7.297 -7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -9.359 -8.706 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.766 -10.836 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.540 -9.329 -7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.676 -9.375 -5.655 1.00 0.00 H new ATOM 982 N LYS A 66 -11.272 -8.213 -8.759 1.00 0.00 N ATOM 983 CA LYS A 66 -12.185 -7.138 -9.108 1.00 0.00 C ATOM 984 C LYS A 66 -11.800 -5.876 -8.334 1.00 0.00 C ATOM 985 O LYS A 66 -11.999 -5.802 -7.122 1.00 0.00 O ATOM 986 CB LYS A 66 -13.635 -7.576 -8.890 1.00 0.00 C ATOM 987 CG LYS A 66 -14.548 -6.365 -8.684 1.00 0.00 C ATOM 988 CD LYS A 66 -15.858 -6.528 -9.458 1.00 0.00 C ATOM 989 CE LYS A 66 -17.040 -5.982 -8.655 1.00 0.00 C ATOM 990 NZ LYS A 66 -17.610 -4.788 -9.318 1.00 0.00 N ATOM 0 H LYS A 66 -11.596 -8.821 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.105 -6.898 -10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.978 -8.152 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.694 -8.232 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.762 -6.243 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.037 -5.460 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.789 -6.005 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.023 -7.582 -9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.806 -6.751 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.715 -5.725 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -18.411 -4.430 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.881 -4.050 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.939 -5.044 -10.271 1.00 0.00 H new ATOM 1004 N MET A 67 -11.257 -4.914 -9.065 1.00 0.00 N ATOM 1005 CA MET A 67 -10.843 -3.659 -8.462 1.00 0.00 C ATOM 1006 C MET A 67 -11.911 -2.580 -8.653 1.00 0.00 C ATOM 1007 O MET A 67 -12.786 -2.713 -9.506 1.00 0.00 O ATOM 1008 CB MET A 67 -9.530 -3.196 -9.097 1.00 0.00 C ATOM 1009 CG MET A 67 -8.458 -4.283 -8.994 1.00 0.00 C ATOM 1010 SD MET A 67 -7.976 -4.506 -7.290 1.00 0.00 S ATOM 1011 CE MET A 67 -6.974 -3.048 -7.058 1.00 0.00 C ATOM 0 H MET A 67 -11.094 -4.979 -10.070 1.00 0.00 H new ATOM 0 HA MET A 67 -10.703 -3.820 -7.393 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.697 -2.943 -10.144 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.182 -2.289 -8.602 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.839 -5.221 -9.398 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.590 -4.007 -9.593 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.355 -3.170 -6.169 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.335 -2.903 -7.929 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.620 -2.179 -6.934 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.803 -1.536 -7.844 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.749 -0.435 -7.913 1.00 0.00 C ATOM 1023 C LYS A 68 -12.159 0.784 -7.201 1.00 0.00 C ATOM 1024 O LYS A 68 -11.291 0.645 -6.340 1.00 0.00 O ATOM 1025 CB LYS A 68 -14.112 -0.865 -7.368 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.002 -1.321 -5.912 1.00 0.00 C ATOM 1027 CD LYS A 68 -13.758 -2.829 -5.826 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.056 -3.608 -6.048 1.00 0.00 C ATOM 1029 NZ LYS A 68 -15.781 -3.782 -4.769 1.00 0.00 N ATOM 0 H LYS A 68 -11.075 -1.429 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.923 -0.146 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.815 -0.035 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.512 -1.676 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.187 -0.789 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.917 -1.066 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.020 -3.125 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.342 -3.079 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.687 -3.079 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.833 -4.583 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.659 -4.313 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.183 -4.307 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.011 -2.849 -4.371 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.653 1.951 -7.587 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.185 3.193 -6.997 1.00 0.00 C ATOM 1045 C ASN A 69 -13.111 3.585 -5.843 1.00 0.00 C ATOM 1046 O ASN A 69 -14.268 3.938 -6.064 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.199 4.330 -8.021 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.785 3.826 -9.405 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -12.290 2.836 -9.910 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -10.841 4.559 -9.988 1.00 0.00 N ATOM 0 H ASN A 69 -13.373 2.062 -8.301 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.165 3.036 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.197 4.766 -8.072 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.521 5.121 -7.700 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.497 4.304 -10.914 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.461 5.376 -9.509 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.567 3.509 -4.638 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.329 3.851 -3.449 1.00 0.00 C ATOM 1059 C GLY A 70 -13.099 2.827 -2.336 1.00 0.00 C ATOM 1060 O GLY A 70 -13.138 3.169 -1.155 1.00 0.00 O ATOM 0 H GLY A 70 -11.607 3.215 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.040 4.843 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.390 3.895 -3.693 1.00 0.00 H new ATOM 1064 N MET A 71 -12.864 1.591 -2.752 1.00 0.00 N ATOM 1065 CA MET A 71 -12.627 0.515 -1.805 1.00 0.00 C ATOM 1066 C MET A 71 -11.500 0.876 -0.836 1.00 0.00 C ATOM 1067 O MET A 71 -10.828 1.892 -1.009 1.00 0.00 O ATOM 1068 CB MET A 71 -12.259 -0.761 -2.564 1.00 0.00 C ATOM 1069 CG MET A 71 -10.996 -0.555 -3.403 1.00 0.00 C ATOM 1070 SD MET A 71 -10.889 -1.814 -4.664 1.00 0.00 S ATOM 1071 CE MET A 71 -10.897 -3.278 -3.641 1.00 0.00 C ATOM 0 H MET A 71 -12.833 1.311 -3.732 1.00 0.00 H new ATOM 0 HA MET A 71 -13.539 0.356 -1.229 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.102 -1.576 -1.858 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.086 -1.055 -3.211 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.013 0.433 -3.864 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.114 -0.593 -2.763 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.817 -4.163 -4.272 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.052 -3.246 -2.953 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.826 -3.320 -3.073 1.00 0.00 H new ATOM 1081 N THR A 72 -11.327 0.024 0.164 1.00 0.00 N ATOM 1082 CA THR A 72 -10.292 0.241 1.161 1.00 0.00 C ATOM 1083 C THR A 72 -9.270 -0.897 1.125 1.00 0.00 C ATOM 1084 O THR A 72 -9.637 -2.061 0.971 1.00 0.00 O ATOM 1085 CB THR A 72 -10.973 0.402 2.522 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.270 1.794 2.598 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.014 0.162 3.689 1.00 0.00 C ATOM 0 H THR A 72 -11.886 -0.818 0.305 1.00 0.00 H new ATOM 0 HA THR A 72 -9.728 1.150 0.954 1.00 0.00 H new ATOM 0 HB THR A 72 -11.811 -0.291 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.715 1.987 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.548 0.289 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.617 -0.851 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.193 0.877 3.638 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.008 -0.521 1.270 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.930 -1.495 1.256 1.00 0.00 C ATOM 1097 C VAL A 73 -6.407 -1.692 2.681 1.00 0.00 C ATOM 1098 O VAL A 73 -6.052 -0.725 3.354 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.842 -1.057 0.275 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.567 -1.883 0.465 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.339 -1.142 -1.170 1.00 0.00 C ATOM 0 H VAL A 73 -7.708 0.445 1.398 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.293 -2.462 0.907 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.601 -0.015 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.809 -1.551 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.195 -1.750 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.787 -2.937 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.546 -0.825 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.621 -2.170 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.205 -0.492 -1.296 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.376 -2.949 3.098 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.903 -3.284 4.430 1.00 0.00 C ATOM 1113 C LEU A 74 -4.413 -3.627 4.365 1.00 0.00 C ATOM 1114 O LEU A 74 -3.998 -4.459 3.561 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.763 -4.392 5.041 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.837 -4.417 6.570 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.480 -4.774 7.179 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.380 -3.093 7.114 1.00 0.00 C ATOM 0 H LEU A 74 -6.671 -3.748 2.537 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.005 -2.428 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.776 -4.296 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.379 -5.353 4.700 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.537 -5.198 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.561 -4.785 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.172 -5.759 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.740 -4.033 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.423 -3.137 8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.724 -2.278 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.381 -2.920 6.718 1.00 0.00 H new ATOM 1130 N MET A 75 -3.649 -2.968 5.224 1.00 0.00 N ATOM 1131 CA MET A 75 -2.214 -3.192 5.275 1.00 0.00 C ATOM 1132 C MET A 75 -1.789 -3.713 6.649 1.00 0.00 C ATOM 1133 O MET A 75 -2.145 -3.133 7.674 1.00 0.00 O ATOM 1134 CB MET A 75 -1.482 -1.883 4.975 1.00 0.00 C ATOM 1135 CG MET A 75 -0.230 -2.135 4.132 1.00 0.00 C ATOM 1136 SD MET A 75 0.786 -0.668 4.093 1.00 0.00 S ATOM 1137 CE MET A 75 1.822 -0.971 5.515 1.00 0.00 C ATOM 0 H MET A 75 -3.997 -2.279 5.890 1.00 0.00 H new ATOM 0 HA MET A 75 -1.955 -3.942 4.528 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.149 -1.202 4.447 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.204 -1.396 5.909 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.336 -2.968 4.547 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.515 -2.417 3.118 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.515 -0.321 6.334 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.723 -2.012 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.861 -0.765 5.258 1.00 0.00 H new ATOM 1147 N MET A 76 -1.033 -4.800 6.627 1.00 0.00 N ATOM 1148 CA MET A 76 -0.555 -5.405 7.858 1.00 0.00 C ATOM 1149 C MET A 76 0.953 -5.653 7.798 1.00 0.00 C ATOM 1150 O MET A 76 1.460 -6.182 6.810 1.00 0.00 O ATOM 1151 CB MET A 76 -1.282 -6.732 8.091 1.00 0.00 C ATOM 1152 CG MET A 76 -2.668 -6.499 8.696 1.00 0.00 C ATOM 1153 SD MET A 76 -2.625 -6.802 10.454 1.00 0.00 S ATOM 1154 CE MET A 76 -2.431 -8.576 10.458 1.00 0.00 C ATOM 0 H MET A 76 -0.739 -5.278 5.775 1.00 0.00 H new ATOM 0 HA MET A 76 -0.759 -4.719 8.680 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.379 -7.268 7.147 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.692 -7.362 8.757 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.991 -5.476 8.503 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.396 -7.158 8.223 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.898 -8.991 11.351 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.907 -8.996 9.572 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.370 -8.826 10.453 1.00 0.00 H new ATOM 1164 N GLY A 77 1.628 -5.260 8.868 1.00 0.00 N ATOM 1165 CA GLY A 77 3.069 -5.433 8.950 1.00 0.00 C ATOM 1166 C GLY A 77 3.683 -4.451 9.950 1.00 0.00 C ATOM 1167 O GLY A 77 3.019 -3.517 10.396 1.00 0.00 O ATOM 0 H GLY A 77 1.204 -4.822 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.300 -6.455 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.514 -5.282 7.966 1.00 0.00 H new ATOM 1171 N SER A 78 4.945 -4.696 10.272 1.00 0.00 N ATOM 1172 CA SER A 78 5.656 -3.845 11.211 1.00 0.00 C ATOM 1173 C SER A 78 7.093 -3.626 10.733 1.00 0.00 C ATOM 1174 O SER A 78 7.862 -4.578 10.610 1.00 0.00 O ATOM 1175 CB SER A 78 5.650 -4.450 12.616 1.00 0.00 C ATOM 1176 OG SER A 78 4.354 -4.415 13.207 1.00 0.00 O ATOM 0 H SER A 78 5.493 -5.471 9.899 1.00 0.00 H new ATOM 0 HA SER A 78 5.144 -2.884 11.257 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.999 -5.482 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.351 -3.906 13.248 1.00 0.00 H new ATOM 0 HG SER A 78 4.392 -4.812 14.102 1.00 0.00 H new ATOM 1182 N ALA A 79 7.412 -2.366 10.477 1.00 0.00 N ATOM 1183 CA ALA A 79 8.743 -2.010 10.016 1.00 0.00 C ATOM 1184 C ALA A 79 9.758 -2.309 11.121 1.00 0.00 C ATOM 1185 O ALA A 79 10.152 -1.414 11.866 1.00 0.00 O ATOM 1186 CB ALA A 79 8.760 -0.540 9.591 1.00 0.00 C ATOM 0 H ALA A 79 6.772 -1.579 10.580 1.00 0.00 H new ATOM 0 HA ALA A 79 9.019 -2.605 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.759 -0.273 9.245 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.043 -0.386 8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.490 0.087 10.440 1.00 0.00 H new ATOM 1192 N ASP A 80 10.153 -3.572 11.192 1.00 0.00 N ATOM 1193 CA ASP A 80 11.114 -4.001 12.193 1.00 0.00 C ATOM 1194 C ASP A 80 12.419 -3.224 12.006 1.00 0.00 C ATOM 1195 O ASP A 80 13.144 -3.446 11.038 1.00 0.00 O ATOM 1196 CB ASP A 80 11.427 -5.492 12.053 1.00 0.00 C ATOM 1197 CG ASP A 80 10.217 -6.420 12.168 1.00 0.00 C ATOM 1198 OD1 ASP A 80 9.869 -6.759 13.320 1.00 0.00 O ATOM 1199 OD2 ASP A 80 9.667 -6.770 11.102 1.00 0.00 O ATOM 0 H ASP A 80 9.824 -4.312 10.572 1.00 0.00 H new ATOM 0 HA ASP A 80 10.683 -3.814 13.177 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.903 -5.659 11.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.152 -5.769 12.818 1.00 0.00 H new ATOM 1204 N ALA A 81 12.679 -2.330 12.949 1.00 0.00 N ATOM 1205 CA ALA A 81 13.884 -1.520 12.901 1.00 0.00 C ATOM 1206 C ALA A 81 14.129 -1.065 11.461 1.00 0.00 C ATOM 1207 O ALA A 81 15.039 -1.559 10.797 1.00 0.00 O ATOM 1208 CB ALA A 81 15.059 -2.318 13.469 1.00 0.00 C ATOM 0 H ALA A 81 12.075 -2.149 13.751 1.00 0.00 H new ATOM 0 HA ALA A 81 13.771 -0.626 13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.963 -1.710 13.433 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.847 -2.592 14.502 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.205 -3.221 12.877 1.00 0.00 H new ATOM 1214 N LEU A 82 13.302 -0.128 11.020 1.00 0.00 N ATOM 1215 CA LEU A 82 13.418 0.399 9.671 1.00 0.00 C ATOM 1216 C LEU A 82 13.424 1.928 9.724 1.00 0.00 C ATOM 1217 O LEU A 82 12.492 2.538 10.246 1.00 0.00 O ATOM 1218 CB LEU A 82 12.324 -0.182 8.773 1.00 0.00 C ATOM 1219 CG LEU A 82 12.707 -1.422 7.964 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.464 -2.209 7.545 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.580 -1.046 6.765 1.00 0.00 C ATOM 0 H LEU A 82 12.549 0.280 11.574 1.00 0.00 H new ATOM 0 HA LEU A 82 14.363 0.092 9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.465 -0.430 9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.001 0.594 8.079 1.00 0.00 H new ATOM 0 HG LEU A 82 13.301 -2.076 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.765 -3.086 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.918 -2.527 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.822 -1.576 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.838 -1.946 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.033 -0.361 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.492 -0.563 7.116 1.00 0.00 H new ATOM 1233 N PRO A 83 14.512 2.518 9.163 1.00 0.00 N ATOM 1234 CA PRO A 83 14.651 3.965 9.141 1.00 0.00 C ATOM 1235 C PRO A 83 13.729 4.589 8.092 1.00 0.00 C ATOM 1236 O PRO A 83 14.198 5.156 7.107 1.00 0.00 O ATOM 1237 CB PRO A 83 16.124 4.214 8.861 1.00 0.00 C ATOM 1238 CG PRO A 83 16.663 2.918 8.277 1.00 0.00 C ATOM 1239 CD PRO A 83 15.635 1.828 8.536 1.00 0.00 C ATOM 0 HA PRO A 83 14.353 4.431 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 83 16.254 5.041 8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.655 4.481 9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.843 3.027 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.617 2.660 8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.333 1.341 7.609 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.037 1.052 9.188 1.00 0.00 H new ATOM 1247 N GLU A 84 12.433 4.463 8.341 1.00 0.00 N ATOM 1248 CA GLU A 84 11.441 5.008 7.430 1.00 0.00 C ATOM 1249 C GLU A 84 10.148 5.327 8.183 1.00 0.00 C ATOM 1250 O GLU A 84 9.341 4.437 8.444 1.00 0.00 O ATOM 1251 CB GLU A 84 11.176 4.047 6.269 1.00 0.00 C ATOM 1252 CG GLU A 84 12.008 4.426 5.043 1.00 0.00 C ATOM 1253 CD GLU A 84 12.940 3.282 4.638 1.00 0.00 C ATOM 1254 OE1 GLU A 84 13.594 2.733 5.551 1.00 0.00 O ATOM 1255 OE2 GLU A 84 12.977 2.982 3.425 1.00 0.00 O ATOM 0 H GLU A 84 12.048 3.992 9.160 1.00 0.00 H new ATOM 0 HA GLU A 84 11.832 5.934 7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.415 3.028 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.117 4.063 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.347 4.673 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.595 5.319 5.259 1.00 0.00 H new ATOM 1262 N GLU A 85 9.991 6.601 8.512 1.00 0.00 N ATOM 1263 CA GLU A 85 8.810 7.050 9.230 1.00 0.00 C ATOM 1264 C GLU A 85 8.384 8.434 8.739 1.00 0.00 C ATOM 1265 O GLU A 85 9.216 9.221 8.290 1.00 0.00 O ATOM 1266 CB GLU A 85 9.056 7.055 10.740 1.00 0.00 C ATOM 1267 CG GLU A 85 8.348 5.879 11.415 1.00 0.00 C ATOM 1268 CD GLU A 85 7.728 6.304 12.748 1.00 0.00 C ATOM 1269 OE1 GLU A 85 8.513 6.501 13.701 1.00 0.00 O ATOM 1270 OE2 GLU A 85 6.485 6.422 12.783 1.00 0.00 O ATOM 0 H GLU A 85 10.663 7.337 8.294 1.00 0.00 H new ATOM 0 HA GLU A 85 7.999 6.350 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.127 7.002 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.699 7.992 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.571 5.491 10.756 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.059 5.069 11.582 1.00 0.00 H new ATOM 1277 N PRO A 86 7.054 8.697 8.843 1.00 0.00 N ATOM 1278 CA PRO A 86 6.507 9.973 8.415 1.00 0.00 C ATOM 1279 C PRO A 86 6.839 11.077 9.421 1.00 0.00 C ATOM 1280 O PRO A 86 7.601 10.857 10.361 1.00 0.00 O ATOM 1281 CB PRO A 86 5.013 9.732 8.269 1.00 0.00 C ATOM 1282 CG PRO A 86 4.715 8.471 9.063 1.00 0.00 C ATOM 1283 CD PRO A 86 6.039 7.789 9.370 1.00 0.00 C ATOM 0 HA PRO A 86 6.935 10.320 7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.442 10.578 8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.738 9.608 7.222 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.189 8.716 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.066 7.806 8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.165 7.633 10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.099 6.809 8.896 1.00 0.00 H new ATOM 1291 N SER A 87 6.251 12.242 9.188 1.00 0.00 N ATOM 1292 CA SER A 87 6.475 13.381 10.062 1.00 0.00 C ATOM 1293 C SER A 87 5.175 14.168 10.239 1.00 0.00 C ATOM 1294 O SER A 87 4.979 15.201 9.599 1.00 0.00 O ATOM 1295 CB SER A 87 7.576 14.289 9.512 1.00 0.00 C ATOM 1296 OG SER A 87 8.693 14.369 10.393 1.00 0.00 O ATOM 0 H SER A 87 5.620 12.421 8.407 1.00 0.00 H new ATOM 0 HA SER A 87 6.801 13.009 11.033 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.905 13.913 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.173 15.288 9.347 1.00 0.00 H new ATOM 0 HG SER A 87 9.374 14.957 10.005 1.00 0.00 H new ATOM 1302 N ALA A 88 4.321 13.651 11.110 1.00 0.00 N ATOM 1303 CA ALA A 88 3.046 14.294 11.378 1.00 0.00 C ATOM 1304 C ALA A 88 2.229 14.357 10.086 1.00 0.00 C ATOM 1305 O ALA A 88 2.787 14.296 8.991 1.00 0.00 O ATOM 1306 CB ALA A 88 3.288 15.678 11.983 1.00 0.00 C ATOM 0 H ALA A 88 4.487 12.795 11.639 1.00 0.00 H new ATOM 0 HA ALA A 88 2.472 13.718 12.103 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.331 16.160 12.184 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.845 15.576 12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.860 16.286 11.283 1.00 0.00 H new ATOM 1312 N LYS A 89 0.921 14.479 10.255 1.00 0.00 N ATOM 1313 CA LYS A 89 0.022 14.552 9.116 1.00 0.00 C ATOM 1314 C LYS A 89 -0.948 15.719 9.311 1.00 0.00 C ATOM 1315 O LYS A 89 -0.957 16.354 10.364 1.00 0.00 O ATOM 1316 CB LYS A 89 -0.671 13.206 8.894 1.00 0.00 C ATOM 1317 CG LYS A 89 -1.611 12.875 10.055 1.00 0.00 C ATOM 1318 CD LYS A 89 -3.062 12.787 9.577 1.00 0.00 C ATOM 1319 CE LYS A 89 -4.019 12.617 10.759 1.00 0.00 C ATOM 1320 NZ LYS A 89 -4.499 13.936 11.230 1.00 0.00 N ATOM 0 H LYS A 89 0.462 14.529 11.164 1.00 0.00 H new ATOM 0 HA LYS A 89 0.581 14.751 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.235 13.233 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.077 12.420 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.316 11.929 10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.524 13.639 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.321 13.688 9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.172 11.947 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.867 11.999 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.514 12.096 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.147 13.803 12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.688 14.513 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.999 14.420 10.457 1.00 0.00 H new ATOM 1334 N THR A 90 -1.741 15.965 8.278 1.00 0.00 N ATOM 1335 CA THR A 90 -2.713 17.044 8.323 1.00 0.00 C ATOM 1336 C THR A 90 -3.842 16.787 7.323 1.00 0.00 C ATOM 1337 O THR A 90 -3.641 16.115 6.313 1.00 0.00 O ATOM 1338 CB THR A 90 -1.971 18.359 8.075 1.00 0.00 C ATOM 1339 OG1 THR A 90 -2.979 19.358 8.211 1.00 0.00 O ATOM 1340 CG2 THR A 90 -1.499 18.501 6.627 1.00 0.00 C ATOM 0 H THR A 90 -1.730 15.436 7.406 1.00 0.00 H new ATOM 0 HA THR A 90 -3.193 17.103 9.300 1.00 0.00 H new ATOM 0 HB THR A 90 -1.113 18.423 8.744 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.584 20.243 8.067 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.979 19.451 6.505 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.822 17.683 6.383 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.360 18.471 5.959 1.00 0.00 H new ATOM 1348 N SER A 91 -5.007 17.334 7.640 1.00 0.00 N ATOM 1349 CA SER A 91 -6.168 17.172 6.782 1.00 0.00 C ATOM 1350 C SER A 91 -7.332 18.012 7.312 1.00 0.00 C ATOM 1351 O SER A 91 -7.720 17.879 8.472 1.00 0.00 O ATOM 1352 CB SER A 91 -6.578 15.701 6.682 1.00 0.00 C ATOM 1353 OG SER A 91 -7.321 15.433 5.496 1.00 0.00 O ATOM 0 H SER A 91 -5.171 17.890 8.479 1.00 0.00 H new ATOM 0 HA SER A 91 -5.905 17.517 5.782 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.686 15.074 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.176 15.431 7.553 1.00 0.00 H new ATOM 0 HG SER A 91 -7.562 14.484 5.469 1.00 0.00 H new ATOM 1359 N GLY A 92 -7.855 18.859 6.438 1.00 0.00 N ATOM 1360 CA GLY A 92 -8.966 19.721 6.804 1.00 0.00 C ATOM 1361 C GLY A 92 -9.957 19.859 5.646 1.00 0.00 C ATOM 1362 O GLY A 92 -9.753 20.671 4.744 1.00 0.00 O ATOM 0 H GLY A 92 -7.530 18.967 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.476 19.313 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.590 20.705 7.085 1.00 0.00 H new ATOM 1366 N PRO A 93 -11.035 19.034 5.710 1.00 0.00 N ATOM 1367 CA PRO A 93 -12.058 19.056 4.678 1.00 0.00 C ATOM 1368 C PRO A 93 -12.951 20.291 4.818 1.00 0.00 C ATOM 1369 O PRO A 93 -13.846 20.509 4.004 1.00 0.00 O ATOM 1370 CB PRO A 93 -12.818 17.751 4.849 1.00 0.00 C ATOM 1371 CG PRO A 93 -12.497 17.262 6.252 1.00 0.00 C ATOM 1372 CD PRO A 93 -11.309 18.060 6.764 1.00 0.00 C ATOM 0 HA PRO A 93 -11.641 19.129 3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.890 17.904 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.512 17.020 4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.357 17.394 6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.265 16.197 6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.540 18.553 7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.447 17.417 6.943 1.00 0.00 H new ATOM 1380 N SER A 94 -12.676 21.065 5.858 1.00 0.00 N ATOM 1381 CA SER A 94 -13.444 22.272 6.115 1.00 0.00 C ATOM 1382 C SER A 94 -13.694 23.023 4.805 1.00 0.00 C ATOM 1383 O SER A 94 -14.828 23.390 4.503 1.00 0.00 O ATOM 1384 CB SER A 94 -12.726 23.178 7.117 1.00 0.00 C ATOM 1385 OG SER A 94 -12.580 22.556 8.390 1.00 0.00 O ATOM 0 H SER A 94 -11.933 20.880 6.532 1.00 0.00 H new ATOM 0 HA SER A 94 -14.401 21.982 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.743 23.442 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.284 24.108 7.230 1.00 0.00 H new ATOM 0 HG SER A 94 -12.116 23.166 9.001 1.00 0.00 H new ATOM 1391 N SER A 95 -12.615 23.228 4.063 1.00 0.00 N ATOM 1392 CA SER A 95 -12.703 23.928 2.793 1.00 0.00 C ATOM 1393 C SER A 95 -13.965 23.495 2.043 1.00 0.00 C ATOM 1394 O SER A 95 -14.156 22.310 1.774 1.00 0.00 O ATOM 1395 CB SER A 95 -11.462 23.672 1.936 1.00 0.00 C ATOM 1396 OG SER A 95 -10.306 24.317 2.463 1.00 0.00 O ATOM 0 H SER A 95 -11.676 22.922 4.317 1.00 0.00 H new ATOM 0 HA SER A 95 -12.757 24.998 2.995 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.281 22.599 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.643 24.026 0.921 1.00 0.00 H new ATOM 0 HG SER A 95 -9.535 24.128 1.888 1.00 0.00 H new ATOM 1402 N GLY A 96 -14.794 24.480 1.727 1.00 0.00 N ATOM 1403 CA GLY A 96 -16.032 24.215 1.013 1.00 0.00 C ATOM 1404 C GLY A 96 -16.568 25.488 0.355 1.00 0.00 C ATOM 1405 O GLY A 96 -17.183 26.322 1.018 1.00 0.00 O ATOM 0 H GLY A 96 -14.633 25.462 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.862 23.452 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.776 23.817 1.703 1.00 0.00 H new TER 1409 GLY A 96