USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 101 SER OG : rot -77:sc= 1.12 USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= 0.793 USER MOD Set 2.1: A 59 SER OG : rot 113:sc= 1.02 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.878 USER MOD Single : A 38 GLN : amide:sc= -0.0634 X(o=-0.063,f=-0.064) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -57:sc= 0.624 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.13 K(o=1.1,f=-9.4!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 54 SER OG : rot 180:sc= -0.109 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -140:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 105:sc= 0.0237 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.746 K(o=0.75,f=-0.32) USER MOD Single : A 90 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.11) USER MOD Single : A 91 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.24) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 109:sc= 1.21 USER MOD Single : A 107 SER OG : rot -170:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.237 X(o=0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 38 2.422 1.724 -3.140 1.00 0.00 N0 ATOM 2 CA GLN A 38 3.276 1.359 -2.015 1.00 0.00 C0 ATOM 3 C GLN A 38 4.026 2.572 -1.479 1.00 0.00 C0 ATOM 4 O GLN A 38 4.069 3.621 -2.121 1.00 0.00 O0 ATOM 5 CB GLN A 38 4.270 0.270 -2.427 1.00 0.00 C0 ATOM 6 CG GLN A 38 3.618 -1.025 -2.885 1.00 0.00 C0 ATOM 7 CD GLN A 38 2.823 -1.695 -1.780 1.00 0.00 C0 ATOM 8 OE1 GLN A 38 3.348 -1.969 -0.697 1.00 0.00 O0 ATOM 9 NE2 GLN A 38 1.550 -1.962 -2.048 1.00 0.00 N0 ATOM 0 HA GLN A 38 2.635 0.973 -1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.898 0.652 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.927 0.055 -1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.959 -0.818 -3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.388 -1.710 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.158 -1.718 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.964 -2.411 -1.344 1.00 0.00 H new ATOM 18 N ALA A 39 4.618 2.420 -0.299 1.00 0.00 N0 ATOM 19 CA ALA A 39 5.385 3.497 0.317 1.00 0.00 C0 ATOM 20 C ALA A 39 6.706 3.716 -0.409 1.00 0.00 C0 ATOM 21 O ALA A 39 7.321 2.768 -0.900 1.00 0.00 O0 ATOM 22 CB ALA A 39 5.633 3.195 1.788 1.00 0.00 C0 ATOM 0 H ALA A 39 4.581 1.561 0.250 1.00 0.00 H new ATOM 0 HA ALA A 39 4.802 4.414 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.206 4.007 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.679 3.097 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.192 2.264 1.879 1.00 0.00 H new ATOM 28 N PRO A 40 7.139 4.971 -0.474 1.00 0.00 N0 ATOM 29 CA PRO A 40 8.387 5.316 -1.144 1.00 0.00 C0 ATOM 30 C PRO A 40 9.593 4.935 -0.295 1.00 0.00 C0 ATOM 31 O PRO A 40 9.495 4.833 0.927 1.00 0.00 O0 ATOM 32 CB PRO A 40 8.274 6.835 -1.318 1.00 0.00 C0 ATOM 33 CG PRO A 40 7.450 7.274 -0.156 1.00 0.00 C0 ATOM 34 CD PRO A 40 6.431 6.180 0.017 1.00 0.00 C0 ATOM 0 HA PRO A 40 8.531 4.790 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.255 7.311 -1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.799 7.094 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.059 7.394 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.972 8.235 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.129 6.073 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.527 6.378 -0.559 1.00 0.00 H new ATOM 42 N LYS A 41 10.729 4.726 -0.952 1.00 0.00 N0 ATOM 43 CA LYS A 41 11.973 4.425 -0.253 1.00 0.00 C0 ATOM 44 C LYS A 41 12.386 5.576 0.657 1.00 0.00 C0 ATOM 45 O LYS A 41 12.527 6.713 0.210 1.00 0.00 O0 ATOM 46 CB LYS A 41 13.088 4.118 -1.253 1.00 0.00 C0 ATOM 47 CG LYS A 41 14.408 3.704 -0.616 1.00 0.00 C0 ATOM 48 CD LYS A 41 15.446 3.355 -1.671 1.00 0.00 C0 ATOM 49 CE LYS A 41 16.766 2.942 -1.037 1.00 0.00 C0 ATOM 50 NZ LYS A 41 17.791 2.596 -2.059 1.00 0.00 N0 ATOM 0 H LYS A 41 10.814 4.760 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 41 11.803 3.545 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.754 3.322 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.258 4.999 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.782 4.514 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.246 2.845 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.072 2.545 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.607 4.213 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.137 3.754 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.602 2.085 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.675 2.320 -1.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.448 1.805 -2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.967 3.421 -2.667 1.00 0.00 H new ATOM 64 N GLY A 42 12.579 5.271 1.936 1.00 0.00 N0 ATOM 65 CA GLY A 42 12.914 6.291 2.923 1.00 0.00 C0 ATOM 66 C GLY A 42 11.731 6.578 3.840 1.00 0.00 C0 ATOM 67 O GLY A 42 11.829 7.392 4.758 1.00 0.00 O0 ATOM 0 H GLY A 42 12.509 4.326 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.766 5.961 3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.215 7.207 2.415 1.00 0.00 H new ATOM 71 N SER A 43 10.614 5.906 3.585 1.00 0.00 N0 ATOM 72 CA SER A 43 9.401 6.109 4.369 1.00 0.00 C0 ATOM 73 C SER A 43 9.571 5.588 5.789 1.00 0.00 C0 ATOM 74 O SER A 43 10.467 4.791 6.067 1.00 0.00 O0 ATOM 75 CB SER A 43 8.227 5.419 3.703 1.00 0.00 C0 ATOM 76 OG SER A 43 8.372 4.026 3.751 1.00 0.00 O0 ATOM 0 H SER A 43 10.523 5.215 2.840 1.00 0.00 H new ATOM 0 HA SER A 43 9.208 7.181 4.419 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.301 5.709 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.149 5.745 2.666 1.00 0.00 H new ATOM 0 HG SER A 43 9.217 3.770 3.326 1.00 0.00 H new ATOM 82 N ALA A 44 8.704 6.044 6.688 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.731 5.594 8.075 1.00 0.00 C0 ATOM 84 C ALA A 44 7.385 5.815 8.752 1.00 0.00 C0 ATOM 85 O ALA A 44 6.661 6.755 8.423 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.834 6.309 8.843 1.00 0.00 C0 ATOM 0 H ALA A 44 7.974 6.725 6.480 1.00 0.00 H new ATOM 0 HA ALA A 44 8.937 4.524 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.841 5.962 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.797 6.093 8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.654 7.384 8.822 1.00 0.00 H new ATOM 92 N PHE A 45 7.054 4.945 9.699 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.770 5.010 10.386 1.00 0.00 C0 ATOM 94 C PHE A 45 5.955 5.059 11.898 1.00 0.00 C0 ATOM 95 O PHE A 45 6.846 4.410 12.445 1.00 0.00 O0 ATOM 96 CB PHE A 45 4.902 3.806 10.012 1.00 0.00 C0 ATOM 97 CG PHE A 45 4.561 3.734 8.551 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 5.425 3.126 7.652 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 3.378 4.276 8.073 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 5.113 3.059 6.308 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 3.062 4.210 6.730 1.00 0.00 C0 ATOM 102 CZ PHE A 45 3.932 3.602 5.847 1.00 0.00 C0 ATOM 0 H PHE A 45 7.659 4.184 10.009 1.00 0.00 H new ATOM 0 HA PHE A 45 5.271 5.926 10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.422 2.892 10.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.978 3.843 10.590 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.352 2.700 8.007 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.695 4.756 8.759 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.794 2.582 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.136 4.633 6.371 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.688 3.552 4.796 1.00 0.00 H new ATOM 112 N VAL A 46 5.108 5.835 12.567 1.00 0.00 N0 ATOM 113 CA VAL A 46 5.111 5.894 14.024 1.00 0.00 C0 ATOM 114 C VAL A 46 3.730 5.588 14.590 1.00 0.00 C0 ATOM 115 O VAL A 46 2.739 6.209 14.203 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.564 7.287 14.501 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 5.507 7.372 16.019 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 6.969 7.574 13.996 1.00 0.00 C0 ATOM 0 H VAL A 46 4.410 6.432 12.123 1.00 0.00 H new ATOM 0 HA VAL A 46 5.810 5.140 14.386 1.00 0.00 H new ATOM 0 HB VAL A 46 4.888 8.039 14.095 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.830 8.362 16.340 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.485 7.197 16.355 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.165 6.618 16.451 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.284 8.560 14.337 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.655 6.821 14.382 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.977 7.547 12.906 1.00 0.00 H new ATOM 128 N ARG A 47 3.672 4.631 15.510 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.409 4.229 16.118 1.00 0.00 C0 ATOM 130 C ARG A 47 2.343 4.650 17.580 1.00 0.00 C0 ATOM 131 O ARG A 47 2.913 3.993 18.451 1.00 0.00 O0 ATOM 132 CB ARG A 47 2.223 2.722 16.018 1.00 0.00 C0 ATOM 133 CG ARG A 47 1.000 2.180 16.740 1.00 0.00 C0 ATOM 134 CD ARG A 47 0.726 0.766 16.371 1.00 0.00 C0 ATOM 135 NE ARG A 47 0.239 0.647 15.006 1.00 0.00 N0 ATOM 136 CZ ARG A 47 0.070 -0.520 14.353 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 0.354 -1.654 14.951 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 -0.379 -0.522 13.109 1.00 0.00 N0 ATOM 0 H ARG A 47 4.486 4.119 15.851 1.00 0.00 H new ATOM 0 HA ARG A 47 1.609 4.730 15.573 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.157 2.448 14.965 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.111 2.233 16.420 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.151 2.252 17.817 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.133 2.794 16.498 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.637 0.178 16.484 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.011 0.348 17.057 1.00 0.00 H new ATOM 0 HE ARG A 47 0.009 1.507 14.508 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.702 -1.652 15.910 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.226 -2.537 14.457 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.597 0.359 12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.507 -1.405 12.614 1.00 0.00 H new ATOM 152 N ALA A 48 1.643 5.748 17.842 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.460 6.232 19.206 1.00 0.00 C0 ATOM 154 C ALA A 48 0.559 5.299 20.005 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.347 4.673 19.455 1.00 0.00 O0 ATOM 156 CB ALA A 48 0.887 7.642 19.196 1.00 0.00 C0 ATOM 0 H ALA A 48 1.193 6.320 17.128 1.00 0.00 H new ATOM 0 HA ALA A 48 2.437 6.253 19.689 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.756 7.989 20.221 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.571 8.309 18.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.077 7.639 18.688 1.00 0.00 H new ATOM 162 N TYR A 49 0.812 5.212 21.306 1.00 0.00 N0 ATOM 163 CA TYR A 49 0.002 4.381 22.189 1.00 0.00 C0 ATOM 164 C TYR A 49 -0.128 5.011 23.572 1.00 0.00 C0 ATOM 165 O TYR A 49 0.865 5.420 24.172 1.00 0.00 O0 ATOM 166 CB TYR A 49 0.600 2.976 22.301 1.00 0.00 C0 ATOM 167 CG TYR A 49 -0.172 2.055 23.219 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 -1.401 1.549 22.820 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 0.347 1.717 24.459 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -2.107 0.708 23.659 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 -0.358 0.875 25.298 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -1.580 0.372 24.901 1.00 0.00 C0 ATOM 173 OH TYR A 49 -2.282 -0.466 25.736 1.00 0.00 O0 ATOM 0 H TYR A 49 1.572 5.707 21.773 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.995 4.305 21.755 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.644 2.530 21.307 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.626 3.056 22.661 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.806 1.812 21.854 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.303 2.112 24.770 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.064 0.313 23.351 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.047 0.611 26.264 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.776 -0.602 26.564 1.00 0.00 H new ATOM 183 N ASN A 50 -1.358 5.083 24.069 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.616 5.633 25.395 1.00 0.00 C0 ATOM 185 C ASN A 50 -1.656 4.532 26.447 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.664 3.842 26.599 1.00 0.00 O0 ATOM 187 CB ASN A 50 -2.909 6.426 25.402 1.00 0.00 C0 ATOM 188 CG ASN A 50 -3.166 7.101 26.722 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -2.597 6.717 27.750 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -4.011 8.100 26.712 1.00 0.00 N0 ATOM 0 H ASN A 50 -2.192 4.767 23.574 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.796 6.307 25.645 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.874 7.178 24.614 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.741 5.760 25.170 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.224 8.597 27.577 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.457 8.382 25.839 1.00 0.00 H new ATOM 197 N ALA A 51 -0.556 4.373 27.173 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.408 3.264 28.109 1.00 0.00 C0 ATOM 199 C ALA A 51 -0.947 3.630 29.486 1.00 0.00 C0 ATOM 200 O ALA A 51 -0.841 2.849 30.432 1.00 0.00 O0 ATOM 201 CB ALA A 51 1.053 2.845 28.207 1.00 0.00 C0 ATOM 0 H ALA A 51 0.248 4.999 27.132 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.991 2.424 27.731 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.148 2.017 28.909 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.408 2.531 27.225 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.650 3.687 28.557 1.00 0.00 H new ATOM 207 N GLY A 52 -1.527 4.822 29.592 1.00 0.00 N0 ATOM 208 CA GLY A 52 -2.023 5.321 30.868 1.00 0.00 C0 ATOM 209 C GLY A 52 -3.530 5.126 30.988 1.00 0.00 C0 ATOM 210 O GLY A 52 -4.141 4.435 30.173 1.00 0.00 O0 ATOM 0 H GLY A 52 -1.665 5.460 28.808 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.520 4.802 31.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.782 6.379 30.966 1.00 0.00 H new ATOM 214 N ASN A 53 -4.121 5.740 32.006 1.00 0.00 N0 ATOM 215 CA ASN A 53 -5.561 5.655 32.220 1.00 0.00 C0 ATOM 216 C ASN A 53 -6.221 7.018 32.065 1.00 0.00 C0 ATOM 217 O ASN A 53 -7.308 7.256 32.594 1.00 0.00 O0 ATOM 218 CB ASN A 53 -5.865 5.065 33.585 1.00 0.00 C0 ATOM 219 CG ASN A 53 -5.466 3.620 33.692 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -5.939 2.774 32.925 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -4.603 3.321 34.629 1.00 0.00 N0 ATOM 0 H ASN A 53 -3.625 6.303 32.697 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.975 4.994 31.459 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.343 5.640 34.350 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.932 5.160 33.788 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.294 2.356 34.749 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.239 4.053 35.239 1.00 0.00 H new ATOM 228 N SER A 54 -5.559 7.913 31.340 1.00 0.00 N0 ATOM 229 CA SER A 54 -6.102 9.239 31.076 1.00 0.00 C0 ATOM 230 C SER A 54 -5.675 9.747 29.705 1.00 0.00 C0 ATOM 231 O SER A 54 -4.803 9.163 29.060 1.00 0.00 O0 ATOM 232 CB SER A 54 -5.652 10.212 32.149 1.00 0.00 C0 ATOM 233 OG SER A 54 -4.277 10.470 32.046 1.00 0.00 O0 ATOM 0 H SER A 54 -4.643 7.743 30.924 1.00 0.00 H new ATOM 0 HA SER A 54 -7.189 9.165 31.089 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.209 11.144 32.057 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.877 9.803 33.134 1.00 0.00 H new ATOM 0 HG SER A 54 -4.009 11.101 32.746 1.00 0.00 H new ATOM 239 N GLU A 55 -6.292 10.838 29.264 1.00 0.00 N0 ATOM 240 CA GLU A 55 -6.074 11.351 27.916 1.00 0.00 C0 ATOM 241 C GLU A 55 -4.745 12.088 27.816 1.00 0.00 C0 ATOM 242 O GLU A 55 -4.365 12.827 28.724 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.218 12.281 27.508 1.00 0.00 C0 ATOM 244 CG GLU A 55 -8.559 11.584 27.319 1.00 0.00 C0 ATOM 245 CD GLU A 55 -9.662 12.532 26.940 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -9.466 13.718 27.053 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -10.702 12.070 26.535 1.00 0.00 O0 ATOM 0 H GLU A 55 -6.948 11.385 29.821 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.046 10.500 27.236 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.329 13.055 28.267 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.949 12.782 26.578 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.461 10.821 26.547 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.829 11.070 28.242 1.00 0.00 H new ATOM 254 N LEU A 56 -4.044 11.884 26.707 1.00 0.00 N0 ATOM 255 CA LEU A 56 -2.756 12.531 26.485 1.00 0.00 C0 ATOM 256 C LEU A 56 -2.815 13.480 25.294 1.00 0.00 C0 ATOM 257 O LEU A 56 -3.549 13.243 24.336 1.00 0.00 O0 ATOM 258 CB LEU A 56 -1.665 11.478 26.253 1.00 0.00 C0 ATOM 259 CG LEU A 56 -1.397 10.530 27.430 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -0.389 9.469 27.007 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -0.886 11.329 28.619 1.00 0.00 C0 ATOM 0 H LEU A 56 -4.346 11.275 25.947 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.515 13.110 27.376 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.941 10.880 25.384 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.736 11.992 26.005 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.319 10.030 27.724 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.198 8.795 27.842 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.789 8.901 26.167 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.542 9.950 26.709 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.696 10.656 29.455 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.038 11.838 28.345 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.634 12.067 28.910 1.00 0.00 H new ATOM 273 N ASP A 57 -2.037 14.556 25.361 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.900 15.473 24.236 1.00 0.00 C0 ATOM 275 C ASP A 57 -0.545 15.315 23.558 1.00 0.00 C0 ATOM 276 O ASP A 57 0.490 15.653 24.132 1.00 0.00 O0 ATOM 277 CB ASP A 57 -2.079 16.921 24.700 1.00 0.00 C0 ATOM 278 CG ASP A 57 -3.489 17.213 25.198 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -4.383 16.476 24.857 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -3.657 18.172 25.913 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.492 14.814 26.183 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.679 15.229 23.513 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.366 17.133 25.497 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.844 17.593 23.875 1.00 0.00 H new ATOM 285 N VAL A 58 -0.559 14.800 22.334 1.00 0.00 N0 ATOM 286 CA VAL A 58 0.675 14.512 21.610 1.00 0.00 C0 ATOM 287 C VAL A 58 0.656 15.133 20.221 1.00 0.00 C0 ATOM 288 O VAL A 58 -0.392 15.559 19.734 1.00 0.00 O0 ATOM 289 CB VAL A 58 0.878 12.990 21.486 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 0.926 12.345 22.864 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 -0.238 12.386 20.646 1.00 0.00 C0 ATOM 0 H VAL A 58 -1.411 14.573 21.821 1.00 0.00 H new ATOM 0 HA VAL A 58 1.500 14.946 22.175 1.00 0.00 H new ATOM 0 HB VAL A 58 1.830 12.799 20.991 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.070 11.270 22.758 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.753 12.767 23.435 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.011 12.536 23.388 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.088 11.310 20.562 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.199 12.583 21.122 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.227 12.832 19.652 1.00 0.00 H new ATOM 301 N SER A 59 1.821 15.184 19.584 1.00 0.00 N0 ATOM 302 CA SER A 59 1.924 15.656 18.208 1.00 0.00 C0 ATOM 303 C SER A 59 3.122 15.035 17.502 1.00 0.00 C0 ATOM 304 O SER A 59 4.264 15.205 17.930 1.00 0.00 O0 ATOM 305 CB SER A 59 2.036 17.167 18.182 1.00 0.00 C0 ATOM 306 OG SER A 59 2.120 17.641 16.865 1.00 0.00 O0 ATOM 0 H SER A 59 2.709 14.904 20.000 1.00 0.00 H new ATOM 0 HA SER A 59 1.021 15.352 17.679 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.171 17.608 18.677 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.917 17.480 18.742 1.00 0.00 H new ATOM 0 HG SER A 59 1.310 18.148 16.647 1.00 0.00 H new ATOM 312 N VAL A 60 2.856 14.316 16.416 1.00 0.00 N0 ATOM 313 CA VAL A 60 3.892 13.557 15.727 1.00 0.00 C0 ATOM 314 C VAL A 60 3.988 13.963 14.261 1.00 0.00 C0 ATOM 315 O VAL A 60 2.996 13.935 13.534 1.00 0.00 O0 ATOM 316 CB VAL A 60 3.601 12.047 15.821 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 4.666 11.254 15.081 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 3.529 11.624 17.280 1.00 0.00 C0 ATOM 0 H VAL A 60 1.930 14.244 15.994 1.00 0.00 H new ATOM 0 HA VAL A 60 4.843 13.776 16.213 1.00 0.00 H new ATOM 0 HB VAL A 60 2.639 11.841 15.351 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.445 10.189 15.157 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.675 11.548 14.032 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.642 11.455 15.523 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.323 10.555 17.339 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.480 11.838 17.768 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.732 12.175 17.780 1.00 0.00 H new ATOM 328 N GLY A 61 5.188 14.339 13.834 1.00 0.00 N0 ATOM 329 CA GLY A 61 5.414 14.758 12.455 1.00 0.00 C0 ATOM 330 C GLY A 61 4.726 16.085 12.165 1.00 0.00 C0 ATOM 331 O GLY A 61 5.062 17.112 12.753 1.00 0.00 O0 ATOM 0 H GLY A 61 6.020 14.362 14.423 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.484 14.852 12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.039 13.994 11.774 1.00 0.00 H new ATOM 335 N SER A 62 3.761 16.057 11.250 1.00 0.00 N0 ATOM 336 CA SER A 62 3.019 17.256 10.884 1.00 0.00 C0 ATOM 337 C SER A 62 1.556 17.146 11.294 1.00 0.00 C0 ATOM 338 O SER A 62 0.732 17.982 10.921 1.00 0.00 O0 ATOM 339 CB SER A 62 3.118 17.493 9.389 1.00 0.00 C0 ATOM 340 OG SER A 62 2.558 16.427 8.672 1.00 0.00 O0 ATOM 0 H SER A 62 3.476 15.216 10.749 1.00 0.00 H new ATOM 0 HA SER A 62 3.459 18.100 11.415 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.605 18.419 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.163 17.617 9.106 1.00 0.00 H new ATOM 0 HG SER A 62 2.632 16.604 7.711 1.00 0.00 H new ATOM 346 N THR A 63 1.238 16.110 12.061 1.00 0.00 N0 ATOM 347 CA THR A 63 -0.131 15.875 12.503 1.00 0.00 C0 ATOM 348 C THR A 63 -0.221 15.841 14.023 1.00 0.00 C0 ATOM 349 O THR A 63 0.344 14.957 14.669 1.00 0.00 O0 ATOM 350 CB THR A 63 -0.682 14.559 11.923 1.00 0.00 C0 ATOM 351 OG1 THR A 63 -0.673 14.624 10.491 1.00 0.00 O0 ATOM 352 CG2 THR A 63 -2.105 14.320 12.404 1.00 0.00 C0 ATOM 0 H THR A 63 1.911 15.418 12.390 1.00 0.00 H new ATOM 0 HA THR A 63 -0.736 16.704 12.135 1.00 0.00 H new ATOM 0 HB THR A 63 -0.050 13.738 12.261 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.022 13.785 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.479 13.386 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.116 14.259 13.492 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.742 15.143 12.080 1.00 0.00 H new ATOM 360 N SER A 64 -0.934 16.808 14.590 1.00 0.00 N0 ATOM 361 CA SER A 64 -1.165 16.848 16.029 1.00 0.00 C0 ATOM 362 C SER A 64 -2.362 15.989 16.420 1.00 0.00 C0 ATOM 363 O SER A 64 -3.305 15.832 15.644 1.00 0.00 O0 ATOM 364 CB SER A 64 -1.387 18.276 16.484 1.00 0.00 C0 ATOM 365 OG SER A 64 -0.245 19.058 16.261 1.00 0.00 O0 ATOM 0 H SER A 64 -1.363 17.576 14.074 1.00 0.00 H new ATOM 0 HA SER A 64 -0.280 16.446 16.521 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.235 18.704 15.950 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.639 18.288 17.544 1.00 0.00 H new ATOM 0 HG SER A 64 -0.413 19.976 16.561 1.00 0.00 H new ATOM 371 N LEU A 65 -2.319 15.435 17.627 1.00 0.00 N0 ATOM 372 CA LEU A 65 -3.385 14.568 18.110 1.00 0.00 C0 ATOM 373 C LEU A 65 -3.607 14.751 19.607 1.00 0.00 C0 ATOM 374 O LEU A 65 -2.934 14.123 20.424 1.00 0.00 O0 ATOM 375 CB LEU A 65 -3.053 13.101 17.811 1.00 0.00 C0 ATOM 376 CG LEU A 65 -4.130 12.081 18.204 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 -5.389 12.330 17.384 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 -3.601 10.673 17.982 1.00 0.00 C0 ATOM 0 H LEU A 65 -1.555 15.572 18.289 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.302 14.844 17.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.858 13.002 16.743 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.129 12.844 18.329 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.380 12.191 19.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.154 11.606 17.663 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.756 13.338 17.578 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.159 12.225 16.324 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.366 9.949 18.261 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.344 10.542 16.931 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.713 10.517 18.595 1.00 0.00 H new ATOM 390 N ASN A 66 -4.556 15.613 19.958 1.00 0.00 N0 ATOM 391 CA ASN A 66 -4.857 15.890 21.358 1.00 0.00 C0 ATOM 392 C ASN A 66 -5.974 14.992 21.871 1.00 0.00 C0 ATOM 393 O ASN A 66 -6.754 14.448 21.088 1.00 0.00 O0 ATOM 394 CB ASN A 66 -5.217 17.352 21.545 1.00 0.00 C0 ATOM 395 CG ASN A 66 -4.074 18.276 21.226 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -2.910 17.960 21.498 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -4.384 19.411 20.654 1.00 0.00 N0 ATOM 0 H ASN A 66 -5.129 16.131 19.293 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.962 15.675 21.942 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.066 17.597 20.907 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.534 17.515 22.575 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.651 20.078 20.414 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.359 19.629 20.448 1.00 0.00 H new ATOM 404 N ASP A 67 -6.047 14.840 23.189 1.00 0.00 N0 ATOM 405 CA ASP A 67 -7.109 14.059 23.811 1.00 0.00 C0 ATOM 406 C ASP A 67 -7.065 12.605 23.357 1.00 0.00 C0 ATOM 407 O ASP A 67 -8.083 12.036 22.968 1.00 0.00 O0 ATOM 408 CB ASP A 67 -8.478 14.661 23.487 1.00 0.00 C0 ATOM 409 CG ASP A 67 -8.624 16.097 23.969 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -8.094 16.410 25.010 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -9.264 16.867 23.295 1.00 0.00 O0 ATOM 0 H ASP A 67 -5.383 15.248 23.847 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.951 14.088 24.889 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.638 14.627 22.409 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.256 14.049 23.944 1.00 0.00 H new ATOM 416 N VAL A 68 -5.877 12.011 23.406 1.00 0.00 N0 ATOM 417 CA VAL A 68 -5.706 10.610 23.040 1.00 0.00 C0 ATOM 418 C VAL A 68 -6.304 9.687 24.093 1.00 0.00 C0 ATOM 419 O VAL A 68 -5.882 9.695 25.249 1.00 0.00 O0 ATOM 420 CB VAL A 68 -4.212 10.284 22.863 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -4.021 8.804 22.567 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -3.622 11.137 21.750 1.00 0.00 C0 ATOM 0 H VAL A 68 -5.018 12.479 23.696 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.230 10.447 22.098 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.689 10.513 23.791 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.959 8.591 22.445 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.416 8.214 23.394 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.551 8.545 21.650 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.565 10.900 21.631 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.147 10.931 20.817 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.731 12.192 22.003 1.00 0.00 H new ATOM 432 N ALA A 69 -7.288 8.893 23.686 1.00 0.00 N0 ATOM 433 CA ALA A 69 -8.024 8.047 24.618 1.00 0.00 C0 ATOM 434 C ALA A 69 -7.116 6.999 25.248 1.00 0.00 C0 ATOM 435 O ALA A 69 -6.190 6.502 24.607 1.00 0.00 O0 ATOM 436 CB ALA A 69 -9.194 7.377 23.913 1.00 0.00 C0 ATOM 0 H ALA A 69 -7.595 8.817 22.716 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.409 8.682 25.416 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.734 6.749 24.621 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.866 8.139 23.518 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.821 6.762 23.094 1.00 0.00 H new ATOM 442 N PRO A 70 -7.385 6.670 26.506 1.00 0.00 N0 ATOM 443 CA PRO A 70 -6.625 5.644 27.209 1.00 0.00 C0 ATOM 444 C PRO A 70 -6.587 4.345 26.416 1.00 0.00 C0 ATOM 445 O PRO A 70 -7.620 3.855 25.959 1.00 0.00 O0 ATOM 446 CB PRO A 70 -7.395 5.483 28.523 1.00 0.00 C0 ATOM 447 CG PRO A 70 -8.020 6.817 28.748 1.00 0.00 C0 ATOM 448 CD PRO A 70 -8.427 7.276 27.372 1.00 0.00 C0 ATOM 0 HA PRO A 70 -5.579 5.910 27.361 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.148 4.698 28.450 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.730 5.211 29.343 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.880 6.746 29.414 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.318 7.513 29.208 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.426 6.928 27.108 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.437 8.363 27.294 1.00 0.00 H new ATOM 456 N LEU A 71 -5.389 3.789 26.255 1.00 0.00 N0 ATOM 457 CA LEU A 71 -5.220 2.529 25.543 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.570 2.679 24.069 1.00 0.00 C0 ATOM 459 O LEU A 71 -5.869 1.696 23.388 1.00 0.00 O0 ATOM 460 CB LEU A 71 -6.095 1.440 26.176 1.00 0.00 C0 ATOM 461 CG LEU A 71 -5.922 1.242 27.687 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -6.857 0.139 28.165 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -4.472 0.899 27.991 1.00 0.00 C0 ATOM 0 H LEU A 71 -4.522 4.193 26.609 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.172 2.239 25.619 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.140 1.678 25.977 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.883 0.494 25.678 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.176 2.161 28.215 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.734 -0.002 29.239 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.889 0.419 27.951 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.618 -0.790 27.647 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.349 0.758 29.065 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.199 -0.019 27.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.828 1.712 27.655 1.00 0.00 H new ATOM 475 N GLY A 72 -5.531 3.913 23.578 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.742 4.181 22.161 1.00 0.00 C0 ATOM 477 C GLY A 72 -4.423 4.202 21.401 1.00 0.00 C0 ATOM 478 O GLY A 72 -3.354 4.043 21.989 1.00 0.00 O0 ATOM 0 H GLY A 72 -5.355 4.744 24.142 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.396 3.419 21.738 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.249 5.138 22.041 1.00 0.00 H new ATOM 482 N SER A 73 -4.505 4.398 20.088 1.00 0.00 N0 ATOM 483 CA SER A 73 -3.318 4.418 19.242 1.00 0.00 C0 ATOM 484 C SER A 73 -3.567 5.207 17.963 1.00 0.00 C0 ATOM 485 O SER A 73 -4.712 5.487 17.609 1.00 0.00 O0 ATOM 486 CB SER A 73 -2.897 3.001 18.900 1.00 0.00 C0 ATOM 487 OG SER A 73 -3.842 2.385 18.068 1.00 0.00 O0 ATOM 0 H SER A 73 -5.382 4.545 19.588 1.00 0.00 H new ATOM 0 HA SER A 73 -2.518 4.909 19.796 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.926 3.015 18.405 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.780 2.421 19.816 1.00 0.00 H new ATOM 0 HG SER A 73 -3.549 1.473 17.859 1.00 0.00 H new ATOM 493 N SER A 74 -2.488 5.560 17.271 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.589 6.307 16.024 1.00 0.00 C0 ATOM 495 C SER A 74 -1.307 6.194 15.209 1.00 0.00 C0 ATOM 496 O SER A 74 -0.214 6.458 15.714 1.00 0.00 O0 ATOM 497 CB SER A 74 -2.889 7.766 16.310 1.00 0.00 C0 ATOM 498 OG SER A 74 -2.960 8.506 15.123 1.00 0.00 O0 ATOM 0 H SER A 74 -1.533 5.340 17.554 1.00 0.00 H new ATOM 0 HA SER A 74 -3.404 5.878 15.442 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.832 7.848 16.851 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.115 8.180 16.955 1.00 0.00 H new ATOM 0 HG SER A 74 -2.532 9.378 15.255 1.00 0.00 H new ATOM 504 N ASP A 75 -1.446 5.800 13.949 1.00 0.00 N0 ATOM 505 CA ASP A 75 -0.300 5.675 13.055 1.00 0.00 C0 ATOM 506 C ASP A 75 -0.008 6.992 12.346 1.00 0.00 C0 ATOM 507 O ASP A 75 -0.923 7.680 11.891 1.00 0.00 O0 ATOM 508 CB ASP A 75 -0.545 4.576 12.018 1.00 0.00 C0 ATOM 509 CG ASP A 75 -0.565 3.181 12.628 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 -0.165 3.043 13.760 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -0.981 2.267 11.956 1.00 0.00 O0 ATOM 0 H ASP A 75 -2.341 5.561 13.522 1.00 0.00 H new ATOM 0 HA ASP A 75 0.565 5.409 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.495 4.762 11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.233 4.623 11.256 1.00 0.00 H new ATOM 516 N PHE A 76 1.270 7.340 12.257 1.00 0.00 N0 ATOM 517 CA PHE A 76 1.692 8.534 11.535 1.00 0.00 C0 ATOM 518 C PHE A 76 2.631 8.182 10.389 1.00 0.00 C0 ATOM 519 O PHE A 76 3.563 7.395 10.556 1.00 0.00 O0 ATOM 520 CB PHE A 76 2.382 9.516 12.483 1.00 0.00 C0 ATOM 521 CG PHE A 76 1.494 10.015 13.589 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 1.405 9.327 14.789 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 0.748 11.174 13.430 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 0.590 9.785 15.807 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 -0.066 11.634 14.446 1.00 0.00 C0 ATOM 526 CZ PHE A 76 -0.144 10.939 15.636 1.00 0.00 C0 ATOM 0 H PHE A 76 2.034 6.811 12.677 1.00 0.00 H new ATOM 0 HA PHE A 76 0.800 9.002 11.119 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.255 9.032 12.921 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.745 10.368 11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.979 8.423 14.930 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.805 11.722 12.501 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.528 9.239 16.737 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.642 12.538 14.310 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.779 11.299 16.432 1.00 0.00 H new ATOM 536 N LYS A 77 2.382 8.770 9.224 1.00 0.00 N0 ATOM 537 CA LYS A 77 3.087 8.388 8.006 1.00 0.00 C0 ATOM 538 C LYS A 77 4.143 9.422 7.634 1.00 0.00 C0 ATOM 539 O LYS A 77 3.835 10.600 7.456 1.00 0.00 O0 ATOM 540 CB LYS A 77 2.102 8.204 6.850 1.00 0.00 C0 ATOM 541 CG LYS A 77 2.741 7.745 5.547 1.00 0.00 C0 ATOM 542 CD LYS A 77 1.691 7.507 4.471 1.00 0.00 C0 ATOM 543 CE LYS A 77 2.323 7.012 3.179 1.00 0.00 C0 ATOM 544 NZ LYS A 77 1.309 6.785 2.114 1.00 0.00 N0 ATOM 0 H LYS A 77 1.696 9.514 9.097 1.00 0.00 H new ATOM 0 HA LYS A 77 3.589 7.440 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.345 7.477 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.586 9.148 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.453 8.496 5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.304 6.827 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.964 6.776 4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.147 8.432 4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.056 7.740 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.861 6.084 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.782 6.448 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.623 6.072 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.813 7.676 1.912 1.00 0.00 H new ATOM 558 N PHE A 78 5.387 8.974 7.519 1.00 0.00 N0 ATOM 559 CA PHE A 78 6.466 9.822 7.026 1.00 0.00 C0 ATOM 560 C PHE A 78 6.946 9.362 5.656 1.00 0.00 C0 ATOM 561 O PHE A 78 7.167 8.172 5.433 1.00 0.00 O0 ATOM 562 CB PHE A 78 7.637 9.824 8.010 1.00 0.00 C0 ATOM 563 CG PHE A 78 7.308 10.425 9.346 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 6.695 9.666 10.332 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 7.609 11.750 9.620 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 6.390 10.218 11.561 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 7.307 12.304 10.848 1.00 0.00 C0 ATOM 568 CZ PHE A 78 6.697 11.537 11.820 1.00 0.00 C0 ATOM 0 H PHE A 78 5.675 8.026 7.761 1.00 0.00 H new ATOM 0 HA PHE A 78 6.075 10.835 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.977 8.799 8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.468 10.375 7.569 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.453 8.632 10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.085 12.356 8.864 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.911 9.616 12.319 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.548 13.338 11.048 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.461 11.969 12.781 1.00 0.00 H new ATOM 578 N LEU A 79 7.105 10.313 4.741 1.00 0.00 N0 ATOM 579 CA LEU A 79 7.577 10.009 3.396 1.00 0.00 C0 ATOM 580 C LEU A 79 9.096 10.077 3.315 1.00 0.00 C0 ATOM 581 O LEU A 79 9.739 9.195 2.744 1.00 0.00 O0 ATOM 582 CB LEU A 79 6.961 10.983 2.385 1.00 0.00 C0 ATOM 583 CG LEU A 79 5.436 10.910 2.233 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 4.965 12.007 1.288 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 5.043 9.534 1.713 1.00 0.00 C0 ATOM 0 H LEU A 79 6.914 11.301 4.907 1.00 0.00 H new ATOM 0 HA LEU A 79 7.266 8.992 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.230 11.998 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.414 10.800 1.410 1.00 0.00 H new ATOM 0 HG LEU A 79 4.958 11.062 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.882 11.954 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.243 12.980 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.433 11.873 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.960 9.482 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.513 9.363 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.375 8.771 2.417 1.00 0.00 H new ATOM 597 N PRO A 80 9.668 11.130 3.891 1.00 0.00 N0 ATOM 598 CA PRO A 80 11.110 11.335 3.853 1.00 0.00 C0 ATOM 599 C PRO A 80 11.792 10.678 5.046 1.00 0.00 C0 ATOM 600 O PRO A 80 11.249 10.661 6.151 1.00 0.00 O0 ATOM 601 CB PRO A 80 11.242 12.861 3.897 1.00 0.00 C0 ATOM 602 CG PRO A 80 10.172 13.294 4.839 1.00 0.00 C0 ATOM 603 CD PRO A 80 9.032 12.349 4.570 1.00 0.00 C0 ATOM 0 HA PRO A 80 11.586 10.892 2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.228 13.165 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.105 13.301 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.505 13.230 5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.881 14.329 4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.529 12.066 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.282 12.810 3.927 1.00 0.00 H new ATOM 611 N PRO A 81 12.984 10.140 4.817 1.00 0.00 N0 ATOM 612 CA PRO A 81 13.803 9.604 5.898 1.00 0.00 C0 ATOM 613 C PRO A 81 14.467 10.722 6.691 1.00 0.00 C0 ATOM 614 O PRO A 81 14.549 11.860 6.230 1.00 0.00 O0 ATOM 615 CB PRO A 81 14.836 8.749 5.156 1.00 0.00 C0 ATOM 616 CG PRO A 81 15.056 9.472 3.872 1.00 0.00 C0 ATOM 617 CD PRO A 81 13.698 10.010 3.508 1.00 0.00 C0 ATOM 0 HA PRO A 81 13.231 9.037 6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.761 8.659 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.467 7.738 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.784 10.275 3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.439 8.804 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.775 10.972 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.171 9.335 2.834 1.00 0.00 H new ATOM 625 N GLY A 82 14.939 10.391 7.888 1.00 0.00 N0 ATOM 626 CA GLY A 82 15.649 11.352 8.725 1.00 0.00 C0 ATOM 627 C GLY A 82 15.298 11.167 10.195 1.00 0.00 C0 ATOM 628 O GLY A 82 15.550 10.109 10.775 1.00 0.00 O0 ATOM 0 H GLY A 82 14.843 9.463 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.724 11.234 8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.397 12.366 8.413 1.00 0.00 H new ATOM 632 N SER A 83 14.717 12.199 10.795 1.00 0.00 N0 ATOM 633 CA SER A 83 14.297 12.138 12.191 1.00 0.00 C0 ATOM 634 C SER A 83 13.378 13.302 12.541 1.00 0.00 C0 ATOM 635 O SER A 83 13.324 14.301 11.823 1.00 0.00 O0 ATOM 636 CB SER A 83 15.509 12.148 13.102 1.00 0.00 C0 ATOM 637 OG SER A 83 16.168 13.383 13.046 1.00 0.00 O0 ATOM 0 H SER A 83 14.525 13.090 10.336 1.00 0.00 H new ATOM 0 HA SER A 83 13.744 11.210 12.335 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.200 11.943 14.127 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.194 11.352 12.810 1.00 0.00 H new ATOM 0 HG SER A 83 16.945 13.366 13.643 1.00 0.00 H new ATOM 643 N TYR A 84 12.656 13.167 13.648 1.00 0.00 N0 ATOM 644 CA TYR A 84 11.786 14.232 14.130 1.00 0.00 C0 ATOM 645 C TYR A 84 11.463 14.054 15.609 1.00 0.00 C0 ATOM 646 O TYR A 84 11.168 12.947 16.060 1.00 0.00 O0 ATOM 647 CB TYR A 84 10.497 14.286 13.309 1.00 0.00 C0 ATOM 648 CG TYR A 84 9.583 15.433 13.679 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 9.798 16.692 13.138 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 8.532 15.226 14.559 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 8.963 17.741 13.477 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 7.697 16.274 14.897 1.00 0.00 C0 ATOM 653 CZ TYR A 84 7.911 17.526 14.359 1.00 0.00 C0 ATOM 654 OH TYR A 84 7.079 18.570 14.696 1.00 0.00 O0 ATOM 0 H TYR A 84 12.657 12.329 14.229 1.00 0.00 H new ATOM 0 HA TYR A 84 12.318 15.176 14.011 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.754 14.365 12.253 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.957 13.348 13.437 1.00 0.00 H new ATOM 0 HD1 TYR A 84 10.617 16.853 12.453 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.366 14.246 14.980 1.00 0.00 H new ATOM 0 HE1 TYR A 84 9.128 18.723 13.058 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.878 16.113 15.582 1.00 0.00 H new ATOM 0 HH TYR A 84 6.223 18.470 14.229 1.00 0.00 H new ATOM 664 N THR A 85 11.522 15.149 16.359 1.00 0.00 N0 ATOM 665 CA THR A 85 11.212 15.120 17.782 1.00 0.00 C0 ATOM 666 C THR A 85 9.721 15.319 18.026 1.00 0.00 C0 ATOM 667 O THR A 85 9.182 16.400 17.791 1.00 0.00 O0 ATOM 668 CB THR A 85 12.008 16.196 18.546 1.00 0.00 C0 ATOM 669 OG1 THR A 85 13.413 15.969 18.370 1.00 0.00 O0 ATOM 670 CG2 THR A 85 11.673 16.154 20.030 1.00 0.00 C0 ATOM 0 H THR A 85 11.782 16.069 16.003 1.00 0.00 H new ATOM 0 HA THR A 85 11.501 14.137 18.154 1.00 0.00 H new ATOM 0 HB THR A 85 11.739 17.176 18.151 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.918 16.655 18.855 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.244 16.920 20.554 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.607 16.338 20.168 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.927 15.174 20.433 1.00 0.00 H new ATOM 678 N ALA A 86 9.059 14.268 18.497 1.00 0.00 N0 ATOM 679 CA ALA A 86 7.617 14.303 18.709 1.00 0.00 C0 ATOM 680 C ALA A 86 7.273 14.917 20.060 1.00 0.00 C0 ATOM 681 O ALA A 86 8.010 14.754 21.033 1.00 0.00 O0 ATOM 682 CB ALA A 86 7.031 12.903 18.600 1.00 0.00 C0 ATOM 0 H ALA A 86 9.499 13.380 18.739 1.00 0.00 H new ATOM 0 HA ALA A 86 7.179 14.930 17.933 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.954 12.946 18.761 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.234 12.500 17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.485 12.259 19.353 1.00 0.00 H new ATOM 688 N GLN A 87 6.148 15.624 20.113 1.00 0.00 N0 ATOM 689 CA GLN A 87 5.669 16.207 21.361 1.00 0.00 C0 ATOM 690 C GLN A 87 4.776 15.232 22.118 1.00 0.00 C0 ATOM 691 O GLN A 87 3.749 14.790 21.602 1.00 0.00 O0 ATOM 692 CB GLN A 87 4.909 17.507 21.086 1.00 0.00 C0 ATOM 693 CG GLN A 87 4.470 18.247 22.339 1.00 0.00 C0 ATOM 694 CD GLN A 87 5.640 18.845 23.098 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 6.525 19.471 22.510 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 5.649 18.655 24.412 1.00 0.00 N0 ATOM 0 H GLN A 87 5.551 15.807 19.306 1.00 0.00 H new ATOM 0 HA GLN A 87 6.538 16.426 21.981 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.541 18.166 20.491 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.029 17.280 20.484 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.775 19.041 22.064 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.929 17.562 22.992 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.896 18.130 24.857 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.409 19.034 24.977 1.00 0.00 H new ATOM 705 N VAL A 88 5.173 14.901 23.341 1.00 0.00 N0 ATOM 706 CA VAL A 88 4.426 13.954 24.160 1.00 0.00 C0 ATOM 707 C VAL A 88 4.064 14.559 25.510 1.00 0.00 C0 ATOM 708 O VAL A 88 4.731 14.306 26.513 1.00 0.00 O0 ATOM 709 CB VAL A 88 5.249 12.671 24.379 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 4.441 11.648 25.165 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 5.682 12.099 23.038 1.00 0.00 C0 ATOM 0 H VAL A 88 6.010 15.275 23.788 1.00 0.00 H new ATOM 0 HA VAL A 88 3.506 13.711 23.629 1.00 0.00 H new ATOM 0 HB VAL A 88 6.139 12.916 24.958 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.038 10.747 25.311 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.171 12.065 26.135 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.535 11.398 24.613 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.264 11.192 23.200 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.801 11.863 22.441 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.292 12.832 22.510 1.00 0.00 H new ATOM 721 N GLY A 89 3.002 15.358 25.530 1.00 0.00 N0 ATOM 722 CA GLY A 89 2.590 16.053 26.742 1.00 0.00 C0 ATOM 723 C GLY A 89 3.630 17.083 27.168 1.00 0.00 C0 ATOM 724 O GLY A 89 3.877 18.059 26.461 1.00 0.00 O0 ATOM 0 H GLY A 89 2.411 15.540 24.719 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.633 16.547 26.574 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.439 15.331 27.545 1.00 0.00 H new ATOM 728 N GLN A 90 4.237 16.859 28.329 1.00 0.00 N0 ATOM 729 CA GLN A 90 5.326 17.704 28.800 1.00 0.00 C0 ATOM 730 C GLN A 90 6.680 17.125 28.411 1.00 0.00 C0 ATOM 731 O GLN A 90 7.722 17.728 28.668 1.00 0.00 O0 ATOM 732 CB GLN A 90 5.250 17.881 30.318 1.00 0.00 C0 ATOM 733 CG GLN A 90 3.979 18.555 30.804 1.00 0.00 C0 ATOM 734 CD GLN A 90 3.822 19.959 30.250 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 4.732 20.786 30.346 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 2.660 20.236 29.665 1.00 0.00 N0 ATOM 0 H GLN A 90 3.992 16.097 28.962 1.00 0.00 H new ATOM 0 HA GLN A 90 5.220 18.678 28.323 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.333 16.902 30.791 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.108 18.468 30.647 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.118 17.954 30.513 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.986 18.596 31.893 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.935 19.521 29.608 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.494 21.163 29.274 1.00 0.00 H new ATOM 745 N GLN A 91 6.659 15.951 27.788 1.00 0.00 N0 ATOM 746 CA GLN A 91 7.884 15.296 27.346 1.00 0.00 C0 ATOM 747 C GLN A 91 8.021 15.349 25.830 1.00 0.00 C0 ATOM 748 O GLN A 91 7.145 15.864 25.136 1.00 0.00 O0 ATOM 749 CB GLN A 91 7.916 13.842 27.824 1.00 0.00 C0 ATOM 750 CG GLN A 91 7.840 13.679 29.331 1.00 0.00 C0 ATOM 751 CD GLN A 91 9.029 14.297 30.042 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 10.182 14.019 29.706 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 8.754 15.138 31.032 1.00 0.00 N0 ATOM 0 H GLN A 91 5.806 15.434 27.578 1.00 0.00 H new ATOM 0 HA GLN A 91 8.725 15.833 27.784 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.084 13.304 27.370 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.833 13.374 27.465 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.922 14.139 29.697 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.785 12.618 29.576 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.784 15.339 31.276 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.513 15.583 31.549 1.00 0.00 H new ATOM 762 N SER A 92 9.127 14.814 25.321 1.00 0.00 N0 ATOM 763 CA SER A 92 9.347 14.733 23.883 1.00 0.00 C0 ATOM 764 C SER A 92 10.183 13.512 23.521 1.00 0.00 C0 ATOM 765 O SER A 92 10.893 12.964 24.363 1.00 0.00 O0 ATOM 766 CB SER A 92 10.033 15.992 23.388 1.00 0.00 C0 ATOM 767 OG SER A 92 11.336 16.086 23.898 1.00 0.00 O0 ATOM 0 H SER A 92 9.885 14.430 25.885 1.00 0.00 H new ATOM 0 HA SER A 92 8.375 14.637 23.399 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.064 15.990 22.298 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.457 16.867 23.688 1.00 0.00 H new ATOM 0 HG SER A 92 11.760 16.904 23.564 1.00 0.00 H new ATOM 773 N LEU A 93 10.092 13.091 22.265 1.00 0.00 N0 ATOM 774 CA LEU A 93 10.805 11.906 21.801 1.00 0.00 C0 ATOM 775 C LEU A 93 11.478 12.160 20.457 1.00 0.00 C0 ATOM 776 O LEU A 93 10.809 12.310 19.436 1.00 0.00 O0 ATOM 777 CB LEU A 93 9.840 10.720 21.681 1.00 0.00 C0 ATOM 778 CG LEU A 93 10.466 9.400 21.215 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 11.469 8.918 22.253 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 9.369 8.368 20.995 1.00 0.00 C0 ATOM 0 H LEU A 93 9.531 13.553 21.549 1.00 0.00 H new ATOM 0 HA LEU A 93 11.577 11.671 22.534 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.372 10.556 22.652 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.046 10.990 20.985 1.00 0.00 H new ATOM 0 HG LEU A 93 10.992 9.550 20.272 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.914 7.980 21.921 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.252 9.666 22.378 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.961 8.762 23.205 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.813 7.430 20.664 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.830 8.205 21.928 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.676 8.730 20.235 1.00 0.00 H new ATOM 792 N PRO A 94 12.805 12.206 20.465 1.00 0.00 N0 ATOM 793 CA PRO A 94 13.575 12.365 19.237 1.00 0.00 C0 ATOM 794 C PRO A 94 13.537 11.096 18.396 1.00 0.00 C0 ATOM 795 O PRO A 94 14.456 10.280 18.443 1.00 0.00 O0 ATOM 796 CB PRO A 94 14.987 12.660 19.751 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.061 11.937 21.052 1.00 0.00 C0 ATOM 798 CD PRO A 94 13.694 12.112 21.656 1.00 0.00 C0 ATOM 0 HA PRO A 94 13.190 13.148 18.584 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.747 12.305 19.054 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.148 13.730 19.880 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.300 10.883 20.908 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.836 12.354 21.695 1.00 0.00 H new ATOM 0 HD2 PRO A 94 13.425 11.270 22.294 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.638 13.009 22.272 1.00 0.00 H new ATOM 806 N VAL A 95 12.466 10.935 17.625 1.00 0.00 N0 ATOM 807 CA VAL A 95 12.262 9.724 16.838 1.00 0.00 C0 ATOM 808 C VAL A 95 13.172 9.702 15.617 1.00 0.00 C0 ATOM 809 O VAL A 95 13.082 10.571 14.748 1.00 0.00 O0 ATOM 810 CB VAL A 95 10.795 9.622 16.384 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 10.596 8.404 15.494 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 9.881 9.559 17.597 1.00 0.00 C0 ATOM 0 H VAL A 95 11.725 11.629 17.529 1.00 0.00 H new ATOM 0 HA VAL A 95 12.507 8.872 17.472 1.00 0.00 H new ATOM 0 HB VAL A 95 10.542 10.509 15.803 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.553 8.348 15.182 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.234 8.488 14.614 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.859 7.502 16.047 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.844 9.487 17.268 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.133 8.685 18.197 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.010 10.460 18.197 1.00 0.00 H new ATOM 822 N LYS A 96 14.048 8.705 15.556 1.00 0.00 N0 ATOM 823 CA LYS A 96 14.845 8.459 14.359 1.00 0.00 C0 ATOM 824 C LYS A 96 14.046 7.689 13.314 1.00 0.00 C0 ATOM 825 O LYS A 96 13.396 6.691 13.627 1.00 0.00 O0 ATOM 826 CB LYS A 96 16.121 7.691 14.714 1.00 0.00 C0 ATOM 827 CG LYS A 96 17.085 7.504 13.552 1.00 0.00 C0 ATOM 828 CD LYS A 96 18.364 6.814 14.001 1.00 0.00 C0 ATOM 829 CE LYS A 96 19.356 6.683 12.854 1.00 0.00 C0 ATOM 830 NZ LYS A 96 20.605 5.992 13.275 1.00 0.00 N0 ATOM 0 H LYS A 96 14.224 8.054 16.321 1.00 0.00 H new ATOM 0 HA LYS A 96 15.118 9.426 13.936 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.636 8.218 15.517 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.845 6.711 15.102 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.606 6.914 12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.326 8.474 13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.818 7.380 14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.127 5.825 14.394 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.894 6.130 12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.601 7.674 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 21.254 5.923 12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.060 6.532 14.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 20.375 5.037 13.616 1.00 0.00 H new ATOM 844 N LEU A 97 14.096 8.161 12.073 1.00 0.00 N0 ATOM 845 CA LEU A 97 13.298 7.582 11.001 1.00 0.00 C0 ATOM 846 C LEU A 97 14.178 6.876 9.977 1.00 0.00 C0 ATOM 847 O LEU A 97 14.636 7.488 9.012 1.00 0.00 O0 ATOM 848 CB LEU A 97 12.469 8.672 10.309 1.00 0.00 C0 ATOM 849 CG LEU A 97 11.533 9.476 11.220 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 10.931 10.634 10.435 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 10.448 8.562 11.767 1.00 0.00 C0 ATOM 0 H LEU A 97 14.682 8.945 11.785 1.00 0.00 H new ATOM 0 HA LEU A 97 12.629 6.845 11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 97 13.152 9.365 9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.871 8.206 9.526 1.00 0.00 H new ATOM 0 HG LEU A 97 12.092 9.886 12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.266 11.205 11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.729 11.282 10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.367 10.245 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.783 9.134 12.414 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.876 8.141 10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.906 7.755 12.339 1.00 0.00 H new ATOM 863 N ASP A 98 14.412 5.587 10.193 1.00 0.00 N0 ATOM 864 CA ASP A 98 15.158 4.773 9.240 1.00 0.00 C0 ATOM 865 C ASP A 98 14.334 4.497 7.989 1.00 0.00 C0 ATOM 866 O ASP A 98 13.112 4.359 8.056 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.581 3.449 9.882 1.00 0.00 C0 ATOM 868 CG ASP A 98 16.680 3.621 10.922 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 17.314 4.649 10.924 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 16.877 2.720 11.702 1.00 0.00 O0 ATOM 0 H ASP A 98 14.096 5.082 11.021 1.00 0.00 H new ATOM 0 HA ASP A 98 16.048 5.332 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.713 2.984 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.926 2.768 9.104 1.00 0.00 H new ATOM 875 N PRO A 99 15.008 4.417 6.848 1.00 0.00 N0 ATOM 876 CA PRO A 99 14.336 4.194 5.574 1.00 0.00 C0 ATOM 877 C PRO A 99 13.458 2.950 5.625 1.00 0.00 C0 ATOM 878 O PRO A 99 13.929 1.858 5.943 1.00 0.00 O0 ATOM 879 CB PRO A 99 15.502 4.023 4.594 1.00 0.00 C0 ATOM 880 CG PRO A 99 16.596 4.849 5.181 1.00 0.00 C0 ATOM 881 CD PRO A 99 16.469 4.636 6.665 1.00 0.00 C0 ATOM 0 HA PRO A 99 13.662 5.003 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.797 2.977 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.236 4.366 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.573 4.532 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.484 5.901 4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.051 3.778 7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.821 5.500 7.228 1.00 0.00 H new ATOM 889 N ASP A 100 12.179 3.122 5.310 1.00 0.00 N0 ATOM 890 CA ASP A 100 11.253 1.997 5.225 1.00 0.00 C0 ATOM 891 C ASP A 100 11.261 1.181 6.511 1.00 0.00 C0 ATOM 892 O ASP A 100 11.625 0.006 6.508 1.00 0.00 O0 ATOM 893 CB ASP A 100 11.609 1.098 4.038 1.00 0.00 C0 ATOM 894 CG ASP A 100 11.493 1.812 2.698 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 10.744 2.755 2.612 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 12.153 1.404 1.774 1.00 0.00 O0 ATOM 0 H ASP A 100 11.759 4.030 5.109 1.00 0.00 H new ATOM 0 HA ASP A 100 10.251 2.401 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.627 0.729 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.953 0.228 4.038 1.00 0.00 H new ATOM 901 N SER A 101 10.855 1.809 7.609 1.00 0.00 N0 ATOM 902 CA SER A 101 10.803 1.139 8.902 1.00 0.00 C0 ATOM 903 C SER A 101 9.617 1.621 9.726 1.00 0.00 C0 ATOM 904 O SER A 101 9.102 2.718 9.507 1.00 0.00 O0 ATOM 905 CB SER A 101 12.092 1.379 9.665 1.00 0.00 C0 ATOM 906 OG SER A 101 12.227 2.731 10.009 1.00 0.00 O0 ATOM 0 H SER A 101 10.556 2.784 7.629 1.00 0.00 H new ATOM 0 HA SER A 101 10.681 0.071 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.104 0.767 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.942 1.068 9.058 1.00 0.00 H new ATOM 0 HG SER A 101 12.508 3.242 9.222 1.00 0.00 H new ATOM 912 N TYR A 102 9.188 0.795 10.674 1.00 0.00 N0 ATOM 913 CA TYR A 102 8.073 1.144 11.547 1.00 0.00 C0 ATOM 914 C TYR A 102 8.554 1.443 12.961 1.00 0.00 C0 ATOM 915 O TYR A 102 9.565 0.901 13.411 1.00 0.00 O0 ATOM 916 CB TYR A 102 7.036 0.020 11.565 1.00 0.00 C0 ATOM 917 CG TYR A 102 6.355 -0.205 10.234 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 7.027 -0.860 9.212 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 5.057 0.244 10.034 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 6.404 -1.065 7.996 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 4.436 0.039 8.817 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.105 -0.612 7.802 1.00 0.00 C0 ATOM 923 OH TYR A 102 4.485 -0.816 6.590 1.00 0.00 O0 ATOM 0 H TYR A 102 9.596 -0.122 10.858 1.00 0.00 H new ATOM 0 HA TYR A 102 7.607 2.046 11.151 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.522 -0.905 11.874 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.279 0.249 12.315 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.037 -1.210 9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.533 0.753 10.829 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.925 -1.575 7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.426 0.389 8.661 1.00 0.00 H new ATOM 0 HH TYR A 102 3.580 -0.441 6.618 1.00 0.00 H new ATOM 933 N TYR A 103 7.824 2.306 13.658 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.142 2.635 15.043 1.00 0.00 C0 ATOM 935 C TYR A 103 6.885 2.677 15.901 1.00 0.00 C0 ATOM 936 O TYR A 103 5.794 2.964 15.407 1.00 0.00 O0 ATOM 937 CB TYR A 103 8.882 3.973 15.120 1.00 0.00 C0 ATOM 938 CG TYR A 103 10.219 3.972 14.412 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 10.308 4.405 13.097 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 11.355 3.538 15.078 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 11.529 4.405 12.451 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 12.577 3.538 14.432 1.00 0.00 C0 ATOM 943 CZ TYR A 103 12.665 3.968 13.124 1.00 0.00 C0 ATOM 944 OH TYR A 103 13.882 3.968 12.480 1.00 0.00 O0 ATOM 0 H TYR A 103 7.007 2.791 13.287 1.00 0.00 H new ATOM 0 HA TYR A 103 8.792 1.851 15.432 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.253 4.751 14.688 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.036 4.233 16.167 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.423 4.742 12.578 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.285 3.200 16.101 1.00 0.00 H new ATOM 0 HE1 TYR A 103 11.601 4.743 11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.462 3.202 14.951 1.00 0.00 H new ATOM 0 HH TYR A 103 14.574 3.635 13.088 1.00 0.00 H new ATOM 954 N THR A 104 7.043 2.392 17.189 1.00 0.00 N0 ATOM 955 CA THR A 104 5.950 2.525 18.144 1.00 0.00 C0 ATOM 956 C THR A 104 6.312 3.491 19.265 1.00 0.00 C0 ATOM 957 O THR A 104 7.426 3.460 19.787 1.00 0.00 O0 ATOM 958 CB THR A 104 5.566 1.159 18.742 1.00 0.00 C0 ATOM 959 OG1 THR A 104 5.132 0.281 17.697 1.00 0.00 O0 ATOM 960 CG2 THR A 104 4.449 1.318 19.763 1.00 0.00 C0 ATOM 0 H THR A 104 7.920 2.067 17.596 1.00 0.00 H new ATOM 0 HA THR A 104 5.094 2.924 17.600 1.00 0.00 H new ATOM 0 HB THR A 104 6.441 0.739 19.238 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.807 -0.414 17.552 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.191 0.342 20.175 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.782 1.975 20.567 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.573 1.751 19.280 1.00 0.00 H new ATOM 968 N LEU A 105 5.365 4.349 19.628 1.00 0.00 N0 ATOM 969 CA LEU A 105 5.592 5.342 20.673 1.00 0.00 C0 ATOM 970 C LEU A 105 4.687 5.094 21.873 1.00 0.00 C0 ATOM 971 O LEU A 105 3.491 5.386 21.833 1.00 0.00 O0 ATOM 972 CB LEU A 105 5.347 6.753 20.123 1.00 0.00 C0 ATOM 973 CG LEU A 105 5.793 7.906 21.031 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 5.895 9.186 20.214 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 4.801 8.064 22.175 1.00 0.00 C0 ATOM 0 H LEU A 105 4.433 4.377 19.215 1.00 0.00 H new ATOM 0 HA LEU A 105 6.628 5.255 21.000 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.864 6.846 19.168 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.282 6.865 19.921 1.00 0.00 H new ATOM 0 HG LEU A 105 6.774 7.690 21.454 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.212 10.005 20.859 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.624 9.051 19.415 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.922 9.420 19.782 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.118 8.883 22.821 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.812 8.281 21.772 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.762 7.141 22.753 1.00 0.00 H new ATOM 987 N VAL A 106 5.263 4.554 22.941 1.00 0.00 N0 ATOM 988 CA VAL A 106 4.505 4.239 24.145 1.00 0.00 C0 ATOM 989 C VAL A 106 4.761 5.266 25.242 1.00 0.00 C0 ATOM 990 O VAL A 106 5.902 5.477 25.653 1.00 0.00 O0 ATOM 991 CB VAL A 106 4.879 2.837 24.662 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 4.133 2.529 25.951 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 4.569 1.795 23.597 1.00 0.00 C0 ATOM 0 H VAL A 106 6.255 4.325 22.997 1.00 0.00 H new ATOM 0 HA VAL A 106 3.447 4.262 23.885 1.00 0.00 H new ATOM 0 HB VAL A 106 5.947 2.811 24.876 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.409 1.535 26.302 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.395 3.267 26.709 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.059 2.564 25.767 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.835 0.805 23.968 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.505 1.820 23.362 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.144 2.012 22.697 1.00 0.00 H new ATOM 1003 N SER A 107 3.693 5.901 25.712 1.00 0.00 N0 ATOM 1004 CA SER A 107 3.808 6.946 26.722 1.00 0.00 C0 ATOM 1005 C SER A 107 2.650 6.887 27.710 1.00 0.00 C0 ATOM 1006 O SER A 107 1.623 6.265 27.439 1.00 0.00 O0 ATOM 1007 CB SER A 107 3.848 8.310 26.059 1.00 0.00 C0 ATOM 1008 OG SER A 107 2.632 8.596 25.424 1.00 0.00 O0 ATOM 0 H SER A 107 2.738 5.710 25.410 1.00 0.00 H new ATOM 0 HA SER A 107 4.735 6.782 27.271 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.061 9.075 26.806 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.659 8.341 25.331 1.00 0.00 H new ATOM 0 HG SER A 107 2.731 9.401 24.875 1.00 0.00 H new ATOM 1014 N GLN A 108 2.823 7.537 28.855 1.00 0.00 N0 ATOM 1015 CA GLN A 108 1.792 7.559 29.887 1.00 0.00 C0 ATOM 1016 C GLN A 108 1.995 8.724 30.845 1.00 0.00 C0 ATOM 1017 O GLN A 108 3.095 9.269 30.951 1.00 0.00 O0 ATOM 1018 CB GLN A 108 1.785 6.239 30.664 1.00 0.00 C0 ATOM 1019 CG GLN A 108 3.049 5.982 31.466 1.00 0.00 C0 ATOM 1020 CD GLN A 108 3.032 4.631 32.157 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 2.811 3.597 31.519 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 3.263 4.633 33.463 1.00 0.00 N0 ATOM 0 H GLN A 108 3.668 8.056 29.093 1.00 0.00 H new ATOM 0 HA GLN A 108 0.829 7.687 29.392 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.931 6.234 31.341 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.640 5.418 29.962 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.913 6.038 30.804 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.168 6.767 32.213 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.441 5.512 33.948 1.00 0.00 H new ATOM 0 HE22 GLN A 108 3.263 3.755 33.982 1.00 0.00 H new ATOM 1031 N PRO A 109 0.930 9.105 31.542 1.00 0.00 N0 ATOM 1032 CA PRO A 109 0.994 10.199 32.504 1.00 0.00 C0 ATOM 1033 C PRO A 109 2.063 9.943 33.558 1.00 0.00 C0 ATOM 1034 O PRO A 109 2.059 8.908 34.223 1.00 0.00 O0 ATOM 1035 CB PRO A 109 -0.411 10.202 33.114 1.00 0.00 C0 ATOM 1036 CG PRO A 109 -1.276 9.629 32.044 1.00 0.00 C0 ATOM 1037 CD PRO A 109 -0.430 8.556 31.413 1.00 0.00 C0 ATOM 0 HA PRO A 109 1.264 11.155 32.055 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.452 9.602 34.023 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.726 11.210 33.383 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.197 9.218 32.456 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.563 10.388 31.316 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.533 7.602 31.930 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.702 8.385 30.371 1.00 0.00 H new ATOM 1045 N GLY A 110 2.980 10.893 33.705 1.00 0.00 N0 ATOM 1046 CA GLY A 110 3.992 10.827 34.753 1.00 0.00 C0 ATOM 1047 C GLY A 110 5.217 10.052 34.288 1.00 0.00 C0 ATOM 1048 O GLY A 110 6.182 9.889 35.035 1.00 0.00 O0 ATOM 0 H GLY A 110 3.043 11.719 33.110 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.285 11.836 35.043 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.572 10.350 35.639 1.00 0.00 H new ATOM 1052 N GLY A 111 5.173 9.573 33.049 1.00 0.00 N0 ATOM 1053 CA GLY A 111 6.276 8.803 32.485 1.00 0.00 C0 ATOM 1054 C GLY A 111 6.839 9.477 31.240 1.00 0.00 C0 ATOM 1055 O GLY A 111 6.521 10.631 30.949 1.00 0.00 O0 ATOM 0 H GLY A 111 4.384 9.705 32.416 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.064 8.693 33.230 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.932 7.800 32.234 1.00 0.00 H new ATOM 1059 N LYS A 112 7.674 8.751 30.507 1.00 0.00 N0 ATOM 1060 CA LYS A 112 8.275 9.273 29.286 1.00 0.00 C0 ATOM 1061 C LYS A 112 7.987 8.366 28.097 1.00 0.00 C0 ATOM 1062 O LYS A 112 7.769 7.164 28.259 1.00 0.00 O0 ATOM 1063 CB LYS A 112 9.785 9.443 29.462 1.00 0.00 C0 ATOM 1064 CG LYS A 112 10.185 10.484 30.500 1.00 0.00 C0 ATOM 1065 CD LYS A 112 11.695 10.647 30.568 1.00 0.00 C0 ATOM 1066 CE LYS A 112 12.095 11.680 31.610 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 13.573 11.848 31.689 1.00 0.00 N0 ATOM 0 H LYS A 112 7.951 7.797 30.738 1.00 0.00 H new ATOM 0 HA LYS A 112 7.829 10.247 29.087 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.216 8.482 29.744 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.222 9.719 28.502 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.725 11.441 30.254 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.805 10.190 31.478 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.156 9.689 30.808 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.074 10.947 29.591 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.634 12.637 31.368 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.711 11.379 32.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.803 12.561 32.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.012 10.941 31.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.937 12.160 30.766 1.00 0.00 H new ATOM 1081 N PRO A 113 7.984 8.947 26.903 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.729 8.190 25.682 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.884 7.250 25.364 1.00 0.00 C0 ATOM 1084 O PRO A 113 10.051 7.628 25.469 1.00 0.00 O0 ATOM 1085 CB PRO A 113 7.582 9.286 24.622 1.00 0.00 C0 ATOM 1086 CG PRO A 113 8.388 10.421 25.156 1.00 0.00 C0 ATOM 1087 CD PRO A 113 8.155 10.379 26.642 1.00 0.00 C0 ATOM 0 HA PRO A 113 6.853 7.545 25.749 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.954 8.955 23.652 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.538 9.569 24.484 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.445 10.305 24.916 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.067 11.372 24.730 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.998 10.793 27.195 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.273 10.951 26.930 1.00 0.00 H new ATOM 1095 N GLN A 114 8.552 6.024 24.975 1.00 0.00 N0 ATOM 1096 CA GLN A 114 9.560 5.042 24.596 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.487 4.723 23.108 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.433 4.350 22.595 1.00 0.00 O0 ATOM 1099 CB GLN A 114 9.392 3.758 25.414 1.00 0.00 C0 ATOM 1100 CG GLN A 114 10.325 2.631 25.005 1.00 0.00 C0 ATOM 1101 CD GLN A 114 11.773 2.923 25.352 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 12.114 3.139 26.519 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 12.632 2.932 24.340 1.00 0.00 N0 ATOM 0 H GLN A 114 7.591 5.687 24.914 1.00 0.00 H new ATOM 0 HA GLN A 114 10.539 5.473 24.806 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.557 3.987 26.467 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.362 3.414 25.321 1.00 0.00 H new ATOM 0 HG2 GLN A 114 10.015 1.710 25.498 1.00 0.00 H new ATOM 0 HG3 GLN A 114 10.238 2.463 23.932 1.00 0.00 H new ATOM 0 HE21 GLN A 114 12.305 2.748 23.392 1.00 0.00 H new ATOM 0 HE22 GLN A 114 13.619 3.123 24.511 1.00 0.00 H new ATOM 1112 N LEU A 115 10.615 4.870 22.421 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.697 4.542 21.002 1.00 0.00 C0 ATOM 1114 C LEU A 115 11.024 3.069 20.797 1.00 0.00 C0 ATOM 1115 O LEU A 115 12.047 2.578 21.276 1.00 0.00 O0 ATOM 1116 CB LEU A 115 11.760 5.409 20.318 1.00 0.00 C0 ATOM 1117 CG LEU A 115 11.910 5.207 18.804 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 10.614 5.602 18.108 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 13.078 6.037 18.295 1.00 0.00 C0 ATOM 0 H LEU A 115 11.486 5.215 22.824 1.00 0.00 H new ATOM 0 HA LEU A 115 9.724 4.744 20.554 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.523 6.456 20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.723 5.211 20.790 1.00 0.00 H new ATOM 0 HG LEU A 115 12.112 4.158 18.586 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.720 5.459 17.033 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.798 4.981 18.478 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.395 6.650 18.314 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.185 5.894 17.220 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.894 7.091 18.504 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.994 5.722 18.796 1.00 0.00 H new ATOM 1131 N VAL A 116 10.152 2.368 20.082 1.00 0.00 N0 ATOM 1132 CA VAL A 116 10.397 0.977 19.723 1.00 0.00 C0 ATOM 1133 C VAL A 116 10.632 0.828 18.225 1.00 0.00 C0 ATOM 1134 O VAL A 116 9.758 1.137 17.416 1.00 0.00 O0 ATOM 1135 CB VAL A 116 9.204 0.097 20.143 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 9.448 -1.353 19.750 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 8.972 0.220 21.641 1.00 0.00 C0 ATOM 0 H VAL A 116 9.267 2.741 19.739 1.00 0.00 H new ATOM 0 HA VAL A 116 11.294 0.652 20.251 1.00 0.00 H new ATOM 0 HB VAL A 116 8.310 0.441 19.624 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.596 -1.961 20.054 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.575 -1.421 18.670 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.348 -1.717 20.245 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.127 -0.405 21.931 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.864 -0.106 22.175 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.758 1.259 21.892 1.00 0.00 H new ATOM 1147 N ALA A 117 11.818 0.350 17.861 1.00 0.00 N0 ATOM 1148 CA ALA A 117 12.172 0.165 16.459 1.00 0.00 C0 ATOM 1149 C ALA A 117 11.575 -1.124 15.907 1.00 0.00 C0 ATOM 1150 O ALA A 117 11.673 -2.181 16.531 1.00 0.00 O0 ATOM 1151 CB ALA A 117 13.683 0.162 16.290 1.00 0.00 C0 ATOM 0 H ALA A 117 12.551 0.084 18.519 1.00 0.00 H new ATOM 0 HA ALA A 117 11.756 0.999 15.894 1.00 0.00 H new ATOM 0 HB1 ALA A 117 13.931 0.023 15.238 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.090 1.112 16.636 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.113 -0.651 16.875 1.00 0.00 H new ATOM 1157 N GLU A 118 10.959 -1.029 14.734 1.00 0.00 N0 ATOM 1158 CA GLU A 118 10.357 -2.191 14.089 1.00 0.00 C0 ATOM 1159 C GLU A 118 10.609 -2.180 12.588 1.00 0.00 C0 ATOM 1160 O GLU A 118 9.712 -1.883 11.800 1.00 0.00 O0 ATOM 1161 CB GLU A 118 8.851 -2.231 14.363 1.00 0.00 C0 ATOM 1162 CG GLU A 118 8.482 -2.272 15.838 1.00 0.00 C0 ATOM 1163 CD GLU A 118 6.995 -2.292 16.068 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 6.276 -2.613 15.154 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 6.579 -1.982 17.161 1.00 0.00 O0 ATOM 0 H GLU A 118 10.863 -0.159 14.210 1.00 0.00 H new ATOM 0 HA GLU A 118 10.822 -3.083 14.508 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.388 -1.355 13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.427 -3.106 13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.927 -3.156 16.295 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.911 -1.404 16.339 1.00 0.00 H new ATOM 1172 N PRO A 119 11.838 -2.506 12.197 1.00 0.00 N0 ATOM 1173 CA PRO A 119 12.207 -2.548 10.788 1.00 0.00 C0 ATOM 1174 C PRO A 119 11.265 -3.446 9.998 1.00 0.00 C0 ATOM 1175 O PRO A 119 10.191 -3.034 9.652 1.00 0.00 O0 ATOM 1176 CB PRO A 119 13.630 -3.113 10.821 1.00 0.00 C0 ATOM 1177 CG PRO A 119 14.163 -2.682 12.145 1.00 0.00 C0 ATOM 1178 CD PRO A 119 12.991 -2.807 13.080 1.00 0.00 C0 ATOM 0 HA PRO A 119 12.147 -1.576 10.297 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.630 -4.199 10.726 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.233 -2.721 10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 119 14.994 -3.312 12.463 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.535 -1.658 12.109 1.00 0.00 H new ATOM 0 HD2 PRO A 119 12.921 -3.806 13.511 1.00 0.00 H new ATOM 0 HD3 PRO A 119 13.059 -2.105 13.911 1.00 0.00 H new TER 1186 PRO A 119