USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 87 HIS : no HD1:sc= -1.82 K(o=-4.9,f=-2.3) USER MOD Set 1.2: A 90 GLN : amide:sc= -3.06 K(o=-4.9,f=-6.5!) USER MOD Set 2.1: A 39 GLN : amide:sc= -2.26 K(o=-4.1,f=-9.8!) USER MOD Set 2.2: A 89 MET CE :methyl -141:sc= -1.85 (180deg=-2.44) USER MOD Set 3.1: A 28 SER OG : rot 90:sc= -1.39 USER MOD Set 3.2: A 66 MET CE :methyl -156:sc= -4.9 (180deg=-7.56!) USER MOD Single : A 1 SER N :NH3+ -140:sc= 0.0988 (180deg=0) USER MOD Single : A 1 SER OG : rot 54:sc= 0.215 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.187) USER MOD Single : A 5 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 7 SER OG : rot -88:sc= -1.4 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 15 ASN : amide:sc= -0.0114 K(o=-0.011,f=-3.9!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 21 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.011) USER MOD Single : A 31 SER OG : rot -160:sc= -0.666 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0714 USER MOD Single : A 41 THR OG1 : rot -22:sc= 0.113 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 46 SER OG : rot 110:sc= -0.281 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -105:sc= 0.855 USER MOD Single : A 56 GLN : amide:sc= -1.99! K(o=-2!,f=-1.4) USER MOD Single : A 64 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 69 GLN : amide:sc= -3.96! C(o=-4!,f=-8.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -4.56 K(o=-4.6,f=-12!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 93:sc= -0.197! USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00789 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0692 K(o=-0.069,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.836 22.821 -3.842 1.00 0.00 N ATOM 2 CA SER A 1 3.757 23.978 -3.696 1.00 0.00 C ATOM 3 C SER A 1 4.986 23.819 -4.584 1.00 0.00 C ATOM 4 O SER A 1 6.037 23.364 -4.132 1.00 0.00 O ATOM 5 CB SER A 1 4.176 24.084 -2.228 1.00 0.00 C ATOM 6 OG SER A 1 4.572 22.823 -1.717 1.00 0.00 O ATOM 0 H1 SER A 1 1.852 23.159 -3.846 1.00 0.00 H new ATOM 0 H2 SER A 1 3.037 22.328 -4.735 1.00 0.00 H new ATOM 0 H3 SER A 1 2.973 22.165 -3.046 1.00 0.00 H new ATOM 0 HA SER A 1 3.243 24.887 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.998 24.793 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.347 24.475 -1.638 1.00 0.00 H new ATOM 0 HG SER A 1 5.261 22.437 -2.297 1.00 0.00 H new ATOM 14 N GLY A 2 4.846 24.196 -5.851 1.00 0.00 N ATOM 15 CA GLY A 2 5.951 24.085 -6.784 1.00 0.00 C ATOM 16 C GLY A 2 5.860 22.841 -7.645 1.00 0.00 C ATOM 17 O GLY A 2 6.418 22.794 -8.741 1.00 0.00 O ATOM 0 H GLY A 2 3.987 24.576 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.971 24.966 -7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.890 24.072 -6.231 1.00 0.00 H new ATOM 21 N PHE A 3 5.155 21.830 -7.146 1.00 0.00 N ATOM 22 CA PHE A 3 4.991 20.580 -7.878 1.00 0.00 C ATOM 23 C PHE A 3 3.575 20.037 -7.718 1.00 0.00 C ATOM 24 O PHE A 3 2.794 20.542 -6.912 1.00 0.00 O ATOM 25 CB PHE A 3 6.006 19.543 -7.392 1.00 0.00 C ATOM 26 CG PHE A 3 6.130 19.474 -5.896 1.00 0.00 C ATOM 27 CD1 PHE A 3 6.907 20.393 -5.209 1.00 0.00 C ATOM 28 CD2 PHE A 3 5.472 18.488 -5.178 1.00 0.00 C ATOM 29 CE1 PHE A 3 7.024 20.332 -3.833 1.00 0.00 C ATOM 30 CE2 PHE A 3 5.585 18.422 -3.803 1.00 0.00 C ATOM 31 CZ PHE A 3 6.362 19.344 -3.129 1.00 0.00 C ATOM 0 H PHE A 3 4.689 21.852 -6.239 1.00 0.00 H new ATOM 0 HA PHE A 3 5.166 20.781 -8.935 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.719 18.562 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.982 19.775 -7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 3 7.427 21.166 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.864 17.763 -5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 3 7.632 21.055 -3.309 1.00 0.00 H new ATOM 0 HE2 PHE A 3 5.066 17.650 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 3 6.452 19.293 -2.054 1.00 0.00 H new ATOM 41 N LYS A 4 3.251 19.007 -8.492 1.00 0.00 N ATOM 42 CA LYS A 4 1.927 18.398 -8.437 1.00 0.00 C ATOM 43 C LYS A 4 1.868 17.317 -7.363 1.00 0.00 C ATOM 44 O LYS A 4 2.515 16.276 -7.480 1.00 0.00 O ATOM 45 CB LYS A 4 1.560 17.800 -9.797 1.00 0.00 C ATOM 46 CG LYS A 4 0.495 18.590 -10.541 1.00 0.00 C ATOM 47 CD LYS A 4 -0.831 17.852 -10.572 1.00 0.00 C ATOM 48 CE LYS A 4 -0.741 16.563 -11.374 1.00 0.00 C ATOM 49 NZ LYS A 4 -1.880 15.648 -11.085 1.00 0.00 N ATOM 0 H LYS A 4 3.886 18.577 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 4 1.208 19.177 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.457 17.744 -10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.208 16.778 -9.653 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.361 19.560 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.829 18.781 -11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.145 17.625 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.596 18.497 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.725 16.798 -12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.197 16.058 -11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.653 14.693 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.049 15.617 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.734 15.994 -11.566 1.00 0.00 H new ATOM 63 N HIS A 5 1.086 17.569 -6.318 1.00 0.00 N ATOM 64 CA HIS A 5 0.935 16.613 -5.227 1.00 0.00 C ATOM 65 C HIS A 5 -0.357 15.816 -5.383 1.00 0.00 C ATOM 66 O HIS A 5 -1.453 16.363 -5.260 1.00 0.00 O ATOM 67 CB HIS A 5 0.944 17.339 -3.880 1.00 0.00 C ATOM 68 CG HIS A 5 1.251 16.446 -2.718 1.00 0.00 C ATOM 69 ND1 HIS A 5 2.429 16.518 -2.004 1.00 0.00 N ATOM 70 CD2 HIS A 5 0.526 15.456 -2.144 1.00 0.00 C ATOM 71 CE1 HIS A 5 2.415 15.612 -1.042 1.00 0.00 C ATOM 72 NE2 HIS A 5 1.272 14.955 -1.107 1.00 0.00 N ATOM 0 H HIS A 5 0.547 18.427 -6.204 1.00 0.00 H new ATOM 0 HA HIS A 5 1.776 15.920 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.681 18.142 -3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.028 17.805 -3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.456 15.123 -2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.204 15.439 -0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.989 14.197 -0.486 1.00 0.00 H new ATOM 81 N VAL A 6 -0.219 14.524 -5.663 1.00 0.00 N ATOM 82 CA VAL A 6 -1.374 13.655 -5.853 1.00 0.00 C ATOM 83 C VAL A 6 -1.672 12.844 -4.596 1.00 0.00 C ATOM 84 O VAL A 6 -0.760 12.355 -3.930 1.00 0.00 O ATOM 85 CB VAL A 6 -1.158 12.687 -7.031 1.00 0.00 C ATOM 86 CG1 VAL A 6 -2.439 11.930 -7.345 1.00 0.00 C ATOM 87 CG2 VAL A 6 -0.658 13.440 -8.255 1.00 0.00 C ATOM 0 H VAL A 6 0.682 14.056 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.222 14.304 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.398 11.960 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.265 11.251 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.747 11.357 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.224 12.638 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.511 12.740 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.392 14.192 -8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.288 13.928 -8.020 1.00 0.00 H new ATOM 97 N SER A 7 -2.956 12.698 -4.284 1.00 0.00 N ATOM 98 CA SER A 7 -3.378 11.936 -3.115 1.00 0.00 C ATOM 99 C SER A 7 -2.790 12.523 -1.837 1.00 0.00 C ATOM 100 O SER A 7 -2.104 13.545 -1.868 1.00 0.00 O ATOM 101 CB SER A 7 -2.956 10.474 -3.256 1.00 0.00 C ATOM 102 OG SER A 7 -3.539 9.884 -4.404 1.00 0.00 O ATOM 0 H SER A 7 -3.722 13.098 -4.825 1.00 0.00 H new ATOM 0 HA SER A 7 -4.465 11.992 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.870 10.410 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.254 9.919 -2.367 1.00 0.00 H new ATOM 0 HG SER A 7 -4.417 9.515 -4.172 1.00 0.00 H new ATOM 108 N HIS A 8 -3.062 11.868 -0.712 1.00 0.00 N ATOM 109 CA HIS A 8 -2.561 12.327 0.577 1.00 0.00 C ATOM 110 C HIS A 8 -2.353 11.161 1.536 1.00 0.00 C ATOM 111 O HIS A 8 -3.123 10.975 2.478 1.00 0.00 O ATOM 112 CB HIS A 8 -3.531 13.338 1.190 1.00 0.00 C ATOM 113 CG HIS A 8 -2.851 14.420 1.970 1.00 0.00 C ATOM 114 ND1 HIS A 8 -2.640 14.347 3.331 1.00 0.00 N ATOM 115 CD2 HIS A 8 -2.330 15.605 1.574 1.00 0.00 C ATOM 116 CE1 HIS A 8 -2.020 15.441 3.738 1.00 0.00 C ATOM 117 NE2 HIS A 8 -1.821 16.219 2.691 1.00 0.00 N ATOM 0 H HIS A 8 -3.626 11.019 -0.668 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.597 12.807 0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.122 13.791 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.227 12.812 1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.317 15.995 0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.726 15.661 4.754 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.363 17.130 2.709 1.00 0.00 H new ATOM 126 N VAL A 9 -1.299 10.387 1.299 1.00 0.00 N ATOM 127 CA VAL A 9 -0.981 9.248 2.156 1.00 0.00 C ATOM 128 C VAL A 9 -0.430 9.726 3.496 1.00 0.00 C ATOM 129 O VAL A 9 -0.690 9.125 4.538 1.00 0.00 O ATOM 130 CB VAL A 9 0.045 8.295 1.503 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.122 6.883 2.044 1.00 0.00 C ATOM 132 CG2 VAL A 9 -0.081 8.306 -0.015 1.00 0.00 C ATOM 0 H VAL A 9 -0.652 10.526 0.523 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.911 8.699 2.307 1.00 0.00 H new ATOM 0 HB VAL A 9 1.044 8.650 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.608 6.224 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.034 6.886 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.128 6.526 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.654 7.626 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.083 7.985 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.096 9.315 -0.387 1.00 0.00 H new ATOM 142 N GLY A 10 0.330 10.817 3.456 1.00 0.00 N ATOM 143 CA GLY A 10 0.901 11.379 4.668 1.00 0.00 C ATOM 144 C GLY A 10 1.531 10.334 5.568 1.00 0.00 C ATOM 145 O GLY A 10 1.417 10.411 6.791 1.00 0.00 O ATOM 0 H GLY A 10 0.561 11.324 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.654 12.119 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.122 11.904 5.221 1.00 0.00 H new ATOM 149 N TRP A 11 2.212 9.363 4.967 1.00 0.00 N ATOM 150 CA TRP A 11 2.863 8.307 5.733 1.00 0.00 C ATOM 151 C TRP A 11 4.288 8.724 6.106 1.00 0.00 C ATOM 152 O TRP A 11 4.900 9.546 5.426 1.00 0.00 O ATOM 153 CB TRP A 11 2.838 6.974 4.949 1.00 0.00 C ATOM 154 CG TRP A 11 4.125 6.585 4.266 1.00 0.00 C ATOM 155 CD1 TRP A 11 4.760 5.380 4.367 1.00 0.00 C ATOM 156 CD2 TRP A 11 4.935 7.392 3.398 1.00 0.00 C ATOM 157 NE1 TRP A 11 5.908 5.384 3.614 1.00 0.00 N ATOM 158 CE2 TRP A 11 6.038 6.606 3.010 1.00 0.00 C ATOM 159 CE3 TRP A 11 4.834 8.696 2.904 1.00 0.00 C ATOM 160 CZ2 TRP A 11 7.031 7.082 2.158 1.00 0.00 C ATOM 161 CZ3 TRP A 11 5.824 9.168 2.061 1.00 0.00 C ATOM 162 CH2 TRP A 11 6.908 8.362 1.694 1.00 0.00 C ATOM 0 H TRP A 11 2.327 9.286 3.956 1.00 0.00 H new ATOM 0 HA TRP A 11 2.313 8.148 6.660 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.559 6.176 5.637 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.053 7.033 4.195 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.410 4.544 4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.558 4.604 3.520 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.998 9.324 3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.869 6.462 1.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.759 10.176 1.679 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.662 8.759 1.031 1.00 0.00 H new ATOM 173 N ASP A 12 4.800 8.176 7.201 1.00 0.00 N ATOM 174 CA ASP A 12 6.152 8.496 7.639 1.00 0.00 C ATOM 175 C ASP A 12 7.160 7.537 7.010 1.00 0.00 C ATOM 176 O ASP A 12 6.894 6.342 6.879 1.00 0.00 O ATOM 177 CB ASP A 12 6.253 8.434 9.165 1.00 0.00 C ATOM 178 CG ASP A 12 5.008 8.958 9.854 1.00 0.00 C ATOM 179 OD1 ASP A 12 4.454 9.975 9.387 1.00 0.00 O ATOM 180 OD2 ASP A 12 4.589 8.352 10.863 1.00 0.00 O ATOM 0 H ASP A 12 4.304 7.513 7.797 1.00 0.00 H new ATOM 0 HA ASP A 12 6.383 9.511 7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.427 7.403 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.116 9.014 9.492 1.00 0.00 H new ATOM 185 N PRO A 13 8.330 8.052 6.596 1.00 0.00 N ATOM 186 CA PRO A 13 9.371 7.240 5.964 1.00 0.00 C ATOM 187 C PRO A 13 10.163 6.417 6.975 1.00 0.00 C ATOM 188 O PRO A 13 10.682 5.350 6.650 1.00 0.00 O ATOM 189 CB PRO A 13 10.270 8.283 5.303 1.00 0.00 C ATOM 190 CG PRO A 13 10.128 9.498 6.154 1.00 0.00 C ATOM 191 CD PRO A 13 8.727 9.469 6.708 1.00 0.00 C ATOM 0 HA PRO A 13 8.956 6.509 5.271 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.306 7.946 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.960 8.480 4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.864 9.497 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.296 10.403 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.699 9.811 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.059 10.117 6.140 1.00 0.00 H new ATOM 199 N GLN A 14 10.254 6.923 8.200 1.00 0.00 N ATOM 200 CA GLN A 14 10.988 6.236 9.256 1.00 0.00 C ATOM 201 C GLN A 14 10.043 5.439 10.148 1.00 0.00 C ATOM 202 O GLN A 14 10.365 4.332 10.578 1.00 0.00 O ATOM 203 CB GLN A 14 11.772 7.243 10.098 1.00 0.00 C ATOM 204 CG GLN A 14 12.865 7.959 9.323 1.00 0.00 C ATOM 205 CD GLN A 14 13.939 7.014 8.820 1.00 0.00 C ATOM 206 OE1 GLN A 14 14.675 6.417 9.606 1.00 0.00 O ATOM 207 NE2 GLN A 14 14.034 6.875 7.503 1.00 0.00 N ATOM 0 H GLN A 14 9.829 7.805 8.486 1.00 0.00 H new ATOM 0 HA GLN A 14 11.685 5.543 8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.081 7.982 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.219 6.725 10.947 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.421 8.482 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.322 8.715 9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.403 7.390 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.738 6.254 7.105 1.00 0.00 H new ATOM 216 N ASN A 15 8.875 6.010 10.424 1.00 0.00 N ATOM 217 CA ASN A 15 7.883 5.352 11.265 1.00 0.00 C ATOM 218 C ASN A 15 6.978 4.445 10.437 1.00 0.00 C ATOM 219 O ASN A 15 6.360 3.521 10.967 1.00 0.00 O ATOM 220 CB ASN A 15 7.041 6.393 12.004 1.00 0.00 C ATOM 221 CG ASN A 15 7.871 7.559 12.505 1.00 0.00 C ATOM 222 OD1 ASN A 15 7.993 8.583 11.832 1.00 0.00 O ATOM 223 ND2 ASN A 15 8.445 7.410 13.693 1.00 0.00 N ATOM 0 H ASN A 15 8.593 6.927 10.077 1.00 0.00 H new ATOM 0 HA ASN A 15 8.413 4.737 11.993 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.262 6.765 11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.540 5.918 12.848 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.014 8.162 14.082 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.317 6.544 14.216 1.00 0.00 H new ATOM 230 N GLY A 16 6.905 4.710 9.136 1.00 0.00 N ATOM 231 CA GLY A 16 6.066 3.911 8.263 1.00 0.00 C ATOM 232 C GLY A 16 4.704 4.537 8.048 1.00 0.00 C ATOM 233 O GLY A 16 4.593 5.750 7.873 1.00 0.00 O ATOM 0 H GLY A 16 7.412 5.464 8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.562 3.785 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.943 2.916 8.691 1.00 0.00 H new ATOM 237 N PHE A 17 3.664 3.712 8.068 1.00 0.00 N ATOM 238 CA PHE A 17 2.304 4.202 7.883 1.00 0.00 C ATOM 239 C PHE A 17 1.748 4.757 9.188 1.00 0.00 C ATOM 240 O PHE A 17 2.480 4.940 10.161 1.00 0.00 O ATOM 241 CB PHE A 17 1.398 3.082 7.368 1.00 0.00 C ATOM 242 CG PHE A 17 0.928 3.289 5.957 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.116 4.158 5.681 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.528 2.613 4.906 1.00 0.00 C ATOM 245 CE1 PHE A 17 -0.551 4.350 4.384 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.096 2.800 3.607 1.00 0.00 C ATOM 247 CZ PHE A 17 0.055 3.670 3.345 1.00 0.00 C ATOM 0 H PHE A 17 3.736 2.704 8.210 1.00 0.00 H new ATOM 0 HA PHE A 17 2.331 5.004 7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.935 2.135 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.530 2.998 8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.595 4.691 6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.343 1.932 5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.364 5.031 4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.572 2.267 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.284 3.818 2.330 1.00 0.00 H new ATOM 257 N ASP A 18 0.448 5.024 9.200 1.00 0.00 N ATOM 258 CA ASP A 18 -0.215 5.549 10.386 1.00 0.00 C ATOM 259 C ASP A 18 -1.375 4.649 10.791 1.00 0.00 C ATOM 260 O ASP A 18 -2.511 5.104 10.922 1.00 0.00 O ATOM 261 CB ASP A 18 -0.721 6.970 10.127 1.00 0.00 C ATOM 262 CG ASP A 18 -0.586 7.866 11.342 1.00 0.00 C ATOM 263 OD1 ASP A 18 -0.302 7.341 12.439 1.00 0.00 O ATOM 264 OD2 ASP A 18 -0.765 9.093 11.197 1.00 0.00 O ATOM 0 H ASP A 18 -0.169 4.885 8.400 1.00 0.00 H new ATOM 0 HA ASP A 18 0.509 5.575 11.201 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.165 7.404 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.767 6.930 9.824 1.00 0.00 H new ATOM 269 N VAL A 19 -1.084 3.363 10.970 1.00 0.00 N ATOM 270 CA VAL A 19 -2.103 2.384 11.339 1.00 0.00 C ATOM 271 C VAL A 19 -2.991 2.895 12.470 1.00 0.00 C ATOM 272 O VAL A 19 -4.147 2.492 12.593 1.00 0.00 O ATOM 273 CB VAL A 19 -1.470 1.045 11.760 1.00 0.00 C ATOM 274 CG1 VAL A 19 -1.163 0.197 10.534 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.214 1.281 12.585 1.00 0.00 C ATOM 0 H VAL A 19 -0.147 2.973 10.865 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.716 2.226 10.452 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.184 0.504 12.381 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.716 -0.747 10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.086 -0.002 9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.467 0.731 9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.218 0.322 12.872 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.510 1.842 11.994 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.468 1.848 13.481 1.00 0.00 H new ATOM 285 N ASN A 20 -2.449 3.790 13.288 1.00 0.00 N ATOM 286 CA ASN A 20 -3.198 4.354 14.405 1.00 0.00 C ATOM 287 C ASN A 20 -4.325 5.256 13.909 1.00 0.00 C ATOM 288 O ASN A 20 -5.310 5.476 14.614 1.00 0.00 O ATOM 289 CB ASN A 20 -2.264 5.147 15.323 1.00 0.00 C ATOM 290 CG ASN A 20 -1.562 4.265 16.336 1.00 0.00 C ATOM 291 OD1 ASN A 20 -2.202 3.519 17.077 1.00 0.00 O ATOM 292 ND2 ASN A 20 -0.237 4.348 16.374 1.00 0.00 N ATOM 0 H ASN A 20 -1.495 4.140 13.199 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.638 3.529 14.966 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.519 5.665 14.719 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.837 5.912 15.847 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.291 3.779 17.036 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.253 4.980 15.741 1.00 0.00 H new ATOM 299 N ASN A 21 -4.173 5.782 12.696 1.00 0.00 N ATOM 300 CA ASN A 21 -5.176 6.670 12.119 1.00 0.00 C ATOM 301 C ASN A 21 -5.479 6.309 10.666 1.00 0.00 C ATOM 302 O ASN A 21 -5.919 7.156 9.889 1.00 0.00 O ATOM 303 CB ASN A 21 -4.703 8.123 12.203 1.00 0.00 C ATOM 304 CG ASN A 21 -4.529 8.594 13.629 1.00 0.00 C ATOM 305 OD1 ASN A 21 -3.442 9.007 14.032 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.603 8.537 14.399 1.00 0.00 N ATOM 0 H ASN A 21 -3.367 5.609 12.096 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.094 6.550 12.695 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.756 8.225 11.672 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.423 8.766 11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.551 8.843 15.371 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.483 8.187 14.021 1.00 0.00 H new ATOM 313 N LEU A 22 -5.253 5.049 10.303 1.00 0.00 N ATOM 314 CA LEU A 22 -5.523 4.590 8.943 1.00 0.00 C ATOM 315 C LEU A 22 -7.021 4.532 8.669 1.00 0.00 C ATOM 316 O LEU A 22 -7.832 4.483 9.594 1.00 0.00 O ATOM 317 CB LEU A 22 -4.899 3.216 8.693 1.00 0.00 C ATOM 318 CG LEU A 22 -3.411 3.233 8.346 1.00 0.00 C ATOM 319 CD1 LEU A 22 -2.913 1.823 8.072 1.00 0.00 C ATOM 320 CD2 LEU A 22 -3.154 4.133 7.146 1.00 0.00 C ATOM 0 H LEU A 22 -4.886 4.331 10.928 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.071 5.311 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.042 2.602 9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.440 2.731 7.881 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.862 3.632 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.851 1.853 7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.063 1.206 8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.467 1.398 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.089 4.133 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.713 3.763 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.475 5.149 7.378 1.00 0.00 H new ATOM 332 N ASP A 23 -7.378 4.545 7.389 1.00 0.00 N ATOM 333 CA ASP A 23 -8.778 4.495 6.985 1.00 0.00 C ATOM 334 C ASP A 23 -9.279 3.052 6.950 1.00 0.00 C ATOM 335 O ASP A 23 -8.578 2.155 6.483 1.00 0.00 O ATOM 336 CB ASP A 23 -8.953 5.141 5.610 1.00 0.00 C ATOM 337 CG ASP A 23 -10.389 5.544 5.337 1.00 0.00 C ATOM 338 OD1 ASP A 23 -10.812 6.607 5.838 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.089 4.798 4.621 1.00 0.00 O ATOM 0 H ASP A 23 -6.717 4.590 6.614 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.366 5.049 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.313 6.020 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.622 4.444 4.840 1.00 0.00 H new ATOM 344 N PRO A 24 -10.506 2.808 7.446 1.00 0.00 N ATOM 345 CA PRO A 24 -11.090 1.464 7.482 1.00 0.00 C ATOM 346 C PRO A 24 -11.107 0.794 6.112 1.00 0.00 C ATOM 347 O PRO A 24 -11.231 -0.426 6.011 1.00 0.00 O ATOM 348 CB PRO A 24 -12.519 1.705 7.973 1.00 0.00 C ATOM 349 CG PRO A 24 -12.462 2.994 8.712 1.00 0.00 C ATOM 350 CD PRO A 24 -11.408 3.817 8.031 1.00 0.00 C ATOM 0 HA PRO A 24 -10.512 0.793 8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.219 1.759 7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.856 0.894 8.619 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.427 3.500 8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.213 2.832 9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.837 4.464 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.885 4.462 8.737 1.00 0.00 H new ATOM 358 N ASP A 25 -10.988 1.596 5.060 1.00 0.00 N ATOM 359 CA ASP A 25 -11.005 1.073 3.700 1.00 0.00 C ATOM 360 C ASP A 25 -9.636 0.529 3.298 1.00 0.00 C ATOM 361 O ASP A 25 -9.510 -0.634 2.916 1.00 0.00 O ATOM 362 CB ASP A 25 -11.442 2.160 2.716 1.00 0.00 C ATOM 363 CG ASP A 25 -12.836 2.681 3.008 1.00 0.00 C ATOM 364 OD1 ASP A 25 -13.515 2.102 3.882 1.00 0.00 O ATOM 365 OD2 ASP A 25 -13.249 3.666 2.361 1.00 0.00 O ATOM 0 H ASP A 25 -10.879 2.608 5.123 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.722 0.252 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.733 2.987 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.412 1.761 1.702 1.00 0.00 H new ATOM 370 N LEU A 26 -8.618 1.382 3.362 1.00 0.00 N ATOM 371 CA LEU A 26 -7.264 0.979 2.992 1.00 0.00 C ATOM 372 C LEU A 26 -6.673 0.024 4.023 1.00 0.00 C ATOM 373 O LEU A 26 -5.966 -0.920 3.673 1.00 0.00 O ATOM 374 CB LEU A 26 -6.360 2.203 2.830 1.00 0.00 C ATOM 375 CG LEU A 26 -6.040 2.955 4.122 1.00 0.00 C ATOM 376 CD1 LEU A 26 -4.866 2.305 4.840 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.743 4.416 3.820 1.00 0.00 C ATOM 0 H LEU A 26 -8.703 2.352 3.665 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.323 0.458 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.423 1.884 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.835 2.895 2.134 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.909 2.907 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.652 2.853 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.115 1.272 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.989 2.323 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.517 4.941 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.887 4.482 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.612 4.874 3.347 1.00 0.00 H new ATOM 389 N ARG A 27 -6.962 0.274 5.295 1.00 0.00 N ATOM 390 CA ARG A 27 -6.463 -0.580 6.366 1.00 0.00 C ATOM 391 C ARG A 27 -7.006 -1.996 6.216 1.00 0.00 C ATOM 392 O ARG A 27 -6.313 -2.971 6.508 1.00 0.00 O ATOM 393 CB ARG A 27 -6.849 -0.007 7.731 1.00 0.00 C ATOM 394 CG ARG A 27 -8.332 -0.112 8.039 1.00 0.00 C ATOM 395 CD ARG A 27 -8.642 -1.342 8.875 1.00 0.00 C ATOM 396 NE ARG A 27 -9.231 -0.992 10.164 1.00 0.00 N ATOM 397 CZ ARG A 27 -9.381 -1.855 11.162 1.00 0.00 C ATOM 398 NH1 ARG A 27 -8.988 -3.113 11.018 1.00 0.00 N ATOM 399 NH2 ARG A 27 -9.925 -1.460 12.305 1.00 0.00 N ATOM 0 H ARG A 27 -7.536 1.057 5.609 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.376 -0.616 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.288 -0.529 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.551 1.041 7.773 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.658 0.782 8.570 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.896 -0.153 7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.327 -1.990 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.726 -1.911 9.037 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.545 -0.032 10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.570 -3.419 10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.104 -3.775 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.229 -0.493 12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.040 -2.123 13.071 1.00 0.00 H new ATOM 413 N SER A 28 -8.246 -2.103 5.751 1.00 0.00 N ATOM 414 CA SER A 28 -8.872 -3.401 5.537 1.00 0.00 C ATOM 415 C SER A 28 -8.120 -4.191 4.472 1.00 0.00 C ATOM 416 O SER A 28 -7.993 -5.412 4.562 1.00 0.00 O ATOM 417 CB SER A 28 -10.333 -3.226 5.120 1.00 0.00 C ATOM 418 OG SER A 28 -10.850 -4.419 4.558 1.00 0.00 O ATOM 0 H SER A 28 -8.837 -1.306 5.515 1.00 0.00 H new ATOM 0 HA SER A 28 -8.835 -3.955 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.930 -2.940 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.413 -2.415 4.396 1.00 0.00 H new ATOM 0 HG SER A 28 -11.240 -4.972 5.267 1.00 0.00 H new ATOM 424 N LEU A 29 -7.625 -3.482 3.462 1.00 0.00 N ATOM 425 CA LEU A 29 -6.881 -4.111 2.376 1.00 0.00 C ATOM 426 C LEU A 29 -5.690 -4.889 2.921 1.00 0.00 C ATOM 427 O LEU A 29 -5.499 -6.061 2.595 1.00 0.00 O ATOM 428 CB LEU A 29 -6.406 -3.052 1.377 1.00 0.00 C ATOM 429 CG LEU A 29 -5.373 -3.534 0.356 1.00 0.00 C ATOM 430 CD1 LEU A 29 -6.010 -4.501 -0.631 1.00 0.00 C ATOM 431 CD2 LEU A 29 -4.756 -2.352 -0.377 1.00 0.00 C ATOM 0 H LEU A 29 -7.726 -2.471 3.373 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.544 -4.808 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.273 -2.669 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.981 -2.216 1.933 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.581 -4.059 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.261 -4.833 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.404 -5.363 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.822 -4.000 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.024 -2.714 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.537 -1.799 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.264 -1.695 0.341 1.00 0.00 H new ATOM 443 N PHE A 30 -4.894 -4.232 3.757 1.00 0.00 N ATOM 444 CA PHE A 30 -3.727 -4.867 4.356 1.00 0.00 C ATOM 445 C PHE A 30 -4.128 -6.141 5.089 1.00 0.00 C ATOM 446 O PHE A 30 -3.468 -7.174 4.970 1.00 0.00 O ATOM 447 CB PHE A 30 -3.035 -3.905 5.323 1.00 0.00 C ATOM 448 CG PHE A 30 -2.606 -2.616 4.684 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.942 -2.617 3.468 1.00 0.00 C ATOM 450 CD2 PHE A 30 -2.867 -1.402 5.300 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.546 -1.432 2.878 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.474 -0.214 4.714 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.813 -0.228 3.502 1.00 0.00 C ATOM 0 H PHE A 30 -5.036 -3.261 4.035 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.032 -5.127 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.711 -3.684 6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.161 -4.398 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.731 -3.555 2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.383 -1.384 6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.028 -1.447 1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.684 0.725 5.204 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.505 0.700 3.043 1.00 0.00 H new ATOM 463 N SER A 31 -5.220 -6.063 5.843 1.00 0.00 N ATOM 464 CA SER A 31 -5.714 -7.211 6.593 1.00 0.00 C ATOM 465 C SER A 31 -6.072 -8.360 5.657 1.00 0.00 C ATOM 466 O SER A 31 -5.649 -9.497 5.864 1.00 0.00 O ATOM 467 CB SER A 31 -6.937 -6.815 7.424 1.00 0.00 C ATOM 468 OG SER A 31 -7.284 -5.459 7.206 1.00 0.00 O ATOM 0 H SER A 31 -5.779 -5.217 5.950 1.00 0.00 H new ATOM 0 HA SER A 31 -4.921 -7.545 7.262 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.780 -7.456 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.729 -6.975 8.482 1.00 0.00 H new ATOM 0 HG SER A 31 -7.837 -5.139 7.949 1.00 0.00 H new ATOM 474 N ARG A 32 -6.855 -8.056 4.626 1.00 0.00 N ATOM 475 CA ARG A 32 -7.271 -9.064 3.658 1.00 0.00 C ATOM 476 C ARG A 32 -6.063 -9.675 2.955 1.00 0.00 C ATOM 477 O ARG A 32 -6.094 -10.833 2.539 1.00 0.00 O ATOM 478 CB ARG A 32 -8.218 -8.449 2.626 1.00 0.00 C ATOM 479 CG ARG A 32 -9.504 -7.907 3.229 1.00 0.00 C ATOM 480 CD ARG A 32 -10.223 -6.977 2.265 1.00 0.00 C ATOM 481 NE ARG A 32 -11.349 -6.296 2.899 1.00 0.00 N ATOM 482 CZ ARG A 32 -12.262 -5.602 2.227 1.00 0.00 C ATOM 483 NH1 ARG A 32 -12.180 -5.498 0.908 1.00 0.00 N ATOM 484 NH2 ARG A 32 -13.257 -5.011 2.874 1.00 0.00 N ATOM 0 H ARG A 32 -7.214 -7.120 4.440 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.794 -9.855 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.702 -7.642 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.466 -9.202 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.160 -8.736 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.277 -7.372 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.520 -6.237 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.581 -7.549 1.409 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.440 -6.356 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.415 -5.951 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.881 -4.965 0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.323 -5.089 3.889 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.957 -4.479 2.357 1.00 0.00 H new ATOM 498 N ALA A 33 -5.000 -8.888 2.828 1.00 0.00 N ATOM 499 CA ALA A 33 -3.779 -9.351 2.179 1.00 0.00 C ATOM 500 C ALA A 33 -2.913 -10.156 3.144 1.00 0.00 C ATOM 501 O ALA A 33 -2.067 -10.945 2.723 1.00 0.00 O ATOM 502 CB ALA A 33 -2.996 -8.170 1.624 1.00 0.00 C ATOM 0 H ALA A 33 -4.959 -7.926 3.166 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.062 -10.006 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.087 -8.530 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.607 -7.639 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.732 -7.494 2.437 1.00 0.00 H new ATOM 508 N GLY A 34 -3.131 -9.954 4.440 1.00 0.00 N ATOM 509 CA GLY A 34 -2.359 -10.665 5.442 1.00 0.00 C ATOM 510 C GLY A 34 -1.212 -9.837 5.992 1.00 0.00 C ATOM 511 O GLY A 34 -0.309 -10.371 6.637 1.00 0.00 O ATOM 0 H GLY A 34 -3.829 -9.311 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.016 -10.958 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.964 -11.583 5.007 1.00 0.00 H new ATOM 515 N ILE A 35 -1.241 -8.532 5.734 1.00 0.00 N ATOM 516 CA ILE A 35 -0.195 -7.636 6.213 1.00 0.00 C ATOM 517 C ILE A 35 -0.500 -7.142 7.622 1.00 0.00 C ATOM 518 O ILE A 35 -1.537 -6.526 7.864 1.00 0.00 O ATOM 519 CB ILE A 35 -0.025 -6.422 5.281 1.00 0.00 C ATOM 520 CG1 ILE A 35 0.237 -6.883 3.846 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.107 -5.533 5.772 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.192 -5.761 2.832 1.00 0.00 C ATOM 0 H ILE A 35 -1.977 -8.073 5.197 1.00 0.00 H new ATOM 0 HA ILE A 35 0.733 -8.208 6.223 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.948 -5.843 5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.214 -7.364 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.502 -7.637 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.215 -4.679 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.882 -5.180 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.036 -6.102 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.387 -6.162 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.793 -5.294 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.950 -5.017 3.078 1.00 0.00 H new ATOM 534 N SER A 36 0.413 -7.413 8.549 1.00 0.00 N ATOM 535 CA SER A 36 0.242 -6.992 9.934 1.00 0.00 C ATOM 536 C SER A 36 0.772 -5.577 10.141 1.00 0.00 C ATOM 537 O SER A 36 1.599 -5.094 9.367 1.00 0.00 O ATOM 538 CB SER A 36 0.961 -7.961 10.875 1.00 0.00 C ATOM 539 OG SER A 36 2.141 -8.472 10.279 1.00 0.00 O ATOM 0 H SER A 36 1.278 -7.922 8.366 1.00 0.00 H new ATOM 0 HA SER A 36 -0.824 -6.999 10.161 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.212 -7.451 11.805 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.294 -8.784 11.133 1.00 0.00 H new ATOM 0 HG SER A 36 2.582 -9.087 10.902 1.00 0.00 H new ATOM 545 N GLU A 37 0.292 -4.918 11.190 1.00 0.00 N ATOM 546 CA GLU A 37 0.718 -3.557 11.495 1.00 0.00 C ATOM 547 C GLU A 37 2.239 -3.463 11.545 1.00 0.00 C ATOM 548 O GLU A 37 2.815 -2.404 11.293 1.00 0.00 O ATOM 549 CB GLU A 37 0.123 -3.101 12.829 1.00 0.00 C ATOM 550 CG GLU A 37 -1.003 -2.092 12.679 1.00 0.00 C ATOM 551 CD GLU A 37 -2.268 -2.516 13.398 1.00 0.00 C ATOM 552 OE1 GLU A 37 -2.159 -3.162 14.461 1.00 0.00 O ATOM 553 OE2 GLU A 37 -3.369 -2.199 12.899 1.00 0.00 O ATOM 0 H GLU A 37 -0.391 -5.303 11.842 1.00 0.00 H new ATOM 0 HA GLU A 37 0.357 -2.903 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.250 -3.972 13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.913 -2.663 13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.675 -1.128 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.221 -1.952 11.620 1.00 0.00 H new ATOM 560 N ALA A 38 2.885 -4.578 11.871 1.00 0.00 N ATOM 561 CA ALA A 38 4.340 -4.622 11.950 1.00 0.00 C ATOM 562 C ALA A 38 4.975 -4.153 10.645 1.00 0.00 C ATOM 563 O ALA A 38 5.956 -3.410 10.652 1.00 0.00 O ATOM 564 CB ALA A 38 4.807 -6.029 12.291 1.00 0.00 C ATOM 0 H ALA A 38 2.424 -5.462 12.085 1.00 0.00 H new ATOM 0 HA ALA A 38 4.657 -3.944 12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.895 -6.048 12.347 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.389 -6.328 13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.471 -6.721 11.519 1.00 0.00 H new ATOM 570 N GLN A 39 4.407 -4.592 9.526 1.00 0.00 N ATOM 571 CA GLN A 39 4.919 -4.220 8.213 1.00 0.00 C ATOM 572 C GLN A 39 4.484 -2.808 7.837 1.00 0.00 C ATOM 573 O GLN A 39 5.190 -2.101 7.117 1.00 0.00 O ATOM 574 CB GLN A 39 4.434 -5.213 7.154 1.00 0.00 C ATOM 575 CG GLN A 39 4.959 -6.624 7.360 1.00 0.00 C ATOM 576 CD GLN A 39 4.658 -7.536 6.187 1.00 0.00 C ATOM 577 OE1 GLN A 39 5.445 -7.635 5.246 1.00 0.00 O ATOM 578 NE2 GLN A 39 3.514 -8.208 6.239 1.00 0.00 N ATOM 0 H GLN A 39 3.592 -5.205 9.503 1.00 0.00 H new ATOM 0 HA GLN A 39 6.008 -4.245 8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.344 -5.235 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.740 -4.860 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.037 -6.587 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.517 -7.043 8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.892 -8.095 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.257 -8.838 5.479 1.00 0.00 H new ATOM 587 N LEU A 40 3.321 -2.399 8.333 1.00 0.00 N ATOM 588 CA LEU A 40 2.794 -1.070 8.047 1.00 0.00 C ATOM 589 C LEU A 40 3.615 0.004 8.754 1.00 0.00 C ATOM 590 O LEU A 40 3.656 1.154 8.319 1.00 0.00 O ATOM 591 CB LEU A 40 1.329 -0.976 8.477 1.00 0.00 C ATOM 592 CG LEU A 40 0.356 -1.813 7.644 1.00 0.00 C ATOM 593 CD1 LEU A 40 -1.067 -1.640 8.153 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.450 -1.434 6.174 1.00 0.00 C ATOM 0 H LEU A 40 2.726 -2.968 8.935 1.00 0.00 H new ATOM 0 HA LEU A 40 2.860 -0.903 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.251 -1.286 9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.019 0.068 8.431 1.00 0.00 H new ATOM 0 HG LEU A 40 0.630 -2.863 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.745 -2.242 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.123 -1.963 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.353 -0.591 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.249 -2.039 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.202 -0.379 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.464 -1.611 5.817 1.00 0.00 H new ATOM 606 N THR A 41 4.273 -0.381 9.844 1.00 0.00 N ATOM 607 CA THR A 41 5.097 0.549 10.607 1.00 0.00 C ATOM 608 C THR A 41 6.578 0.420 10.246 1.00 0.00 C ATOM 609 O THR A 41 7.404 1.206 10.711 1.00 0.00 O ATOM 610 CB THR A 41 4.907 0.313 12.106 1.00 0.00 C ATOM 611 OG1 THR A 41 5.476 -0.926 12.493 1.00 0.00 O ATOM 612 CG2 THR A 41 3.456 0.307 12.533 1.00 0.00 C ATOM 0 H THR A 41 4.251 -1.330 10.218 1.00 0.00 H new ATOM 0 HA THR A 41 4.776 1.559 10.352 1.00 0.00 H new ATOM 0 HB THR A 41 5.407 1.148 12.596 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.552 -1.510 11.710 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.394 0.135 13.607 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.002 1.268 12.293 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.925 -0.486 12.007 1.00 0.00 H new ATOM 620 N ASP A 42 6.916 -0.566 9.416 1.00 0.00 N ATOM 621 CA ASP A 42 8.300 -0.776 9.009 1.00 0.00 C ATOM 622 C ASP A 42 8.679 0.163 7.869 1.00 0.00 C ATOM 623 O ASP A 42 8.058 0.149 6.808 1.00 0.00 O ATOM 624 CB ASP A 42 8.511 -2.230 8.580 1.00 0.00 C ATOM 625 CG ASP A 42 9.958 -2.666 8.705 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.618 -2.258 9.683 1.00 0.00 O ATOM 627 OD2 ASP A 42 10.429 -3.417 7.825 1.00 0.00 O ATOM 0 H ASP A 42 6.252 -1.228 9.015 1.00 0.00 H new ATOM 0 HA ASP A 42 8.942 -0.559 9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.884 -2.880 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.186 -2.352 7.547 1.00 0.00 H new ATOM 632 N ALA A 43 9.698 0.984 8.099 1.00 0.00 N ATOM 633 CA ALA A 43 10.156 1.935 7.092 1.00 0.00 C ATOM 634 C ALA A 43 10.375 1.253 5.746 1.00 0.00 C ATOM 635 O ALA A 43 10.130 1.842 4.694 1.00 0.00 O ATOM 636 CB ALA A 43 11.437 2.612 7.553 1.00 0.00 C ATOM 0 H ALA A 43 10.222 1.010 8.973 1.00 0.00 H new ATOM 0 HA ALA A 43 9.380 2.690 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.769 3.319 6.793 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.252 3.143 8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.210 1.860 7.710 1.00 0.00 H new ATOM 642 N GLU A 44 10.844 0.011 5.787 1.00 0.00 N ATOM 643 CA GLU A 44 11.116 -0.743 4.577 1.00 0.00 C ATOM 644 C GLU A 44 9.829 -1.182 3.885 1.00 0.00 C ATOM 645 O GLU A 44 9.581 -0.829 2.732 1.00 0.00 O ATOM 646 CB GLU A 44 11.965 -1.959 4.910 1.00 0.00 C ATOM 647 CG GLU A 44 12.460 -2.706 3.689 1.00 0.00 C ATOM 648 CD GLU A 44 12.841 -1.797 2.531 1.00 0.00 C ATOM 649 OE1 GLU A 44 11.927 -1.326 1.821 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.051 -1.559 2.337 1.00 0.00 O ATOM 0 H GLU A 44 11.043 -0.494 6.651 1.00 0.00 H new ATOM 0 HA GLU A 44 11.657 -0.092 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.822 -1.642 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.382 -2.640 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.325 -3.307 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.685 -3.397 3.357 1.00 0.00 H new ATOM 657 N THR A 45 9.016 -1.960 4.592 1.00 0.00 N ATOM 658 CA THR A 45 7.766 -2.460 4.035 1.00 0.00 C ATOM 659 C THR A 45 6.779 -1.323 3.802 1.00 0.00 C ATOM 660 O THR A 45 5.997 -1.352 2.853 1.00 0.00 O ATOM 661 CB THR A 45 7.148 -3.505 4.964 1.00 0.00 C ATOM 662 OG1 THR A 45 8.111 -3.987 5.885 1.00 0.00 O ATOM 663 CG2 THR A 45 6.578 -4.698 4.228 1.00 0.00 C ATOM 0 H THR A 45 9.201 -2.257 5.550 1.00 0.00 H new ATOM 0 HA THR A 45 7.989 -2.926 3.075 1.00 0.00 H new ATOM 0 HB THR A 45 6.333 -2.992 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.697 -4.653 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.155 -5.401 4.946 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.797 -4.365 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.370 -5.189 3.663 1.00 0.00 H new ATOM 671 N SER A 46 6.818 -0.318 4.666 1.00 0.00 N ATOM 672 CA SER A 46 5.924 0.823 4.534 1.00 0.00 C ATOM 673 C SER A 46 6.105 1.483 3.173 1.00 0.00 C ATOM 674 O SER A 46 5.134 1.885 2.536 1.00 0.00 O ATOM 675 CB SER A 46 6.185 1.840 5.648 1.00 0.00 C ATOM 676 OG SER A 46 7.410 2.521 5.441 1.00 0.00 O ATOM 0 H SER A 46 7.455 -0.270 5.461 1.00 0.00 H new ATOM 0 HA SER A 46 4.897 0.467 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.367 2.560 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.207 1.331 6.612 1.00 0.00 H new ATOM 0 HG SER A 46 7.229 3.453 5.198 1.00 0.00 H new ATOM 682 N LYS A 47 7.357 1.577 2.732 1.00 0.00 N ATOM 683 CA LYS A 47 7.682 2.179 1.442 1.00 0.00 C ATOM 684 C LYS A 47 7.043 1.406 0.291 1.00 0.00 C ATOM 685 O LYS A 47 6.371 1.985 -0.562 1.00 0.00 O ATOM 686 CB LYS A 47 9.201 2.228 1.256 1.00 0.00 C ATOM 687 CG LYS A 47 9.640 2.742 -0.107 1.00 0.00 C ATOM 688 CD LYS A 47 9.864 4.245 -0.087 1.00 0.00 C ATOM 689 CE LYS A 47 10.784 4.688 -1.212 1.00 0.00 C ATOM 690 NZ LYS A 47 10.764 6.166 -1.395 1.00 0.00 N ATOM 0 H LYS A 47 8.167 1.242 3.253 1.00 0.00 H new ATOM 0 HA LYS A 47 7.281 3.192 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.631 2.865 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.608 1.228 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.559 2.240 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.883 2.495 -0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.906 4.757 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.293 4.537 0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.802 4.362 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.482 4.203 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.404 6.428 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.798 6.474 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.076 6.629 -0.518 1.00 0.00 H new ATOM 704 N LEU A 48 7.297 0.105 0.243 1.00 0.00 N ATOM 705 CA LEU A 48 6.757 -0.732 -0.822 1.00 0.00 C ATOM 706 C LEU A 48 5.235 -0.832 -0.728 1.00 0.00 C ATOM 707 O LEU A 48 4.552 -0.970 -1.743 1.00 0.00 O ATOM 708 CB LEU A 48 7.389 -2.129 -0.785 1.00 0.00 C ATOM 709 CG LEU A 48 6.806 -3.091 0.253 1.00 0.00 C ATOM 710 CD1 LEU A 48 5.685 -3.917 -0.353 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.891 -4.002 0.805 1.00 0.00 C ATOM 0 H LEU A 48 7.870 -0.392 0.925 1.00 0.00 H new ATOM 0 HA LEU A 48 7.006 -0.263 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.286 -2.581 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.457 -2.020 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 48 6.397 -2.500 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.284 -4.595 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.894 -3.255 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.072 -4.496 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.458 -4.679 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.328 -4.582 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.666 -3.399 1.278 1.00 0.00 H new ATOM 723 N ILE A 49 4.709 -0.771 0.493 1.00 0.00 N ATOM 724 CA ILE A 49 3.267 -0.868 0.707 1.00 0.00 C ATOM 725 C ILE A 49 2.532 0.377 0.197 1.00 0.00 C ATOM 726 O ILE A 49 1.731 0.290 -0.733 1.00 0.00 O ATOM 727 CB ILE A 49 2.935 -1.107 2.200 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.463 -2.475 2.640 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.434 -1.024 2.455 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.676 -2.591 4.134 1.00 0.00 C ATOM 0 H ILE A 49 5.257 -0.655 1.346 1.00 0.00 H new ATOM 0 HA ILE A 49 2.920 -1.726 0.132 1.00 0.00 H new ATOM 0 HB ILE A 49 3.421 -0.324 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.761 -3.246 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.406 -2.672 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.235 -1.196 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.071 -0.035 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.922 -1.781 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.051 -3.587 4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.401 -1.844 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.730 -2.426 4.650 1.00 0.00 H new ATOM 742 N TYR A 50 2.791 1.532 0.809 1.00 0.00 N ATOM 743 CA TYR A 50 2.107 2.760 0.407 1.00 0.00 C ATOM 744 C TYR A 50 2.279 2.998 -1.094 1.00 0.00 C ATOM 745 O TYR A 50 1.361 3.464 -1.769 1.00 0.00 O ATOM 746 CB TYR A 50 2.594 3.970 1.230 1.00 0.00 C ATOM 747 CG TYR A 50 3.752 4.741 0.628 1.00 0.00 C ATOM 748 CD1 TYR A 50 4.997 4.154 0.466 1.00 0.00 C ATOM 749 CD2 TYR A 50 3.590 6.059 0.218 1.00 0.00 C ATOM 750 CE1 TYR A 50 6.051 4.856 -0.085 1.00 0.00 C ATOM 751 CE2 TYR A 50 4.638 6.769 -0.334 1.00 0.00 C ATOM 752 CZ TYR A 50 5.867 6.163 -0.484 1.00 0.00 C ATOM 753 OH TYR A 50 6.915 6.866 -1.033 1.00 0.00 O ATOM 0 H TYR A 50 3.458 1.643 1.573 1.00 0.00 H new ATOM 0 HA TYR A 50 1.043 2.641 0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.757 4.654 1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.888 3.620 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.145 3.130 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.628 6.536 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.015 4.383 -0.203 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.496 7.793 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 50 7.257 7.509 -0.377 1.00 0.00 H new ATOM 763 N ASP A 51 3.460 2.664 -1.608 1.00 0.00 N ATOM 764 CA ASP A 51 3.747 2.821 -3.029 1.00 0.00 C ATOM 765 C ASP A 51 2.705 2.091 -3.866 1.00 0.00 C ATOM 766 O ASP A 51 2.352 2.533 -4.960 1.00 0.00 O ATOM 767 CB ASP A 51 5.146 2.292 -3.352 1.00 0.00 C ATOM 768 CG ASP A 51 6.212 3.365 -3.238 1.00 0.00 C ATOM 769 OD1 ASP A 51 5.850 4.560 -3.210 1.00 0.00 O ATOM 770 OD2 ASP A 51 7.408 3.011 -3.178 1.00 0.00 O ATOM 0 H ASP A 51 4.232 2.283 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 51 3.709 3.883 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.386 1.472 -2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.152 1.884 -4.363 1.00 0.00 H new ATOM 775 N PHE A 52 2.206 0.977 -3.340 1.00 0.00 N ATOM 776 CA PHE A 52 1.184 0.202 -4.031 1.00 0.00 C ATOM 777 C PHE A 52 -0.101 1.013 -4.149 1.00 0.00 C ATOM 778 O PHE A 52 -0.773 0.988 -5.179 1.00 0.00 O ATOM 779 CB PHE A 52 0.915 -1.112 -3.290 1.00 0.00 C ATOM 780 CG PHE A 52 -0.261 -1.878 -3.826 1.00 0.00 C ATOM 781 CD1 PHE A 52 -0.105 -2.772 -4.873 1.00 0.00 C ATOM 782 CD2 PHE A 52 -1.523 -1.702 -3.281 1.00 0.00 C ATOM 783 CE1 PHE A 52 -1.187 -3.476 -5.366 1.00 0.00 C ATOM 784 CE2 PHE A 52 -2.608 -2.403 -3.770 1.00 0.00 C ATOM 785 CZ PHE A 52 -2.440 -3.291 -4.814 1.00 0.00 C ATOM 0 H PHE A 52 2.492 0.592 -2.440 1.00 0.00 H new ATOM 0 HA PHE A 52 1.545 -0.033 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.804 -1.740 -3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.746 -0.896 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.872 -2.920 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.660 -1.009 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.053 -4.170 -6.182 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.586 -2.257 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.287 -3.840 -5.198 1.00 0.00 H new ATOM 795 N ILE A 53 -0.428 1.745 -3.089 1.00 0.00 N ATOM 796 CA ILE A 53 -1.613 2.592 -3.084 1.00 0.00 C ATOM 797 C ILE A 53 -1.564 3.577 -4.249 1.00 0.00 C ATOM 798 O ILE A 53 -2.597 3.965 -4.794 1.00 0.00 O ATOM 799 CB ILE A 53 -1.742 3.366 -1.755 1.00 0.00 C ATOM 800 CG1 ILE A 53 -1.857 2.384 -0.585 1.00 0.00 C ATOM 801 CG2 ILE A 53 -2.941 4.305 -1.784 1.00 0.00 C ATOM 802 CD1 ILE A 53 -2.180 3.045 0.737 1.00 0.00 C ATOM 0 H ILE A 53 0.111 1.768 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.484 1.946 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.846 3.972 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.631 1.651 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.919 1.838 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.009 4.838 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.822 5.023 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.852 3.727 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.245 2.286 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.395 3.758 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.133 3.568 0.659 1.00 0.00 H new ATOM 814 N GLU A 54 -0.351 3.953 -4.643 1.00 0.00 N ATOM 815 CA GLU A 54 -0.159 4.871 -5.757 1.00 0.00 C ATOM 816 C GLU A 54 -0.531 4.202 -7.077 1.00 0.00 C ATOM 817 O GLU A 54 -1.083 4.840 -7.973 1.00 0.00 O ATOM 818 CB GLU A 54 1.292 5.353 -5.805 1.00 0.00 C ATOM 819 CG GLU A 54 1.593 6.264 -6.985 1.00 0.00 C ATOM 820 CD GLU A 54 2.898 5.915 -7.673 1.00 0.00 C ATOM 821 OE1 GLU A 54 3.861 5.545 -6.968 1.00 0.00 O ATOM 822 OE2 GLU A 54 2.958 6.011 -8.916 1.00 0.00 O ATOM 0 H GLU A 54 0.514 3.635 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.812 5.731 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.521 5.883 -4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.952 4.487 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.778 6.200 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.633 7.297 -6.640 1.00 0.00 H new ATOM 829 N ASP A 55 -0.232 2.909 -7.187 1.00 0.00 N ATOM 830 CA ASP A 55 -0.549 2.156 -8.396 1.00 0.00 C ATOM 831 C ASP A 55 -2.056 1.935 -8.513 1.00 0.00 C ATOM 832 O ASP A 55 -2.590 1.781 -9.611 1.00 0.00 O ATOM 833 CB ASP A 55 0.199 0.812 -8.409 1.00 0.00 C ATOM 834 CG ASP A 55 -0.443 -0.245 -7.526 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.619 -0.587 -7.767 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.237 -0.741 -6.603 1.00 0.00 O ATOM 0 H ASP A 55 0.227 2.364 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.221 2.738 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.245 0.440 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.226 0.973 -8.082 1.00 0.00 H new ATOM 841 N GLN A 56 -2.733 1.926 -7.368 1.00 0.00 N ATOM 842 CA GLN A 56 -4.177 1.725 -7.330 1.00 0.00 C ATOM 843 C GLN A 56 -4.931 3.041 -7.519 1.00 0.00 C ATOM 844 O GLN A 56 -6.143 3.101 -7.312 1.00 0.00 O ATOM 845 CB GLN A 56 -4.581 1.090 -5.998 1.00 0.00 C ATOM 846 CG GLN A 56 -3.986 -0.291 -5.774 1.00 0.00 C ATOM 847 CD GLN A 56 -4.463 -1.306 -6.795 1.00 0.00 C ATOM 848 OE1 GLN A 56 -5.641 -1.343 -7.147 1.00 0.00 O ATOM 849 NE2 GLN A 56 -3.546 -2.139 -7.273 1.00 0.00 N ATOM 0 H GLN A 56 -2.303 2.056 -6.452 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.442 1.060 -8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.271 1.746 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.668 1.019 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.899 -0.225 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.248 -0.637 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.580 -2.072 -6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.808 -2.846 -7.961 1.00 0.00 H new ATOM 858 N GLY A 57 -4.215 4.094 -7.910 1.00 0.00 N ATOM 859 CA GLY A 57 -4.847 5.384 -8.106 1.00 0.00 C ATOM 860 C GLY A 57 -4.693 6.295 -6.902 1.00 0.00 C ATOM 861 O GLY A 57 -5.431 7.269 -6.753 1.00 0.00 O ATOM 0 H GLY A 57 -3.212 4.075 -8.093 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.414 5.868 -8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.907 5.238 -8.314 1.00 0.00 H new ATOM 865 N GLY A 58 -3.734 5.975 -6.037 1.00 0.00 N ATOM 866 CA GLY A 58 -3.493 6.789 -4.861 1.00 0.00 C ATOM 867 C GLY A 58 -4.416 6.450 -3.706 1.00 0.00 C ATOM 868 O GLY A 58 -5.355 5.668 -3.857 1.00 0.00 O ATOM 0 H GLY A 58 -3.120 5.166 -6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.459 6.660 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.617 7.840 -5.122 1.00 0.00 H new ATOM 872 N LEU A 59 -4.143 7.048 -2.551 1.00 0.00 N ATOM 873 CA LEU A 59 -4.942 6.821 -1.352 1.00 0.00 C ATOM 874 C LEU A 59 -6.435 6.952 -1.650 1.00 0.00 C ATOM 875 O LEU A 59 -7.241 6.137 -1.202 1.00 0.00 O ATOM 876 CB LEU A 59 -4.525 7.818 -0.260 1.00 0.00 C ATOM 877 CG LEU A 59 -5.545 8.049 0.862 1.00 0.00 C ATOM 878 CD1 LEU A 59 -5.935 6.729 1.512 1.00 0.00 C ATOM 879 CD2 LEU A 59 -4.986 9.017 1.895 1.00 0.00 C ATOM 0 H LEU A 59 -3.368 7.698 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.762 5.804 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.595 7.469 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.311 8.776 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.443 8.491 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.659 6.914 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.377 6.071 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.048 6.255 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.721 9.171 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.073 8.604 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.762 9.971 1.417 1.00 0.00 H new ATOM 891 N GLU A 60 -6.796 7.991 -2.393 1.00 0.00 N ATOM 892 CA GLU A 60 -8.194 8.248 -2.718 1.00 0.00 C ATOM 893 C GLU A 60 -8.785 7.123 -3.560 1.00 0.00 C ATOM 894 O GLU A 60 -9.959 6.786 -3.418 1.00 0.00 O ATOM 895 CB GLU A 60 -8.324 9.577 -3.465 1.00 0.00 C ATOM 896 CG GLU A 60 -8.184 10.795 -2.567 1.00 0.00 C ATOM 897 CD GLU A 60 -8.090 12.089 -3.351 1.00 0.00 C ATOM 898 OE1 GLU A 60 -8.921 12.294 -4.260 1.00 0.00 O ATOM 899 OE2 GLU A 60 -7.183 12.897 -3.057 1.00 0.00 O ATOM 0 H GLU A 60 -6.141 8.669 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.750 8.300 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.564 9.622 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.293 9.612 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.039 10.845 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.294 10.685 -1.947 1.00 0.00 H new ATOM 906 N ALA A 61 -7.971 6.545 -4.437 1.00 0.00 N ATOM 907 CA ALA A 61 -8.433 5.469 -5.306 1.00 0.00 C ATOM 908 C ALA A 61 -8.626 4.167 -4.533 1.00 0.00 C ATOM 909 O ALA A 61 -9.518 3.379 -4.847 1.00 0.00 O ATOM 910 CB ALA A 61 -7.461 5.261 -6.453 1.00 0.00 C ATOM 0 H ALA A 61 -6.992 6.802 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.402 5.763 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.820 4.455 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.384 6.179 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.480 5.000 -6.056 1.00 0.00 H new ATOM 916 N VAL A 62 -7.788 3.943 -3.526 1.00 0.00 N ATOM 917 CA VAL A 62 -7.881 2.729 -2.722 1.00 0.00 C ATOM 918 C VAL A 62 -9.196 2.699 -1.955 1.00 0.00 C ATOM 919 O VAL A 62 -10.046 1.842 -2.192 1.00 0.00 O ATOM 920 CB VAL A 62 -6.709 2.610 -1.730 1.00 0.00 C ATOM 921 CG1 VAL A 62 -6.798 1.305 -0.954 1.00 0.00 C ATOM 922 CG2 VAL A 62 -5.381 2.714 -2.464 1.00 0.00 C ATOM 0 H VAL A 62 -7.042 4.581 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.836 1.884 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.771 3.433 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.962 1.238 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.736 1.275 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.760 0.466 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.563 2.628 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.307 1.912 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.320 3.677 -2.971 1.00 0.00 H new ATOM 932 N ARG A 63 -9.376 3.658 -1.057 1.00 0.00 N ATOM 933 CA ARG A 63 -10.619 3.755 -0.299 1.00 0.00 C ATOM 934 C ARG A 63 -11.815 3.755 -1.250 1.00 0.00 C ATOM 935 O ARG A 63 -12.850 3.151 -0.969 1.00 0.00 O ATOM 936 CB ARG A 63 -10.634 5.017 0.573 1.00 0.00 C ATOM 937 CG ARG A 63 -9.874 6.192 -0.022 1.00 0.00 C ATOM 938 CD ARG A 63 -10.451 7.522 0.435 1.00 0.00 C ATOM 939 NE ARG A 63 -10.062 7.848 1.804 1.00 0.00 N ATOM 940 CZ ARG A 63 -10.685 8.753 2.554 1.00 0.00 C ATOM 941 NH1 ARG A 63 -11.725 9.417 2.069 1.00 0.00 N ATOM 942 NH2 ARG A 63 -10.268 8.992 3.790 1.00 0.00 N ATOM 0 H ARG A 63 -8.685 4.375 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.687 2.888 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.668 5.316 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.207 4.778 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.825 6.131 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.908 6.135 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.114 8.313 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.538 7.488 0.366 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.267 7.353 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.049 9.234 1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.201 10.110 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.469 8.482 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.746 9.686 4.364 1.00 0.00 H new ATOM 956 N GLN A 64 -11.650 4.434 -2.382 1.00 0.00 N ATOM 957 CA GLN A 64 -12.696 4.523 -3.398 1.00 0.00 C ATOM 958 C GLN A 64 -13.017 3.160 -4.006 1.00 0.00 C ATOM 959 O GLN A 64 -14.184 2.792 -4.142 1.00 0.00 O ATOM 960 CB GLN A 64 -12.269 5.485 -4.508 1.00 0.00 C ATOM 961 CG GLN A 64 -12.670 6.928 -4.255 1.00 0.00 C ATOM 962 CD GLN A 64 -12.463 7.812 -5.469 1.00 0.00 C ATOM 963 OE1 GLN A 64 -13.318 7.886 -6.351 1.00 0.00 O ATOM 964 NE2 GLN A 64 -11.322 8.490 -5.520 1.00 0.00 N ATOM 0 H GLN A 64 -10.794 4.935 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.595 4.895 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.186 5.433 -4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.707 5.156 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.718 6.963 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.090 7.322 -3.420 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.641 8.399 -4.766 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.127 9.102 -6.313 1.00 0.00 H new ATOM 973 N GLU A 65 -11.979 2.432 -4.413 1.00 0.00 N ATOM 974 CA GLU A 65 -12.163 1.140 -5.066 1.00 0.00 C ATOM 975 C GLU A 65 -12.709 0.095 -4.096 1.00 0.00 C ATOM 976 O GLU A 65 -13.611 -0.669 -4.439 1.00 0.00 O ATOM 977 CB GLU A 65 -10.843 0.661 -5.685 1.00 0.00 C ATOM 978 CG GLU A 65 -9.865 0.061 -4.686 1.00 0.00 C ATOM 979 CD GLU A 65 -8.668 -0.583 -5.357 1.00 0.00 C ATOM 980 OE1 GLU A 65 -8.872 -1.485 -6.197 1.00 0.00 O ATOM 981 OE2 GLU A 65 -7.526 -0.187 -5.042 1.00 0.00 O ATOM 0 H GLU A 65 -11.005 2.715 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.898 1.270 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.063 -0.082 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.363 1.502 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.520 0.841 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.381 -0.683 -4.080 1.00 0.00 H new ATOM 988 N MET A 66 -12.162 0.063 -2.887 1.00 0.00 N ATOM 989 CA MET A 66 -12.612 -0.887 -1.878 1.00 0.00 C ATOM 990 C MET A 66 -14.114 -0.757 -1.652 1.00 0.00 C ATOM 991 O MET A 66 -14.792 -1.728 -1.318 1.00 0.00 O ATOM 992 CB MET A 66 -11.865 -0.658 -0.561 1.00 0.00 C ATOM 993 CG MET A 66 -10.527 -1.374 -0.488 1.00 0.00 C ATOM 994 SD MET A 66 -10.689 -3.107 -0.016 1.00 0.00 S ATOM 995 CE MET A 66 -9.914 -3.092 1.598 1.00 0.00 C ATOM 0 H MET A 66 -11.410 0.681 -2.583 1.00 0.00 H new ATOM 0 HA MET A 66 -12.398 -1.894 -2.237 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.703 0.411 -0.426 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.492 -0.992 0.266 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.032 -1.311 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.886 -0.864 0.231 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.551 -4.092 1.837 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.077 -2.394 1.593 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.641 -2.782 2.348 1.00 0.00 H new ATOM 1005 N ARG A 67 -14.623 0.456 -1.836 1.00 0.00 N ATOM 1006 CA ARG A 67 -16.042 0.737 -1.646 1.00 0.00 C ATOM 1007 C ARG A 67 -16.873 0.267 -2.834 1.00 0.00 C ATOM 1008 O ARG A 67 -17.974 -0.258 -2.665 1.00 0.00 O ATOM 1009 CB ARG A 67 -16.248 2.235 -1.444 1.00 0.00 C ATOM 1010 CG ARG A 67 -15.786 2.733 -0.086 1.00 0.00 C ATOM 1011 CD ARG A 67 -16.796 2.401 1.001 1.00 0.00 C ATOM 1012 NE ARG A 67 -16.208 2.469 2.336 1.00 0.00 N ATOM 1013 CZ ARG A 67 -16.897 2.265 3.454 1.00 0.00 C ATOM 1014 NH1 ARG A 67 -18.192 1.981 3.395 1.00 0.00 N ATOM 1015 NH2 ARG A 67 -16.293 2.344 4.631 1.00 0.00 N ATOM 0 H ARG A 67 -14.070 1.265 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.374 0.191 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.710 2.776 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -17.306 2.468 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.824 2.283 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.633 3.812 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.635 3.094 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.195 1.401 0.831 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.214 2.685 2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.660 1.919 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.719 1.825 4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.298 2.562 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.823 2.187 5.488 1.00 0.00 H new ATOM 1029 N ARG A 68 -16.349 0.475 -4.036 1.00 0.00 N ATOM 1030 CA ARG A 68 -17.060 0.096 -5.252 1.00 0.00 C ATOM 1031 C ARG A 68 -17.153 -1.418 -5.372 1.00 0.00 C ATOM 1032 O ARG A 68 -18.089 -1.948 -5.971 1.00 0.00 O ATOM 1033 CB ARG A 68 -16.355 0.673 -6.481 1.00 0.00 C ATOM 1034 CG ARG A 68 -16.357 2.193 -6.528 1.00 0.00 C ATOM 1035 CD ARG A 68 -15.154 2.728 -7.287 1.00 0.00 C ATOM 1036 NE ARG A 68 -15.283 2.529 -8.728 1.00 0.00 N ATOM 1037 CZ ARG A 68 -14.284 2.705 -9.587 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -13.090 3.081 -9.151 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -14.479 2.504 -10.883 1.00 0.00 N ATOM 0 H ARG A 68 -15.437 0.903 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 68 -18.069 0.503 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.324 0.319 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -16.838 0.290 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -17.273 2.542 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.354 2.590 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.036 3.791 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.251 2.231 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.189 2.239 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.936 3.236 -8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.325 3.215 -9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.396 2.214 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.712 2.639 -11.541 1.00 0.00 H new ATOM 1053 N GLN A 69 -16.190 -2.111 -4.778 1.00 0.00 N ATOM 1054 CA GLN A 69 -16.161 -3.564 -4.814 1.00 0.00 C ATOM 1055 C GLN A 69 -17.288 -4.163 -3.977 1.00 0.00 C ATOM 1056 O GLN A 69 -17.651 -5.326 -4.153 1.00 0.00 O ATOM 1057 CB GLN A 69 -14.810 -4.067 -4.311 1.00 0.00 C ATOM 1058 CG GLN A 69 -13.765 -4.177 -5.406 1.00 0.00 C ATOM 1059 CD GLN A 69 -13.575 -2.886 -6.177 1.00 0.00 C ATOM 1060 OE1 GLN A 69 -14.536 -2.294 -6.669 1.00 0.00 O ATOM 1061 NE2 GLN A 69 -12.327 -2.454 -6.309 1.00 0.00 N ATOM 0 H GLN A 69 -15.417 -1.687 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 69 -16.306 -3.882 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.445 -3.393 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.944 -5.044 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.814 -4.473 -4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.054 -4.968 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.559 -2.975 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.135 -1.601 -6.834 1.00 0.00 H new ATOM 1070 N GLY A 70 -17.840 -3.366 -3.068 1.00 0.00 N ATOM 1071 CA GLY A 70 -18.918 -3.842 -2.222 1.00 0.00 C ATOM 1072 C GLY A 70 -20.283 -3.629 -2.847 1.00 0.00 C ATOM 1073 O GLY A 70 -21.049 -2.773 -2.405 1.00 0.00 O ATOM 0 H GLY A 70 -17.560 -2.399 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.776 -4.904 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.877 -3.327 -1.262 1.00 0.00 H new ATOM 1077 N GLY A 71 -20.589 -4.412 -3.878 1.00 0.00 N ATOM 1078 CA GLY A 71 -21.872 -4.291 -4.547 1.00 0.00 C ATOM 1079 C GLY A 71 -21.759 -3.619 -5.902 1.00 0.00 C ATOM 1080 O GLY A 71 -20.741 -3.003 -6.214 1.00 0.00 O ATOM 0 H GLY A 71 -19.972 -5.128 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -22.308 -5.282 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -22.554 -3.720 -3.917 1.00 0.00 H new ATOM 1084 N SER A 72 -22.809 -3.739 -6.709 1.00 0.00 N ATOM 1085 CA SER A 72 -22.826 -3.137 -8.037 1.00 0.00 C ATOM 1086 C SER A 72 -21.624 -3.593 -8.858 1.00 0.00 C ATOM 1087 O SER A 72 -20.498 -3.150 -8.627 1.00 0.00 O ATOM 1088 CB SER A 72 -22.835 -1.612 -7.927 1.00 0.00 C ATOM 1089 OG SER A 72 -23.065 -1.010 -9.190 1.00 0.00 O ATOM 0 H SER A 72 -23.659 -4.248 -6.466 1.00 0.00 H new ATOM 0 HA SER A 72 -23.733 -3.463 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.609 -1.300 -7.226 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.882 -1.268 -7.525 1.00 0.00 H new ATOM 0 HG SER A 72 -23.068 -0.035 -9.092 1.00 0.00 H new ATOM 1095 N GLY A 73 -21.870 -4.477 -9.819 1.00 0.00 N ATOM 1096 CA GLY A 73 -20.798 -4.980 -10.656 1.00 0.00 C ATOM 1097 C GLY A 73 -19.664 -5.574 -9.844 1.00 0.00 C ATOM 1098 O GLY A 73 -18.724 -4.872 -9.471 1.00 0.00 O ATOM 0 H GLY A 73 -22.793 -4.854 -10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.193 -5.738 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -20.413 -4.170 -11.275 1.00 0.00 H new ATOM 1102 N GLY A 74 -19.755 -6.870 -9.565 1.00 0.00 N ATOM 1103 CA GLY A 74 -18.727 -7.535 -8.788 1.00 0.00 C ATOM 1104 C GLY A 74 -18.990 -7.458 -7.297 1.00 0.00 C ATOM 1105 O GLY A 74 -18.245 -6.812 -6.560 1.00 0.00 O ATOM 0 H GLY A 74 -20.523 -7.471 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.666 -8.581 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.760 -7.083 -9.008 1.00 0.00 H new ATOM 1109 N SER A 75 -20.056 -8.116 -6.853 1.00 0.00 N ATOM 1110 CA SER A 75 -20.421 -8.120 -5.441 1.00 0.00 C ATOM 1111 C SER A 75 -19.286 -8.665 -4.575 1.00 0.00 C ATOM 1112 O SER A 75 -19.251 -8.432 -3.367 1.00 0.00 O ATOM 1113 CB SER A 75 -21.684 -8.956 -5.226 1.00 0.00 C ATOM 1114 OG SER A 75 -22.225 -8.741 -3.934 1.00 0.00 O ATOM 0 H SER A 75 -20.683 -8.654 -7.451 1.00 0.00 H new ATOM 0 HA SER A 75 -20.613 -7.089 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 75 -22.426 -8.700 -5.982 1.00 0.00 H new ATOM 0 HB3 SER A 75 -21.450 -10.013 -5.354 1.00 0.00 H new ATOM 0 HG SER A 75 -23.032 -9.286 -3.823 1.00 0.00 H new ATOM 1120 N GLN A 76 -18.355 -9.384 -5.198 1.00 0.00 N ATOM 1121 CA GLN A 76 -17.230 -9.965 -4.473 1.00 0.00 C ATOM 1122 C GLN A 76 -16.224 -8.890 -4.069 1.00 0.00 C ATOM 1123 O GLN A 76 -15.818 -8.066 -4.888 1.00 0.00 O ATOM 1124 CB GLN A 76 -16.545 -11.040 -5.325 1.00 0.00 C ATOM 1125 CG GLN A 76 -15.662 -10.485 -6.434 1.00 0.00 C ATOM 1126 CD GLN A 76 -16.458 -9.823 -7.541 1.00 0.00 C ATOM 1127 OE1 GLN A 76 -16.540 -8.597 -7.615 1.00 0.00 O ATOM 1128 NE2 GLN A 76 -17.051 -10.634 -8.409 1.00 0.00 N ATOM 0 H GLN A 76 -18.358 -9.577 -6.200 1.00 0.00 H new ATOM 0 HA GLN A 76 -17.616 -10.428 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.940 -11.672 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -17.309 -11.678 -5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.966 -9.761 -6.010 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.064 -11.293 -6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.956 -11.645 -8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.601 -10.246 -9.175 1.00 0.00 H new ATOM 1137 N SER A 77 -15.830 -8.905 -2.799 1.00 0.00 N ATOM 1138 CA SER A 77 -14.875 -7.932 -2.282 1.00 0.00 C ATOM 1139 C SER A 77 -13.595 -8.619 -1.816 1.00 0.00 C ATOM 1140 O SER A 77 -13.622 -9.772 -1.386 1.00 0.00 O ATOM 1141 CB SER A 77 -15.494 -7.146 -1.124 1.00 0.00 C ATOM 1142 OG SER A 77 -15.177 -5.768 -1.215 1.00 0.00 O ATOM 0 H SER A 77 -16.158 -9.581 -2.109 1.00 0.00 H new ATOM 0 HA SER A 77 -14.624 -7.243 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 77 -16.576 -7.274 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.132 -7.544 -0.176 1.00 0.00 H new ATOM 0 HG SER A 77 -15.586 -5.288 -0.465 1.00 0.00 H new ATOM 1148 N SER A 78 -12.472 -7.905 -1.924 1.00 0.00 N ATOM 1149 CA SER A 78 -11.159 -8.426 -1.520 1.00 0.00 C ATOM 1150 C SER A 78 -10.503 -9.231 -2.642 1.00 0.00 C ATOM 1151 O SER A 78 -9.303 -9.104 -2.882 1.00 0.00 O ATOM 1152 CB SER A 78 -11.262 -9.284 -0.252 1.00 0.00 C ATOM 1153 OG SER A 78 -12.362 -8.884 0.547 1.00 0.00 O ATOM 0 H SER A 78 -12.444 -6.954 -2.292 1.00 0.00 H new ATOM 0 HA SER A 78 -10.531 -7.562 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.371 -10.333 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.340 -9.199 0.324 1.00 0.00 H new ATOM 0 HG SER A 78 -13.147 -9.423 0.316 1.00 0.00 H new ATOM 1159 N GLU A 79 -11.294 -10.037 -3.343 1.00 0.00 N ATOM 1160 CA GLU A 79 -10.775 -10.856 -4.431 1.00 0.00 C ATOM 1161 C GLU A 79 -10.488 -10.004 -5.661 1.00 0.00 C ATOM 1162 O GLU A 79 -11.225 -10.044 -6.646 1.00 0.00 O ATOM 1163 CB GLU A 79 -11.771 -11.962 -4.786 1.00 0.00 C ATOM 1164 CG GLU A 79 -11.663 -13.187 -3.893 1.00 0.00 C ATOM 1165 CD GLU A 79 -12.688 -14.250 -4.235 1.00 0.00 C ATOM 1166 OE1 GLU A 79 -13.727 -13.902 -4.836 1.00 0.00 O ATOM 1167 OE2 GLU A 79 -12.452 -15.431 -3.903 1.00 0.00 O ATOM 0 H GLU A 79 -12.295 -10.140 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.842 -11.310 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.783 -11.563 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.613 -12.263 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.662 -13.610 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.790 -12.886 -2.853 1.00 0.00 H new ATOM 1174 N GLY A 80 -9.410 -9.232 -5.592 1.00 0.00 N ATOM 1175 CA GLY A 80 -9.033 -8.374 -6.698 1.00 0.00 C ATOM 1176 C GLY A 80 -7.852 -7.487 -6.357 1.00 0.00 C ATOM 1177 O GLY A 80 -6.700 -7.858 -6.589 1.00 0.00 O ATOM 0 H GLY A 80 -8.788 -9.185 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.786 -8.988 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.883 -7.752 -6.980 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.136 -6.318 -5.792 1.00 0.00 N ATOM 1182 CA LEU A 81 -7.086 -5.384 -5.406 1.00 0.00 C ATOM 1183 C LEU A 81 -6.181 -5.998 -4.344 1.00 0.00 C ATOM 1184 O LEU A 81 -4.963 -5.820 -4.372 1.00 0.00 O ATOM 1185 CB LEU A 81 -7.694 -4.080 -4.886 1.00 0.00 C ATOM 1186 CG LEU A 81 -8.349 -4.165 -3.506 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.540 -2.772 -2.928 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -9.680 -4.899 -3.588 1.00 0.00 C ATOM 0 H LEU A 81 -9.083 -5.996 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.486 -5.165 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.911 -3.322 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.440 -3.736 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.691 -4.728 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.007 -2.846 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.571 -2.282 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.179 -2.188 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.130 -4.949 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.349 -4.365 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.516 -5.909 -3.963 1.00 0.00 H new ATOM 1200 N VAL A 82 -6.785 -6.731 -3.416 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.037 -7.381 -2.346 1.00 0.00 C ATOM 1202 C VAL A 82 -5.061 -8.408 -2.911 1.00 0.00 C ATOM 1203 O VAL A 82 -4.029 -8.697 -2.307 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.973 -8.083 -1.342 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -6.193 -8.559 -0.127 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -8.108 -7.161 -0.925 1.00 0.00 C ATOM 0 H VAL A 82 -7.792 -6.890 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.486 -6.597 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.408 -8.954 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.871 -9.052 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.422 -9.262 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.726 -7.705 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.755 -7.678 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.697 -6.267 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.687 -6.876 -1.804 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.393 -8.952 -4.078 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.536 -9.940 -4.706 1.00 0.00 C ATOM 1218 C GLY A 83 -3.235 -9.341 -5.201 1.00 0.00 C ATOM 1219 O GLY A 83 -2.181 -9.972 -5.114 1.00 0.00 O ATOM 0 H GLY A 83 -6.240 -8.726 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.319 -10.735 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.065 -10.397 -5.543 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.307 -8.120 -5.720 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.121 -7.433 -6.218 1.00 0.00 C ATOM 1225 C ALA A 84 -1.143 -7.145 -5.083 1.00 0.00 C ATOM 1226 O ALA A 84 0.040 -7.473 -5.171 1.00 0.00 O ATOM 1227 CB ALA A 84 -2.512 -6.145 -6.924 1.00 0.00 C ATOM 0 H ALA A 84 -4.172 -7.587 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.625 -8.086 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.616 -5.644 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.168 -6.375 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.034 -5.491 -6.225 1.00 0.00 H new ATOM 1233 N LEU A 85 -1.649 -6.536 -4.015 1.00 0.00 N ATOM 1234 CA LEU A 85 -0.826 -6.214 -2.855 1.00 0.00 C ATOM 1235 C LEU A 85 -0.222 -7.479 -2.254 1.00 0.00 C ATOM 1236 O LEU A 85 0.953 -7.504 -1.889 1.00 0.00 O ATOM 1237 CB LEU A 85 -1.660 -5.483 -1.801 1.00 0.00 C ATOM 1238 CG LEU A 85 -0.948 -5.229 -0.470 1.00 0.00 C ATOM 1239 CD1 LEU A 85 0.372 -4.510 -0.698 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.840 -4.426 0.463 1.00 0.00 C ATOM 0 H LEU A 85 -2.626 -6.256 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.015 -5.563 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.979 -4.526 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.562 -6.063 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.736 -6.191 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.863 -4.338 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.015 -5.122 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.186 -3.554 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.320 -4.254 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.081 -3.469 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.760 -4.979 0.653 1.00 0.00 H new ATOM 1252 N MET A 86 -1.031 -8.531 -2.163 1.00 0.00 N ATOM 1253 CA MET A 86 -0.566 -9.803 -1.622 1.00 0.00 C ATOM 1254 C MET A 86 0.696 -10.255 -2.345 1.00 0.00 C ATOM 1255 O MET A 86 1.617 -10.794 -1.732 1.00 0.00 O ATOM 1256 CB MET A 86 -1.656 -10.868 -1.753 1.00 0.00 C ATOM 1257 CG MET A 86 -2.537 -10.989 -0.521 1.00 0.00 C ATOM 1258 SD MET A 86 -2.992 -12.695 -0.158 1.00 0.00 S ATOM 1259 CE MET A 86 -4.300 -12.958 -1.352 1.00 0.00 C ATOM 0 H MET A 86 -2.008 -8.527 -2.456 1.00 0.00 H new ATOM 0 HA MET A 86 -0.336 -9.666 -0.565 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.281 -10.633 -2.615 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.188 -11.832 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.015 -10.566 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.442 -10.399 -0.667 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.685 -13.973 -1.252 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.105 -12.245 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.907 -12.817 -2.359 1.00 0.00 H new ATOM 1269 N HIS A 87 0.734 -10.013 -3.651 1.00 0.00 N ATOM 1270 CA HIS A 87 1.895 -10.358 -4.459 1.00 0.00 C ATOM 1271 C HIS A 87 3.070 -9.461 -4.101 1.00 0.00 C ATOM 1272 O HIS A 87 4.189 -9.933 -3.894 1.00 0.00 O ATOM 1273 CB HIS A 87 1.563 -10.211 -5.944 1.00 0.00 C ATOM 1274 CG HIS A 87 2.158 -11.282 -6.803 1.00 0.00 C ATOM 1275 ND1 HIS A 87 1.657 -11.617 -8.044 1.00 0.00 N ATOM 1276 CD2 HIS A 87 3.222 -12.095 -6.598 1.00 0.00 C ATOM 1277 CE1 HIS A 87 2.385 -12.590 -8.563 1.00 0.00 C ATOM 1278 NE2 HIS A 87 3.340 -12.897 -7.706 1.00 0.00 N ATOM 0 H HIS A 87 -0.028 -9.579 -4.172 1.00 0.00 H new ATOM 0 HA HIS A 87 2.167 -11.394 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.480 -10.219 -6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.917 -9.240 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.859 -12.110 -5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.225 -13.055 -9.525 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.051 -13.615 -7.844 1.00 0.00 H new ATOM 1287 N VAL A 88 2.801 -8.163 -4.018 1.00 0.00 N ATOM 1288 CA VAL A 88 3.824 -7.192 -3.661 1.00 0.00 C ATOM 1289 C VAL A 88 4.528 -7.603 -2.374 1.00 0.00 C ATOM 1290 O VAL A 88 5.746 -7.477 -2.252 1.00 0.00 O ATOM 1291 CB VAL A 88 3.219 -5.786 -3.483 1.00 0.00 C ATOM 1292 CG1 VAL A 88 4.287 -4.785 -3.072 1.00 0.00 C ATOM 1293 CG2 VAL A 88 2.522 -5.341 -4.759 1.00 0.00 C ATOM 0 H VAL A 88 1.881 -7.760 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 88 4.547 -7.164 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 88 2.477 -5.831 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.836 -3.800 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.734 -5.097 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.058 -4.740 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.101 -4.346 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.242 -5.316 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.723 -6.042 -5.001 1.00 0.00 H new ATOM 1303 N MET A 89 3.749 -8.090 -1.414 1.00 0.00 N ATOM 1304 CA MET A 89 4.301 -8.534 -0.139 1.00 0.00 C ATOM 1305 C MET A 89 5.229 -9.723 -0.349 1.00 0.00 C ATOM 1306 O MET A 89 6.270 -9.836 0.299 1.00 0.00 O ATOM 1307 CB MET A 89 3.176 -8.912 0.827 1.00 0.00 C ATOM 1308 CG MET A 89 2.225 -7.766 1.131 1.00 0.00 C ATOM 1309 SD MET A 89 3.083 -6.271 1.660 1.00 0.00 S ATOM 1310 CE MET A 89 3.934 -6.867 3.119 1.00 0.00 C ATOM 0 H MET A 89 2.737 -8.187 -1.494 1.00 0.00 H new ATOM 0 HA MET A 89 4.873 -7.713 0.293 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.609 -9.741 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.613 -9.267 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.633 -7.545 0.243 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.528 -8.075 1.910 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.912 -6.099 3.892 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.440 -7.767 3.486 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.969 -7.098 2.867 1.00 0.00 H new ATOM 1320 N GLN A 90 4.846 -10.606 -1.265 1.00 0.00 N ATOM 1321 CA GLN A 90 5.653 -11.776 -1.585 1.00 0.00 C ATOM 1322 C GLN A 90 7.003 -11.359 -2.161 1.00 0.00 C ATOM 1323 O GLN A 90 7.972 -12.115 -2.109 1.00 0.00 O ATOM 1324 CB GLN A 90 4.914 -12.677 -2.576 1.00 0.00 C ATOM 1325 CG GLN A 90 3.591 -13.204 -2.044 1.00 0.00 C ATOM 1326 CD GLN A 90 2.669 -13.691 -3.144 1.00 0.00 C ATOM 1327 OE1 GLN A 90 2.961 -13.537 -4.330 1.00 0.00 O ATOM 1328 NE2 GLN A 90 1.545 -14.282 -2.754 1.00 0.00 N ATOM 0 H GLN A 90 3.980 -10.533 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 90 5.827 -12.333 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.731 -12.120 -3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.554 -13.520 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.784 -14.021 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.092 -12.416 -1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.343 -14.389 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.884 -14.629 -3.449 1.00 0.00 H new ATOM 1337 N LYS A 91 7.070 -10.129 -2.664 1.00 0.00 N ATOM 1338 CA LYS A 91 8.295 -9.599 -3.241 1.00 0.00 C ATOM 1339 C LYS A 91 9.359 -9.403 -2.172 1.00 0.00 C ATOM 1340 O LYS A 91 10.439 -9.990 -2.232 1.00 0.00 O ATOM 1341 CB LYS A 91 7.993 -8.254 -3.889 1.00 0.00 C ATOM 1342 CG LYS A 91 8.876 -7.943 -5.071 1.00 0.00 C ATOM 1343 CD LYS A 91 8.150 -8.221 -6.373 1.00 0.00 C ATOM 1344 CE LYS A 91 8.764 -7.456 -7.533 1.00 0.00 C ATOM 1345 NZ LYS A 91 10.152 -7.909 -7.826 1.00 0.00 N ATOM 0 H LYS A 91 6.283 -9.480 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 91 8.669 -10.308 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.952 -8.240 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.107 -7.467 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.183 -6.898 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.784 -8.544 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.180 -9.290 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.100 -7.946 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.145 -7.585 -8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.771 -6.391 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.535 -7.362 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.749 -7.762 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.143 -8.919 -8.072 1.00 0.00 H new ATOM 1359 N ARG A 92 9.012 -8.616 -1.166 1.00 0.00 N ATOM 1360 CA ARG A 92 9.915 -8.323 -0.067 1.00 0.00 C ATOM 1361 C ARG A 92 10.127 -9.556 0.802 1.00 0.00 C ATOM 1362 O ARG A 92 11.169 -9.708 1.440 1.00 0.00 O ATOM 1363 CB ARG A 92 9.335 -7.190 0.775 1.00 0.00 C ATOM 1364 CG ARG A 92 10.217 -6.778 1.934 1.00 0.00 C ATOM 1365 CD ARG A 92 11.058 -5.563 1.582 1.00 0.00 C ATOM 1366 NE ARG A 92 12.394 -5.636 2.167 1.00 0.00 N ATOM 1367 CZ ARG A 92 12.628 -5.611 3.475 1.00 0.00 C ATOM 1368 NH1 ARG A 92 11.619 -5.503 4.329 1.00 0.00 N ATOM 1369 NH2 ARG A 92 13.871 -5.678 3.930 1.00 0.00 N ATOM 0 H ARG A 92 8.101 -8.165 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 92 10.880 -8.022 -0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.164 -6.325 0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.363 -7.497 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.598 -6.555 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.869 -7.607 2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.141 -5.481 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.557 -4.661 1.933 1.00 0.00 H new ATOM 0 HE ARG A 92 13.192 -5.710 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.662 -5.439 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.800 -5.484 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.650 -5.749 3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.048 -5.659 4.934 1.00 0.00 H new ATOM 1383 N SER A 93 9.139 -10.442 0.805 1.00 0.00 N ATOM 1384 CA SER A 93 9.224 -11.676 1.575 1.00 0.00 C ATOM 1385 C SER A 93 10.143 -12.671 0.879 1.00 0.00 C ATOM 1386 O SER A 93 10.906 -13.388 1.526 1.00 0.00 O ATOM 1387 CB SER A 93 7.834 -12.289 1.752 1.00 0.00 C ATOM 1388 OG SER A 93 7.206 -11.802 2.925 1.00 0.00 O ATOM 0 H SER A 93 8.270 -10.329 0.283 1.00 0.00 H new ATOM 0 HA SER A 93 9.635 -11.442 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.218 -12.057 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.916 -13.375 1.804 1.00 0.00 H new ATOM 0 HG SER A 93 6.319 -12.208 3.014 1.00 0.00 H new ATOM 1394 N ARG A 94 10.069 -12.700 -0.448 1.00 0.00 N ATOM 1395 CA ARG A 94 10.905 -13.591 -1.242 1.00 0.00 C ATOM 1396 C ARG A 94 12.068 -12.832 -1.876 1.00 0.00 C ATOM 1397 O ARG A 94 12.672 -13.299 -2.842 1.00 0.00 O ATOM 1398 CB ARG A 94 10.074 -14.264 -2.334 1.00 0.00 C ATOM 1399 CG ARG A 94 9.135 -15.341 -1.812 1.00 0.00 C ATOM 1400 CD ARG A 94 9.901 -16.553 -1.308 1.00 0.00 C ATOM 1401 NE ARG A 94 9.100 -17.366 -0.397 1.00 0.00 N ATOM 1402 CZ ARG A 94 9.492 -18.546 0.074 1.00 0.00 C ATOM 1403 NH1 ARG A 94 10.668 -19.045 -0.279 1.00 0.00 N ATOM 1404 NH2 ARG A 94 8.707 -19.227 0.898 1.00 0.00 N ATOM 0 H ARG A 94 9.438 -12.116 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 94 11.310 -14.352 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.489 -13.505 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.746 -14.706 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.525 -14.934 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.452 -15.645 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.215 -17.162 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 94 10.807 -16.224 -0.799 1.00 0.00 H new ATOM 0 HE ARG A 94 8.190 -17.009 -0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.274 -18.524 -0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.967 -19.950 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.801 -18.846 1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.009 -20.132 1.259 1.00 0.00 H new ATOM 1418 N ALA A 95 12.390 -11.668 -1.318 1.00 0.00 N ATOM 1419 CA ALA A 95 13.478 -10.847 -1.837 1.00 0.00 C ATOM 1420 C ALA A 95 14.836 -11.460 -1.505 1.00 0.00 C ATOM 1421 O ALA A 95 14.937 -12.346 -0.656 1.00 0.00 O ATOM 1422 CB ALA A 95 13.384 -9.436 -1.278 1.00 0.00 C ATOM 0 H ALA A 95 11.913 -11.273 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 95 13.384 -10.805 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.202 -8.833 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 95 12.432 -8.992 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.451 -9.470 -0.191 1.00 0.00 H new ATOM 1428 N ILE A 96 15.875 -10.987 -2.186 1.00 0.00 N ATOM 1429 CA ILE A 96 17.225 -11.496 -1.974 1.00 0.00 C ATOM 1430 C ILE A 96 17.899 -10.808 -0.792 1.00 0.00 C ATOM 1431 O ILE A 96 18.514 -9.752 -0.943 1.00 0.00 O ATOM 1432 CB ILE A 96 18.099 -11.308 -3.227 1.00 0.00 C ATOM 1433 CG1 ILE A 96 19.499 -11.883 -2.994 1.00 0.00 C ATOM 1434 CG2 ILE A 96 18.182 -9.835 -3.600 1.00 0.00 C ATOM 1435 CD1 ILE A 96 19.492 -13.283 -2.419 1.00 0.00 C ATOM 0 H ILE A 96 15.808 -10.252 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 96 17.128 -12.561 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 96 17.639 -11.848 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 96 20.041 -11.890 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 96 20.045 -11.225 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 96 18.804 -9.719 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 96 17.181 -9.455 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 96 18.621 -9.275 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 96 20.518 -13.625 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 96 18.978 -13.279 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 96 18.975 -13.955 -3.104 1.00 0.00 H new ATOM 1447 N HIS A 97 17.776 -11.413 0.384 1.00 0.00 N ATOM 1448 CA HIS A 97 18.377 -10.873 1.602 1.00 0.00 C ATOM 1449 C HIS A 97 17.674 -9.594 2.054 1.00 0.00 C ATOM 1450 O HIS A 97 17.161 -9.525 3.171 1.00 0.00 O ATOM 1451 CB HIS A 97 19.872 -10.610 1.394 1.00 0.00 C ATOM 1452 CG HIS A 97 20.750 -11.657 2.004 1.00 0.00 C ATOM 1453 ND1 HIS A 97 21.298 -11.537 3.264 1.00 0.00 N ATOM 1454 CD2 HIS A 97 21.175 -12.849 1.523 1.00 0.00 C ATOM 1455 CE1 HIS A 97 22.022 -12.609 3.532 1.00 0.00 C ATOM 1456 NE2 HIS A 97 21.963 -13.420 2.492 1.00 0.00 N ATOM 0 H HIS A 97 17.262 -12.283 0.522 1.00 0.00 H new ATOM 0 HA HIS A 97 18.255 -11.619 2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 97 20.078 -10.551 0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 97 20.126 -9.640 1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 97 20.939 -13.272 0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 97 22.569 -12.791 4.446 1.00 0.00 H new ATOM 0 HE2 HIS A 97 22.428 -14.325 2.420 1.00 0.00 H new ATOM 1465 N SER A 98 17.655 -8.579 1.192 1.00 0.00 N ATOM 1466 CA SER A 98 17.018 -7.312 1.528 1.00 0.00 C ATOM 1467 C SER A 98 17.184 -6.301 0.399 1.00 0.00 C ATOM 1468 O SER A 98 18.057 -5.435 0.452 1.00 0.00 O ATOM 1469 CB SER A 98 17.613 -6.751 2.821 1.00 0.00 C ATOM 1470 OG SER A 98 17.147 -5.436 3.069 1.00 0.00 O ATOM 0 H SER A 98 18.071 -8.611 0.261 1.00 0.00 H new ATOM 0 HA SER A 98 15.953 -7.495 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.348 -7.398 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.701 -6.748 2.753 1.00 0.00 H new ATOM 0 HG SER A 98 17.541 -5.101 3.902 1.00 0.00 H new ATOM 1476 N SER A 99 16.340 -6.415 -0.621 1.00 0.00 N ATOM 1477 CA SER A 99 16.394 -5.507 -1.761 1.00 0.00 C ATOM 1478 C SER A 99 15.964 -4.101 -1.356 1.00 0.00 C ATOM 1479 O SER A 99 15.185 -3.924 -0.421 1.00 0.00 O ATOM 1480 CB SER A 99 15.498 -6.021 -2.890 1.00 0.00 C ATOM 1481 OG SER A 99 14.141 -6.068 -2.485 1.00 0.00 O ATOM 0 H SER A 99 15.611 -7.126 -0.682 1.00 0.00 H new ATOM 0 HA SER A 99 17.425 -5.465 -2.114 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.598 -5.373 -3.761 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.825 -7.016 -3.193 1.00 0.00 H new ATOM 0 HG SER A 99 13.590 -6.398 -3.225 1.00 0.00 H new ATOM 1487 N ASP A 100 16.477 -3.103 -2.070 1.00 0.00 N ATOM 1488 CA ASP A 100 16.147 -1.712 -1.785 1.00 0.00 C ATOM 1489 C ASP A 100 16.296 -0.852 -3.035 1.00 0.00 C ATOM 1490 O ASP A 100 15.423 -0.044 -3.352 1.00 0.00 O ATOM 1491 CB ASP A 100 17.046 -1.171 -0.671 1.00 0.00 C ATOM 1492 CG ASP A 100 16.560 0.160 -0.132 1.00 0.00 C ATOM 1493 OD1 ASP A 100 15.333 0.392 -0.142 1.00 0.00 O ATOM 1494 OD2 ASP A 100 17.407 0.971 0.298 1.00 0.00 O ATOM 0 H ASP A 100 17.122 -3.232 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 100 15.108 -1.670 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.088 -1.896 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.062 -1.057 -1.050 1.00 0.00 H new ATOM 1499 N GLU A 101 17.405 -1.035 -3.743 1.00 0.00 N ATOM 1500 CA GLU A 101 17.666 -0.279 -4.962 1.00 0.00 C ATOM 1501 C GLU A 101 18.294 -1.169 -6.028 1.00 0.00 C ATOM 1502 O GLU A 101 19.172 -1.982 -5.735 1.00 0.00 O ATOM 1503 CB GLU A 101 18.585 0.908 -4.664 1.00 0.00 C ATOM 1504 CG GLU A 101 19.962 0.502 -4.163 1.00 0.00 C ATOM 1505 CD GLU A 101 21.080 1.257 -4.855 1.00 0.00 C ATOM 1506 OE1 GLU A 101 21.193 1.147 -6.094 1.00 0.00 O ATOM 1507 OE2 GLU A 101 21.842 1.960 -4.158 1.00 0.00 O ATOM 0 H GLU A 101 18.137 -1.700 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 101 16.714 0.094 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.698 1.505 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.110 1.546 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.020 0.678 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 101 20.100 -0.568 -4.319 1.00 0.00 H new ATOM 1514 N GLY A 102 17.837 -1.014 -7.266 1.00 0.00 N ATOM 1515 CA GLY A 102 18.365 -1.810 -8.358 1.00 0.00 C ATOM 1516 C GLY A 102 18.708 -0.971 -9.573 1.00 0.00 C ATOM 1517 O GLY A 102 18.699 0.258 -9.509 1.00 0.00 O ATOM 0 H GLY A 102 17.110 -0.351 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 102 19.257 -2.338 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 102 17.633 -2.568 -8.638 1.00 0.00 H new ATOM 1521 N GLU A 103 19.012 -1.637 -10.682 1.00 0.00 N ATOM 1522 CA GLU A 103 19.361 -0.945 -11.917 1.00 0.00 C ATOM 1523 C GLU A 103 18.194 -0.965 -12.899 1.00 0.00 C ATOM 1524 O GLU A 103 17.626 -2.020 -13.183 1.00 0.00 O ATOM 1525 CB GLU A 103 20.592 -1.591 -12.555 1.00 0.00 C ATOM 1526 CG GLU A 103 21.837 -0.721 -12.489 1.00 0.00 C ATOM 1527 CD GLU A 103 22.794 -1.156 -11.397 1.00 0.00 C ATOM 1528 OE1 GLU A 103 22.446 -1.003 -10.207 1.00 0.00 O ATOM 1529 OE2 GLU A 103 23.891 -1.652 -11.731 1.00 0.00 O ATOM 0 H GLU A 103 19.024 -2.655 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 103 19.589 0.093 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.794 -2.539 -12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.373 -1.819 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU A 103 22.350 -0.753 -13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.543 0.315 -12.319 1.00 0.00 H new ATOM 1536 N ASP A 104 17.840 0.208 -13.413 1.00 0.00 N ATOM 1537 CA ASP A 104 16.739 0.326 -14.361 1.00 0.00 C ATOM 1538 C ASP A 104 16.733 1.702 -15.019 1.00 0.00 C ATOM 1539 O ASP A 104 17.364 2.637 -14.529 1.00 0.00 O ATOM 1540 CB ASP A 104 15.404 0.078 -13.656 1.00 0.00 C ATOM 1541 CG ASP A 104 15.257 0.900 -12.391 1.00 0.00 C ATOM 1542 OD1 ASP A 104 15.517 2.120 -12.441 1.00 0.00 O ATOM 1543 OD2 ASP A 104 14.882 0.322 -11.348 1.00 0.00 O ATOM 0 H ASP A 104 18.300 1.090 -13.189 1.00 0.00 H new ATOM 0 HA ASP A 104 16.877 -0.427 -15.137 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.587 0.315 -14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 104 15.317 -0.980 -13.410 1.00 0.00 H new ATOM 1548 N GLN A 105 16.016 1.817 -16.132 1.00 0.00 N ATOM 1549 CA GLN A 105 15.930 3.079 -16.858 1.00 0.00 C ATOM 1550 C GLN A 105 14.531 3.676 -16.751 1.00 0.00 C ATOM 1551 O GLN A 105 14.309 4.634 -16.010 1.00 0.00 O ATOM 1552 CB GLN A 105 16.295 2.872 -18.329 1.00 0.00 C ATOM 1553 CG GLN A 105 17.717 3.289 -18.667 1.00 0.00 C ATOM 1554 CD GLN A 105 18.753 2.544 -17.849 1.00 0.00 C ATOM 1555 OE1 GLN A 105 19.012 2.884 -16.695 1.00 0.00 O ATOM 1556 NE2 GLN A 105 19.352 1.519 -18.446 1.00 0.00 N ATOM 0 H GLN A 105 15.486 1.052 -16.551 1.00 0.00 H new ATOM 0 HA GLN A 105 16.638 3.775 -16.408 1.00 0.00 H new ATOM 0 HB2 GLN A 105 16.164 1.820 -18.583 1.00 0.00 H new ATOM 0 HB3 GLN A 105 15.602 3.439 -18.950 1.00 0.00 H new ATOM 0 HG2 GLN A 105 17.901 3.113 -19.727 1.00 0.00 H new ATOM 0 HG3 GLN A 105 17.828 4.360 -18.498 1.00 0.00 H new ATOM 0 HE21 GLN A 105 19.106 1.272 -19.405 1.00 0.00 H new ATOM 0 HE22 GLN A 105 20.058 0.979 -17.946 1.00 0.00 H new ATOM 1565 N ALA A 106 13.590 3.105 -17.496 1.00 0.00 N ATOM 1566 CA ALA A 106 12.213 3.582 -17.487 1.00 0.00 C ATOM 1567 C ALA A 106 11.452 3.039 -16.282 1.00 0.00 C ATOM 1568 O ALA A 106 11.032 1.882 -16.270 1.00 0.00 O ATOM 1569 CB ALA A 106 11.511 3.191 -18.778 1.00 0.00 C ATOM 0 H ALA A 106 13.757 2.311 -18.114 1.00 0.00 H new ATOM 0 HA ALA A 106 12.231 4.669 -17.412 1.00 0.00 H new ATOM 0 HB1 ALA A 106 10.483 3.554 -18.758 1.00 0.00 H new ATOM 0 HB2 ALA A 106 12.035 3.633 -19.625 1.00 0.00 H new ATOM 0 HB3 ALA A 106 11.511 2.106 -18.878 1.00 0.00 H new ATOM 1575 N GLY A 107 11.280 3.881 -15.268 1.00 0.00 N ATOM 1576 CA GLY A 107 10.570 3.467 -14.072 1.00 0.00 C ATOM 1577 C GLY A 107 9.924 4.632 -13.347 1.00 0.00 C ATOM 1578 O GLY A 107 10.203 5.791 -13.719 1.00 0.00 O ATOM 1579 OXT GLY A 107 9.141 4.385 -12.406 1.00 0.00 O ATOM 0 H GLY A 107 11.620 4.843 -15.253 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.803 2.741 -14.342 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.263 2.963 -13.398 1.00 0.00 H new TER 1583 GLY A 107