USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 107:sc= 1.32 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -0.434 K(o=0.88,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00271 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.7) USER MOD Single : A 16 CYS SG : rot 64:sc= 0.876 USER MOD Single : A 19 SER OG : rot -172:sc= -1.91 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -119:sc= -0.367 (180deg=-0.414) USER MOD Single : A 29 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.34) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 169:sc= -0.544 (180deg=-0.804) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 37 MET CE :methyl 148:sc= -0.147 (180deg=-0.732) USER MOD Single : A 38 GLN : amide:sc= -1.26 X(o=-1.3,f=-0.93) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -85:sc= -1.2 USER MOD Single : A 58 ASN : amide:sc= -0.633 K(o=-0.63,f=-2.2) USER MOD Single : A 59 THR OG1 : rot -41:sc= 0.468 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -170:sc= -1.05 USER MOD Single : A 69 LYS NZ :NH3+ -148:sc= -0.103 (180deg=-1.07) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.786 (180deg=-0.929) USER MOD Single : A 76 GLN :FLIP amide:sc= -3.2! C(o=-4.9!,f=-3.2!) USER MOD Single : A 82 SER OG : rot 87:sc= 0.417 USER MOD Single : A 84 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.78) USER MOD Single : A 85 MET CE :methyl -177:sc= -5.04! (180deg=-5.67!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -153:sc= 0.571 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 104 SER OG : rot 24:sc= 0.24 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.424 14.461 -5.310 1.00 0.00 N ATOM 2 CA GLY A 1 -12.688 14.563 -4.604 1.00 0.00 C ATOM 3 C GLY A 1 -13.337 15.923 -4.771 1.00 0.00 C ATOM 4 O GLY A 1 -14.168 16.117 -5.658 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.021 13.513 -5.165 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.580 14.619 -6.326 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.764 15.178 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.367 13.792 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.525 14.369 -3.544 1.00 0.00 H new ATOM 8 N SER A 2 -12.958 16.867 -3.915 1.00 0.00 N ATOM 9 CA SER A 2 -13.513 18.214 -3.968 1.00 0.00 C ATOM 10 C SER A 2 -12.572 19.160 -4.707 1.00 0.00 C ATOM 11 O SER A 2 -11.352 18.998 -4.666 1.00 0.00 O ATOM 12 CB SER A 2 -13.773 18.737 -2.554 1.00 0.00 C ATOM 13 OG SER A 2 -14.561 19.915 -2.583 1.00 0.00 O ATOM 0 H SER A 2 -12.269 16.723 -3.177 1.00 0.00 H new ATOM 0 HA SER A 2 -14.457 18.171 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.280 17.971 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.824 18.942 -2.059 1.00 0.00 H new ATOM 0 HG SER A 2 -14.715 20.228 -1.667 1.00 0.00 H new ATOM 19 N SER A 3 -13.148 20.149 -5.383 1.00 0.00 N ATOM 20 CA SER A 3 -12.362 21.121 -6.135 1.00 0.00 C ATOM 21 C SER A 3 -11.436 21.904 -5.209 1.00 0.00 C ATOM 22 O SER A 3 -11.725 22.078 -4.026 1.00 0.00 O ATOM 23 CB SER A 3 -13.284 22.082 -6.886 1.00 0.00 C ATOM 24 OG SER A 3 -12.542 22.952 -7.723 1.00 0.00 O ATOM 0 H SER A 3 -14.156 20.299 -5.426 1.00 0.00 H new ATOM 0 HA SER A 3 -11.751 20.578 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.995 21.514 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.864 22.667 -6.172 1.00 0.00 H new ATOM 0 HG SER A 3 -13.155 23.555 -8.193 1.00 0.00 H new ATOM 30 N GLY A 4 -10.321 22.376 -5.759 1.00 0.00 N ATOM 31 CA GLY A 4 -9.369 23.135 -4.969 1.00 0.00 C ATOM 32 C GLY A 4 -9.379 24.612 -5.313 1.00 0.00 C ATOM 33 O GLY A 4 -9.728 24.994 -6.429 1.00 0.00 O ATOM 0 H GLY A 4 -10.060 22.246 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.598 23.010 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.368 22.734 -5.128 1.00 0.00 H new ATOM 37 N SER A 5 -8.996 25.444 -4.350 1.00 0.00 N ATOM 38 CA SER A 5 -8.967 26.888 -4.554 1.00 0.00 C ATOM 39 C SER A 5 -7.549 27.367 -4.847 1.00 0.00 C ATOM 40 O SER A 5 -7.330 28.182 -5.743 1.00 0.00 O ATOM 41 CB SER A 5 -9.517 27.609 -3.322 1.00 0.00 C ATOM 42 OG SER A 5 -8.766 27.286 -2.164 1.00 0.00 O ATOM 0 H SER A 5 -8.701 25.143 -3.421 1.00 0.00 H new ATOM 0 HA SER A 5 -9.595 27.122 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.493 28.686 -3.486 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.561 27.333 -3.171 1.00 0.00 H new ATOM 0 HG SER A 5 -9.137 27.761 -1.391 1.00 0.00 H new ATOM 48 N SER A 6 -6.588 26.853 -4.086 1.00 0.00 N ATOM 49 CA SER A 6 -5.191 27.231 -4.260 1.00 0.00 C ATOM 50 C SER A 6 -4.282 26.009 -4.163 1.00 0.00 C ATOM 51 O SER A 6 -4.204 25.361 -3.120 1.00 0.00 O ATOM 52 CB SER A 6 -4.785 28.267 -3.210 1.00 0.00 C ATOM 53 OG SER A 6 -5.500 29.478 -3.386 1.00 0.00 O ATOM 0 H SER A 6 -6.752 26.174 -3.343 1.00 0.00 H new ATOM 0 HA SER A 6 -5.080 27.668 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.974 27.871 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.714 28.460 -3.279 1.00 0.00 H new ATOM 0 HG SER A 6 -5.224 30.123 -2.702 1.00 0.00 H new ATOM 59 N GLY A 7 -3.596 25.701 -5.260 1.00 0.00 N ATOM 60 CA GLY A 7 -2.701 24.558 -5.278 1.00 0.00 C ATOM 61 C GLY A 7 -3.447 23.238 -5.291 1.00 0.00 C ATOM 62 O GLY A 7 -4.644 23.190 -5.006 1.00 0.00 O ATOM 0 H GLY A 7 -3.644 26.222 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.058 24.617 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.051 24.596 -4.404 1.00 0.00 H new ATOM 66 N PHE A 8 -2.740 22.164 -5.625 1.00 0.00 N ATOM 67 CA PHE A 8 -3.343 20.837 -5.678 1.00 0.00 C ATOM 68 C PHE A 8 -2.512 19.831 -4.887 1.00 0.00 C ATOM 69 O PHE A 8 -1.515 20.188 -4.259 1.00 0.00 O ATOM 70 CB PHE A 8 -3.481 20.374 -7.129 1.00 0.00 C ATOM 71 CG PHE A 8 -4.466 21.181 -7.925 1.00 0.00 C ATOM 72 CD1 PHE A 8 -4.101 22.402 -8.469 1.00 0.00 C ATOM 73 CD2 PHE A 8 -5.756 20.720 -8.130 1.00 0.00 C ATOM 74 CE1 PHE A 8 -5.005 23.148 -9.202 1.00 0.00 C ATOM 75 CE2 PHE A 8 -6.665 21.461 -8.862 1.00 0.00 C ATOM 76 CZ PHE A 8 -6.288 22.676 -9.399 1.00 0.00 C ATOM 0 H PHE A 8 -1.748 22.186 -5.863 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.334 20.897 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.506 20.426 -7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.787 19.328 -7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.099 22.775 -8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.055 19.770 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.708 24.099 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.668 21.090 -9.014 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.996 23.257 -9.972 1.00 0.00 H new ATOM 86 N LYS A 9 -2.930 18.570 -4.922 1.00 0.00 N ATOM 87 CA LYS A 9 -2.226 17.510 -4.211 1.00 0.00 C ATOM 88 C LYS A 9 -2.659 16.137 -4.715 1.00 0.00 C ATOM 89 O LYS A 9 -3.783 15.963 -5.186 1.00 0.00 O ATOM 90 CB LYS A 9 -2.485 17.617 -2.707 1.00 0.00 C ATOM 91 CG LYS A 9 -1.717 16.599 -1.883 1.00 0.00 C ATOM 92 CD LYS A 9 -1.864 16.861 -0.393 1.00 0.00 C ATOM 93 CE LYS A 9 -1.382 15.678 0.432 1.00 0.00 C ATOM 94 NZ LYS A 9 -2.454 14.662 0.623 1.00 0.00 N ATOM 0 H LYS A 9 -3.754 18.257 -5.436 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.159 17.627 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.218 18.619 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.552 17.492 -2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.077 15.597 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.662 16.630 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.296 17.751 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.909 17.067 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.527 15.216 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.037 16.030 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.086 13.872 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.260 15.096 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.765 14.308 -0.304 1.00 0.00 H new ATOM 108 N VAL A 10 -1.760 15.163 -4.611 1.00 0.00 N ATOM 109 CA VAL A 10 -2.049 13.804 -5.054 1.00 0.00 C ATOM 110 C VAL A 10 -1.669 12.785 -3.986 1.00 0.00 C ATOM 111 O VAL A 10 -0.517 12.697 -3.559 1.00 0.00 O ATOM 112 CB VAL A 10 -1.302 13.468 -6.359 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.158 13.153 -6.072 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.976 12.307 -7.074 1.00 0.00 C ATOM 0 H VAL A 10 -0.825 15.290 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.123 13.752 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.339 14.339 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.670 12.918 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.632 14.017 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.220 12.298 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.436 12.083 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.971 11.429 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.005 12.575 -7.314 1.00 0.00 H new ATOM 124 N PRO A 11 -2.658 11.995 -3.543 1.00 0.00 N ATOM 125 CA PRO A 11 -2.451 10.966 -2.519 1.00 0.00 C ATOM 126 C PRO A 11 -1.615 9.798 -3.032 1.00 0.00 C ATOM 127 O PRO A 11 -1.519 9.553 -4.235 1.00 0.00 O ATOM 128 CB PRO A 11 -3.872 10.503 -2.190 1.00 0.00 C ATOM 129 CG PRO A 11 -4.662 10.803 -3.416 1.00 0.00 C ATOM 130 CD PRO A 11 -4.054 12.045 -4.007 1.00 0.00 C ATOM 0 HA PRO A 11 -1.903 11.351 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.897 9.439 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.270 11.031 -1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.618 9.973 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.713 10.960 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.116 12.044 -5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.561 12.945 -3.660 1.00 0.00 H new ATOM 138 N PRO A 12 -0.996 9.059 -2.100 1.00 0.00 N ATOM 139 CA PRO A 12 -0.158 7.903 -2.435 1.00 0.00 C ATOM 140 C PRO A 12 -0.975 6.729 -2.964 1.00 0.00 C ATOM 141 O PRO A 12 -0.421 5.755 -3.475 1.00 0.00 O ATOM 142 CB PRO A 12 0.496 7.541 -1.099 1.00 0.00 C ATOM 143 CG PRO A 12 -0.446 8.054 -0.065 1.00 0.00 C ATOM 144 CD PRO A 12 -1.066 9.293 -0.648 1.00 0.00 C ATOM 0 HA PRO A 12 0.556 8.132 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.637 6.464 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.479 8.001 -1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.208 7.311 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.079 8.280 0.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.094 9.424 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.519 10.190 -0.359 1.00 0.00 H new ATOM 152 N PHE A 13 -2.294 6.828 -2.840 1.00 0.00 N ATOM 153 CA PHE A 13 -3.187 5.774 -3.306 1.00 0.00 C ATOM 154 C PHE A 13 -4.165 6.310 -4.347 1.00 0.00 C ATOM 155 O PHE A 13 -5.248 5.757 -4.538 1.00 0.00 O ATOM 156 CB PHE A 13 -3.956 5.171 -2.129 1.00 0.00 C ATOM 157 CG PHE A 13 -3.068 4.589 -1.066 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.920 3.892 -1.409 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.381 4.738 0.275 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.100 3.356 -0.434 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.564 4.205 1.254 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.424 3.512 0.899 1.00 0.00 C ATOM 0 H PHE A 13 -2.768 7.628 -2.421 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.580 4.997 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.585 5.942 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.622 4.392 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.663 3.766 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.273 5.277 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.208 2.816 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.817 4.331 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.786 3.092 1.663 1.00 0.00 H new ATOM 172 N GLN A 14 -3.775 7.390 -5.015 1.00 0.00 N ATOM 173 CA GLN A 14 -4.618 8.002 -6.035 1.00 0.00 C ATOM 174 C GLN A 14 -5.087 6.964 -7.049 1.00 0.00 C ATOM 175 O GLN A 14 -4.278 6.363 -7.757 1.00 0.00 O ATOM 176 CB GLN A 14 -3.860 9.123 -6.749 1.00 0.00 C ATOM 177 CG GLN A 14 -4.585 9.666 -7.970 1.00 0.00 C ATOM 178 CD GLN A 14 -3.674 10.465 -8.881 1.00 0.00 C ATOM 179 OE1 GLN A 14 -3.965 11.614 -9.217 1.00 0.00 O ATOM 180 NE2 GLN A 14 -2.564 9.860 -9.288 1.00 0.00 N ATOM 0 H GLN A 14 -2.881 7.859 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.494 8.423 -5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.688 9.938 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.881 8.752 -7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.017 8.837 -8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.413 10.297 -7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.362 8.907 -8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.913 10.348 -9.903 1.00 0.00 H new ATOM 189 N ASP A 15 -6.398 6.757 -7.114 1.00 0.00 N ATOM 190 CA ASP A 15 -6.975 5.791 -8.041 1.00 0.00 C ATOM 191 C ASP A 15 -6.282 4.437 -7.917 1.00 0.00 C ATOM 192 O ASP A 15 -6.115 3.721 -8.905 1.00 0.00 O ATOM 193 CB ASP A 15 -6.865 6.303 -9.478 1.00 0.00 C ATOM 194 CG ASP A 15 -7.574 7.629 -9.675 1.00 0.00 C ATOM 195 OD1 ASP A 15 -7.386 8.534 -8.835 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.317 7.762 -10.670 1.00 0.00 O ATOM 0 H ASP A 15 -7.081 7.246 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.028 5.665 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.813 6.414 -9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.288 5.563 -10.158 1.00 0.00 H new ATOM 201 N CYS A 16 -5.879 4.094 -6.699 1.00 0.00 N ATOM 202 CA CYS A 16 -5.202 2.827 -6.445 1.00 0.00 C ATOM 203 C CYS A 16 -5.894 2.055 -5.327 1.00 0.00 C ATOM 204 O CYS A 16 -6.304 2.635 -4.321 1.00 0.00 O ATOM 205 CB CYS A 16 -3.737 3.072 -6.082 1.00 0.00 C ATOM 206 SG CYS A 16 -2.728 3.678 -7.455 1.00 0.00 S ATOM 0 H CYS A 16 -6.009 4.676 -5.871 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.248 2.230 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.692 3.793 -5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.305 2.143 -5.710 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.157 4.848 -7.826 1.00 0.00 H new ATOM 212 N ILE A 17 -6.021 0.745 -5.510 1.00 0.00 N ATOM 213 CA ILE A 17 -6.663 -0.106 -4.516 1.00 0.00 C ATOM 214 C ILE A 17 -5.641 -0.975 -3.792 1.00 0.00 C ATOM 215 O ILE A 17 -4.668 -1.436 -4.391 1.00 0.00 O ATOM 216 CB ILE A 17 -7.730 -1.013 -5.157 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.786 -0.169 -5.872 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.377 -1.897 -4.102 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.441 -0.879 -7.037 1.00 0.00 C ATOM 0 H ILE A 17 -5.688 0.250 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.145 0.557 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.245 -1.654 -5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.554 0.120 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.323 0.750 -6.231 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.129 -2.532 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.616 -2.521 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.851 -1.272 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.179 -0.221 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.683 -1.145 -7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.934 -1.784 -6.681 1.00 0.00 H new ATOM 231 N LEU A 18 -5.868 -1.196 -2.503 1.00 0.00 N ATOM 232 CA LEU A 18 -4.967 -2.013 -1.696 1.00 0.00 C ATOM 233 C LEU A 18 -5.737 -3.094 -0.945 1.00 0.00 C ATOM 234 O LEU A 18 -6.697 -2.804 -0.232 1.00 0.00 O ATOM 235 CB LEU A 18 -4.200 -1.135 -0.705 1.00 0.00 C ATOM 236 CG LEU A 18 -3.335 -0.032 -1.316 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.419 -0.603 -2.386 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.209 1.073 -1.893 1.00 0.00 C ATOM 0 H LEU A 18 -6.668 -0.821 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.258 -2.498 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.919 -0.673 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.560 -1.778 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.716 0.396 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.811 0.197 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.769 -1.358 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.019 -1.058 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.577 1.850 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.854 0.659 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.823 1.502 -1.101 1.00 0.00 H new ATOM 250 N SER A 19 -5.308 -4.341 -1.109 1.00 0.00 N ATOM 251 CA SER A 19 -5.959 -5.466 -0.448 1.00 0.00 C ATOM 252 C SER A 19 -5.086 -6.014 0.677 1.00 0.00 C ATOM 253 O SER A 19 -3.861 -5.886 0.647 1.00 0.00 O ATOM 254 CB SER A 19 -6.261 -6.574 -1.459 1.00 0.00 C ATOM 255 OG SER A 19 -5.216 -6.699 -2.407 1.00 0.00 O ATOM 0 H SER A 19 -4.513 -4.598 -1.694 1.00 0.00 H new ATOM 0 HA SER A 19 -6.896 -5.110 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.397 -7.521 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.198 -6.357 -1.972 1.00 0.00 H new ATOM 0 HG SER A 19 -5.487 -7.323 -3.113 1.00 0.00 H new ATOM 261 N PHE A 20 -5.724 -6.624 1.670 1.00 0.00 N ATOM 262 CA PHE A 20 -5.008 -7.191 2.806 1.00 0.00 C ATOM 263 C PHE A 20 -5.461 -8.622 3.077 1.00 0.00 C ATOM 264 O PHE A 20 -6.659 -8.904 3.146 1.00 0.00 O ATOM 265 CB PHE A 20 -5.224 -6.331 4.053 1.00 0.00 C ATOM 266 CG PHE A 20 -5.151 -4.855 3.784 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.950 -4.260 3.434 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.283 -4.063 3.882 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.879 -2.903 3.185 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.219 -2.705 3.634 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.015 -2.124 3.286 1.00 0.00 C ATOM 0 H PHE A 20 -6.737 -6.738 1.711 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.946 -7.206 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.198 -6.566 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.475 -6.594 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.058 -4.864 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.227 -4.512 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.937 -2.452 2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.109 -2.099 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.962 -1.063 3.093 1.00 0.00 H new ATOM 281 N LEU A 21 -4.497 -9.523 3.229 1.00 0.00 N ATOM 282 CA LEU A 21 -4.796 -10.927 3.491 1.00 0.00 C ATOM 283 C LEU A 21 -3.902 -11.476 4.598 1.00 0.00 C ATOM 284 O LEU A 21 -2.692 -11.612 4.423 1.00 0.00 O ATOM 285 CB LEU A 21 -4.617 -11.754 2.217 1.00 0.00 C ATOM 286 CG LEU A 21 -4.372 -13.250 2.417 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.675 -13.967 2.732 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.714 -13.852 1.184 1.00 0.00 C ATOM 0 H LEU A 21 -3.502 -9.307 3.175 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.833 -10.997 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.507 -11.631 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.780 -11.341 1.654 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.697 -13.378 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.481 -15.030 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.106 -13.555 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.374 -13.831 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.547 -14.917 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.364 -13.712 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.759 -13.358 1.003 1.00 0.00 H new ATOM 300 N GLY A 22 -4.507 -11.794 5.739 1.00 0.00 N ATOM 301 CA GLY A 22 -3.751 -12.327 6.857 1.00 0.00 C ATOM 302 C GLY A 22 -4.017 -11.577 8.147 1.00 0.00 C ATOM 303 O GLY A 22 -4.386 -12.177 9.157 1.00 0.00 O ATOM 0 H GLY A 22 -5.508 -11.692 5.909 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.003 -13.379 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.687 -12.281 6.627 1.00 0.00 H new ATOM 307 N PHE A 23 -3.829 -10.262 8.115 1.00 0.00 N ATOM 308 CA PHE A 23 -4.049 -9.430 9.292 1.00 0.00 C ATOM 309 C PHE A 23 -5.407 -9.725 9.921 1.00 0.00 C ATOM 310 O PHE A 23 -6.313 -10.231 9.259 1.00 0.00 O ATOM 311 CB PHE A 23 -3.958 -7.949 8.919 1.00 0.00 C ATOM 312 CG PHE A 23 -2.863 -7.644 7.936 1.00 0.00 C ATOM 313 CD1 PHE A 23 -1.588 -7.329 8.376 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.110 -7.673 6.573 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.579 -7.047 7.474 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.105 -7.393 5.666 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.838 -7.080 6.117 1.00 0.00 C ATOM 0 H PHE A 23 -3.525 -9.750 7.287 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.273 -9.663 10.021 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.912 -7.629 8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.796 -7.364 9.824 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.380 -7.303 9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.099 -7.917 6.215 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.411 -6.801 7.830 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.311 -7.419 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.051 -6.861 5.411 1.00 0.00 H new ATOM 327 N SER A 24 -5.540 -9.405 11.204 1.00 0.00 N ATOM 328 CA SER A 24 -6.786 -9.639 11.925 1.00 0.00 C ATOM 329 C SER A 24 -7.833 -8.593 11.556 1.00 0.00 C ATOM 330 O SER A 24 -7.523 -7.408 11.423 1.00 0.00 O ATOM 331 CB SER A 24 -6.538 -9.618 13.435 1.00 0.00 C ATOM 332 OG SER A 24 -7.472 -10.437 14.117 1.00 0.00 O ATOM 0 H SER A 24 -4.801 -8.983 11.766 1.00 0.00 H new ATOM 0 HA SER A 24 -7.163 -10.621 11.639 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.526 -9.963 13.645 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.609 -8.595 13.804 1.00 0.00 H new ATOM 0 HG SER A 24 -7.291 -10.408 15.080 1.00 0.00 H new ATOM 338 N ASP A 25 -9.073 -9.039 11.390 1.00 0.00 N ATOM 339 CA ASP A 25 -10.167 -8.142 11.037 1.00 0.00 C ATOM 340 C ASP A 25 -10.036 -6.810 11.769 1.00 0.00 C ATOM 341 O ASP A 25 -10.356 -5.756 11.220 1.00 0.00 O ATOM 342 CB ASP A 25 -11.513 -8.790 11.367 1.00 0.00 C ATOM 343 CG ASP A 25 -11.890 -9.877 10.381 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.064 -10.788 10.157 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.010 -9.819 9.833 1.00 0.00 O ATOM 0 H ASP A 25 -9.346 -10.016 11.494 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.117 -7.953 9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.473 -9.212 12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.289 -8.025 11.374 1.00 0.00 H new ATOM 350 N GLU A 26 -9.565 -6.867 13.010 1.00 0.00 N ATOM 351 CA GLU A 26 -9.394 -5.664 13.818 1.00 0.00 C ATOM 352 C GLU A 26 -8.254 -4.805 13.279 1.00 0.00 C ATOM 353 O GLU A 26 -8.361 -3.581 13.221 1.00 0.00 O ATOM 354 CB GLU A 26 -9.121 -6.037 15.276 1.00 0.00 C ATOM 355 CG GLU A 26 -7.959 -7.001 15.451 1.00 0.00 C ATOM 356 CD GLU A 26 -7.694 -7.336 16.906 1.00 0.00 C ATOM 357 OE1 GLU A 26 -7.887 -6.449 17.764 1.00 0.00 O ATOM 358 OE2 GLU A 26 -7.293 -8.485 17.187 1.00 0.00 O ATOM 0 H GLU A 26 -9.295 -7.732 13.478 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.317 -5.087 13.765 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.917 -5.128 15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.019 -6.483 15.702 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.168 -7.920 14.903 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.061 -6.565 15.013 1.00 0.00 H new ATOM 365 N GLU A 27 -7.163 -5.457 12.887 1.00 0.00 N ATOM 366 CA GLU A 27 -6.003 -4.752 12.355 1.00 0.00 C ATOM 367 C GLU A 27 -6.284 -4.224 10.951 1.00 0.00 C ATOM 368 O GLU A 27 -5.850 -3.131 10.587 1.00 0.00 O ATOM 369 CB GLU A 27 -4.784 -5.677 12.329 1.00 0.00 C ATOM 370 CG GLU A 27 -3.967 -5.642 13.610 1.00 0.00 C ATOM 371 CD GLU A 27 -4.813 -5.869 14.848 1.00 0.00 C ATOM 372 OE1 GLU A 27 -5.524 -4.929 15.262 1.00 0.00 O ATOM 373 OE2 GLU A 27 -4.763 -6.986 15.403 1.00 0.00 O ATOM 0 H GLU A 27 -7.059 -6.471 12.928 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.794 -3.905 13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.117 -6.699 12.148 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.144 -5.398 11.492 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.189 -6.404 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.464 -4.678 13.690 1.00 0.00 H new ATOM 380 N LYS A 28 -7.013 -5.009 10.165 1.00 0.00 N ATOM 381 CA LYS A 28 -7.354 -4.623 8.801 1.00 0.00 C ATOM 382 C LYS A 28 -8.294 -3.422 8.794 1.00 0.00 C ATOM 383 O LYS A 28 -8.041 -2.464 8.064 1.00 0.00 O ATOM 384 CB LYS A 28 -8.003 -5.797 8.064 1.00 0.00 C ATOM 385 CG LYS A 28 -8.106 -5.590 6.562 1.00 0.00 C ATOM 386 CD LYS A 28 -9.317 -6.302 5.983 1.00 0.00 C ATOM 387 CE LYS A 28 -9.252 -7.802 6.227 1.00 0.00 C ATOM 388 NZ LYS A 28 -8.465 -8.501 5.173 1.00 0.00 N ATOM 0 H LYS A 28 -7.379 -5.917 10.450 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.434 -4.344 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.426 -6.701 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.001 -5.962 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.171 -4.524 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.201 -5.959 6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.226 -5.899 6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.376 -6.109 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.803 -7.992 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.263 -8.210 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.074 -9.186 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.105 -7.805 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.665 -9.001 5.611 1.00 0.00 H new ATOM 402 N HIS A 29 -9.344 -3.496 9.598 1.00 0.00 N ATOM 403 CA HIS A 29 -10.306 -2.410 9.675 1.00 0.00 C ATOM 404 C HIS A 29 -9.579 -1.070 9.538 1.00 0.00 C ATOM 405 O HIS A 29 -9.871 -0.256 8.662 1.00 0.00 O ATOM 406 CB HIS A 29 -11.134 -2.507 10.958 1.00 0.00 C ATOM 407 CG HIS A 29 -11.985 -1.290 11.233 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.363 -1.294 11.106 1.00 0.00 N ATOM 409 CD2 HIS A 29 -11.639 -0.032 11.631 1.00 0.00 C ATOM 410 CE1 HIS A 29 -13.815 -0.088 11.415 1.00 0.00 C ATOM 411 NE2 HIS A 29 -12.745 0.693 11.739 1.00 0.00 N ATOM 0 H HIS A 29 -9.550 -4.292 10.202 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.013 -2.487 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.780 -3.383 10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.462 -2.666 11.801 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.635 0.315 11.825 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.849 0.222 11.411 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -12.788 1.673 12.018 1.00 0.00 H new ATOM 419 N SER A 30 -8.618 -0.859 10.431 1.00 0.00 N ATOM 420 CA SER A 30 -7.835 0.371 10.435 1.00 0.00 C ATOM 421 C SER A 30 -7.245 0.644 9.055 1.00 0.00 C ATOM 422 O SER A 30 -7.290 1.770 8.561 1.00 0.00 O ATOM 423 CB SER A 30 -6.716 0.285 11.474 1.00 0.00 C ATOM 424 OG SER A 30 -6.212 1.572 11.789 1.00 0.00 O ATOM 0 H SER A 30 -8.363 -1.524 11.161 1.00 0.00 H new ATOM 0 HA SER A 30 -8.499 1.195 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.091 -0.193 12.379 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.909 -0.342 11.093 1.00 0.00 H new ATOM 0 HG SER A 30 -5.499 1.490 12.456 1.00 0.00 H new ATOM 430 N MET A 31 -6.691 -0.395 8.440 1.00 0.00 N ATOM 431 CA MET A 31 -6.091 -0.268 7.116 1.00 0.00 C ATOM 432 C MET A 31 -7.123 0.202 6.096 1.00 0.00 C ATOM 433 O MET A 31 -6.936 1.226 5.439 1.00 0.00 O ATOM 434 CB MET A 31 -5.492 -1.605 6.675 1.00 0.00 C ATOM 435 CG MET A 31 -4.542 -2.212 7.694 1.00 0.00 C ATOM 436 SD MET A 31 -4.020 -3.880 7.251 1.00 0.00 S ATOM 437 CE MET A 31 -2.405 -3.554 6.549 1.00 0.00 C ATOM 0 H MET A 31 -6.645 -1.334 8.836 1.00 0.00 H new ATOM 0 HA MET A 31 -5.297 0.476 7.173 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.301 -2.309 6.480 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.960 -1.463 5.734 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.663 -1.574 7.790 1.00 0.00 H new ATOM 0 HG3 MET A 31 -5.028 -2.235 8.669 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.873 -4.495 6.407 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.520 -3.054 5.587 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.837 -2.914 7.225 1.00 0.00 H new ATOM 447 N GLU A 32 -8.209 -0.553 5.967 1.00 0.00 N ATOM 448 CA GLU A 32 -9.268 -0.213 5.025 1.00 0.00 C ATOM 449 C GLU A 32 -9.669 1.253 5.163 1.00 0.00 C ATOM 450 O GLU A 32 -9.670 2.002 4.187 1.00 0.00 O ATOM 451 CB GLU A 32 -10.488 -1.110 5.248 1.00 0.00 C ATOM 452 CG GLU A 32 -10.217 -2.581 4.984 1.00 0.00 C ATOM 453 CD GLU A 32 -11.467 -3.341 4.583 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.535 -3.081 5.176 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.377 -4.196 3.677 1.00 0.00 O ATOM 0 H GLU A 32 -8.378 -1.404 6.503 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.887 -0.374 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.833 -0.991 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.298 -0.776 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.471 -2.673 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.792 -3.035 5.879 1.00 0.00 H new ATOM 462 N GLU A 33 -10.010 1.654 6.384 1.00 0.00 N ATOM 463 CA GLU A 33 -10.415 3.030 6.650 1.00 0.00 C ATOM 464 C GLU A 33 -9.322 4.009 6.231 1.00 0.00 C ATOM 465 O GLU A 33 -9.602 5.053 5.643 1.00 0.00 O ATOM 466 CB GLU A 33 -10.736 3.212 8.135 1.00 0.00 C ATOM 467 CG GLU A 33 -11.940 2.411 8.600 1.00 0.00 C ATOM 468 CD GLU A 33 -13.252 3.127 8.343 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.316 3.922 7.382 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.215 2.892 9.103 1.00 0.00 O ATOM 0 H GLU A 33 -10.014 1.047 7.203 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.310 3.239 6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.867 2.920 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.915 4.269 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.950 1.448 8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.845 2.206 9.666 1.00 0.00 H new ATOM 477 N MET A 34 -8.076 3.663 6.538 1.00 0.00 N ATOM 478 CA MET A 34 -6.941 4.511 6.193 1.00 0.00 C ATOM 479 C MET A 34 -6.868 4.734 4.686 1.00 0.00 C ATOM 480 O MET A 34 -6.957 5.867 4.210 1.00 0.00 O ATOM 481 CB MET A 34 -5.638 3.883 6.691 1.00 0.00 C ATOM 482 CG MET A 34 -4.542 4.899 6.971 1.00 0.00 C ATOM 483 SD MET A 34 -4.700 5.659 8.598 1.00 0.00 S ATOM 484 CE MET A 34 -3.605 4.622 9.565 1.00 0.00 C ATOM 0 H MET A 34 -7.827 2.802 7.025 1.00 0.00 H new ATOM 0 HA MET A 34 -7.079 5.477 6.679 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.841 3.319 7.602 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.280 3.170 5.948 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.571 4.410 6.895 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.568 5.676 6.207 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.596 4.967 10.599 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.956 3.591 9.530 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.596 4.676 9.155 1.00 0.00 H new ATOM 494 N THR A 35 -6.705 3.647 3.938 1.00 0.00 N ATOM 495 CA THR A 35 -6.618 3.725 2.485 1.00 0.00 C ATOM 496 C THR A 35 -7.545 4.803 1.936 1.00 0.00 C ATOM 497 O THR A 35 -7.236 5.449 0.935 1.00 0.00 O ATOM 498 CB THR A 35 -6.970 2.377 1.829 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.096 1.352 2.314 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.862 2.468 0.314 1.00 0.00 C ATOM 0 H THR A 35 -6.631 2.702 4.315 1.00 0.00 H new ATOM 0 HA THR A 35 -5.586 3.980 2.243 1.00 0.00 H new ATOM 0 HB THR A 35 -7.999 2.129 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.328 0.498 1.893 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.115 1.504 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.551 3.228 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.843 2.737 0.037 1.00 0.00 H new ATOM 508 N GLU A 36 -8.683 4.991 2.597 1.00 0.00 N ATOM 509 CA GLU A 36 -9.656 5.992 2.173 1.00 0.00 C ATOM 510 C GLU A 36 -9.187 7.396 2.541 1.00 0.00 C ATOM 511 O GLU A 36 -8.940 8.228 1.669 1.00 0.00 O ATOM 512 CB GLU A 36 -11.018 5.713 2.811 1.00 0.00 C ATOM 513 CG GLU A 36 -11.892 4.775 1.996 1.00 0.00 C ATOM 514 CD GLU A 36 -12.761 5.511 0.994 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.463 6.460 1.402 1.00 0.00 O ATOM 516 OE2 GLU A 36 -12.739 5.139 -0.198 1.00 0.00 O ATOM 0 H GLU A 36 -8.954 4.464 3.427 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.752 5.933 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.865 5.284 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.545 6.657 2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.259 4.062 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.528 4.200 2.669 1.00 0.00 H new ATOM 523 N MET A 37 -9.066 7.652 3.840 1.00 0.00 N ATOM 524 CA MET A 37 -8.626 8.955 4.324 1.00 0.00 C ATOM 525 C MET A 37 -7.406 9.440 3.548 1.00 0.00 C ATOM 526 O MET A 37 -7.283 10.627 3.247 1.00 0.00 O ATOM 527 CB MET A 37 -8.300 8.885 5.817 1.00 0.00 C ATOM 528 CG MET A 37 -6.901 8.368 6.110 1.00 0.00 C ATOM 529 SD MET A 37 -6.431 8.575 7.838 1.00 0.00 S ATOM 530 CE MET A 37 -7.792 7.751 8.660 1.00 0.00 C ATOM 0 H MET A 37 -9.266 6.974 4.576 1.00 0.00 H new ATOM 0 HA MET A 37 -9.439 9.665 4.170 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.410 9.879 6.251 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.027 8.240 6.310 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.846 7.312 5.847 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.184 8.892 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.436 7.292 9.582 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.570 8.478 8.893 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.200 6.980 8.006 1.00 0.00 H new ATOM 540 N GLN A 38 -6.508 8.515 3.227 1.00 0.00 N ATOM 541 CA GLN A 38 -5.298 8.850 2.486 1.00 0.00 C ATOM 542 C GLN A 38 -5.637 9.346 1.085 1.00 0.00 C ATOM 543 O GLN A 38 -5.178 10.406 0.663 1.00 0.00 O ATOM 544 CB GLN A 38 -4.374 7.633 2.400 1.00 0.00 C ATOM 545 CG GLN A 38 -4.013 7.046 3.755 1.00 0.00 C ATOM 546 CD GLN A 38 -3.242 8.019 4.625 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.306 8.673 4.166 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.631 8.118 5.891 1.00 0.00 N ATOM 0 H GLN A 38 -6.595 7.528 3.468 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.785 9.650 3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.856 6.864 1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.459 7.918 1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.925 6.746 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.418 6.144 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.412 7.557 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.148 8.755 6.524 1.00 0.00 H new ATOM 557 N GLY A 39 -6.444 8.571 0.367 1.00 0.00 N ATOM 558 CA GLY A 39 -6.831 8.948 -0.980 1.00 0.00 C ATOM 559 C GLY A 39 -6.896 7.760 -1.919 1.00 0.00 C ATOM 560 O GLY A 39 -6.464 7.844 -3.068 1.00 0.00 O ATOM 0 H GLY A 39 -6.837 7.688 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.804 9.438 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.119 9.676 -1.369 1.00 0.00 H new ATOM 564 N GLY A 40 -7.436 6.649 -1.429 1.00 0.00 N ATOM 565 CA GLY A 40 -7.543 5.454 -2.245 1.00 0.00 C ATOM 566 C GLY A 40 -8.710 4.576 -1.837 1.00 0.00 C ATOM 567 O GLY A 40 -9.435 4.894 -0.894 1.00 0.00 O ATOM 0 H GLY A 40 -7.801 6.555 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.656 5.741 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.618 4.882 -2.169 1.00 0.00 H new ATOM 571 N SER A 41 -8.894 3.470 -2.550 1.00 0.00 N ATOM 572 CA SER A 41 -9.985 2.547 -2.261 1.00 0.00 C ATOM 573 C SER A 41 -9.446 1.197 -1.796 1.00 0.00 C ATOM 574 O SER A 41 -8.253 0.919 -1.915 1.00 0.00 O ATOM 575 CB SER A 41 -10.864 2.358 -3.499 1.00 0.00 C ATOM 576 OG SER A 41 -11.417 3.592 -3.924 1.00 0.00 O ATOM 0 H SER A 41 -8.302 3.191 -3.332 1.00 0.00 H new ATOM 0 HA SER A 41 -10.586 2.975 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.273 1.923 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.666 1.654 -3.276 1.00 0.00 H new ATOM 0 HG SER A 41 -11.973 3.445 -4.717 1.00 0.00 H new ATOM 582 N TYR A 42 -10.334 0.363 -1.267 1.00 0.00 N ATOM 583 CA TYR A 42 -9.949 -0.956 -0.781 1.00 0.00 C ATOM 584 C TYR A 42 -10.995 -2.002 -1.156 1.00 0.00 C ATOM 585 O TYR A 42 -12.196 -1.778 -1.003 1.00 0.00 O ATOM 586 CB TYR A 42 -9.760 -0.929 0.736 1.00 0.00 C ATOM 587 CG TYR A 42 -10.996 -0.498 1.493 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.016 -1.399 1.768 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.142 0.812 1.934 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.147 -1.009 2.458 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.269 1.211 2.626 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.269 0.297 2.885 1.00 0.00 C ATOM 593 OH TYR A 42 -14.394 0.690 3.574 1.00 0.00 O ATOM 0 H TYR A 42 -11.326 0.577 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.005 -1.227 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.465 -1.922 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.941 -0.253 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.923 -2.423 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.361 1.530 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.932 -1.723 2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.367 2.233 2.962 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.322 1.640 3.803 1.00 0.00 H new ATOM 603 N LEU A 43 -10.529 -3.145 -1.648 1.00 0.00 N ATOM 604 CA LEU A 43 -11.423 -4.227 -2.045 1.00 0.00 C ATOM 605 C LEU A 43 -11.021 -5.538 -1.376 1.00 0.00 C ATOM 606 O LEU A 43 -9.890 -5.711 -0.924 1.00 0.00 O ATOM 607 CB LEU A 43 -11.411 -4.393 -3.566 1.00 0.00 C ATOM 608 CG LEU A 43 -12.387 -3.510 -4.345 1.00 0.00 C ATOM 609 CD1 LEU A 43 -12.116 -3.603 -5.838 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.824 -3.903 -4.036 1.00 0.00 C ATOM 0 H LEU A 43 -9.538 -3.346 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.432 -3.969 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.402 -4.190 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.629 -5.435 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.239 -2.476 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.820 -2.968 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.098 -3.272 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.235 -4.636 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.505 -3.264 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.985 -4.943 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.013 -3.783 -2.969 1.00 0.00 H new ATOM 622 N PRO A 44 -11.969 -6.485 -1.313 1.00 0.00 N ATOM 623 CA PRO A 44 -11.737 -7.798 -0.704 1.00 0.00 C ATOM 624 C PRO A 44 -10.791 -8.662 -1.531 1.00 0.00 C ATOM 625 O PRO A 44 -10.763 -8.569 -2.758 1.00 0.00 O ATOM 626 CB PRO A 44 -13.134 -8.422 -0.663 1.00 0.00 C ATOM 627 CG PRO A 44 -13.882 -7.748 -1.761 1.00 0.00 C ATOM 628 CD PRO A 44 -13.341 -6.347 -1.831 1.00 0.00 C ATOM 0 HA PRO A 44 -11.263 -7.715 0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.091 -9.500 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.613 -8.257 0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.739 -8.269 -2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.953 -7.743 -1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.349 -5.964 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.931 -5.658 -1.227 1.00 0.00 H new ATOM 636 N VAL A 45 -10.017 -9.502 -0.851 1.00 0.00 N ATOM 637 CA VAL A 45 -9.071 -10.384 -1.524 1.00 0.00 C ATOM 638 C VAL A 45 -9.766 -11.226 -2.588 1.00 0.00 C ATOM 639 O VAL A 45 -10.948 -11.545 -2.468 1.00 0.00 O ATOM 640 CB VAL A 45 -8.366 -11.319 -0.523 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.360 -12.207 -1.239 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.691 -10.512 0.575 1.00 0.00 C ATOM 0 H VAL A 45 -10.027 -9.590 0.165 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.326 -9.746 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.116 -11.961 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.872 -12.860 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.875 -12.812 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.611 -11.586 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.198 -11.189 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.951 -9.844 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.439 -9.924 1.107 1.00 0.00 H new ATOM 652 N GLY A 46 -9.022 -11.585 -3.630 1.00 0.00 N ATOM 653 CA GLY A 46 -9.583 -12.388 -4.701 1.00 0.00 C ATOM 654 C GLY A 46 -9.968 -11.557 -5.909 1.00 0.00 C ATOM 655 O GLY A 46 -9.599 -11.882 -7.037 1.00 0.00 O ATOM 0 H GLY A 46 -8.041 -11.334 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.858 -13.145 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.462 -12.916 -4.332 1.00 0.00 H new ATOM 659 N ASP A 47 -10.712 -10.482 -5.672 1.00 0.00 N ATOM 660 CA ASP A 47 -11.148 -9.602 -6.750 1.00 0.00 C ATOM 661 C ASP A 47 -9.981 -9.242 -7.664 1.00 0.00 C ATOM 662 O ASP A 47 -8.818 -9.379 -7.283 1.00 0.00 O ATOM 663 CB ASP A 47 -11.774 -8.330 -6.177 1.00 0.00 C ATOM 664 CG ASP A 47 -12.667 -7.622 -7.177 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.520 -8.297 -7.792 1.00 0.00 O ATOM 666 OD2 ASP A 47 -12.515 -6.394 -7.344 1.00 0.00 O ATOM 0 H ASP A 47 -11.026 -10.199 -4.744 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.896 -10.133 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.355 -8.583 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.983 -7.652 -5.857 1.00 0.00 H new ATOM 671 N GLU A 48 -10.299 -8.782 -8.870 1.00 0.00 N ATOM 672 CA GLU A 48 -9.276 -8.405 -9.837 1.00 0.00 C ATOM 673 C GLU A 48 -9.108 -6.889 -9.889 1.00 0.00 C ATOM 674 O GLU A 48 -8.014 -6.383 -10.139 1.00 0.00 O ATOM 675 CB GLU A 48 -9.635 -8.937 -11.226 1.00 0.00 C ATOM 676 CG GLU A 48 -10.949 -8.397 -11.764 1.00 0.00 C ATOM 677 CD GLU A 48 -11.440 -9.160 -12.979 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.859 -8.976 -14.069 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.404 -9.941 -12.840 1.00 0.00 O ATOM 0 H GLU A 48 -11.257 -8.662 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.332 -8.847 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.835 -8.682 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.688 -10.025 -11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.705 -8.444 -10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.826 -7.346 -12.025 1.00 0.00 H new ATOM 686 N ARG A 49 -10.201 -6.171 -9.652 1.00 0.00 N ATOM 687 CA ARG A 49 -10.177 -4.713 -9.674 1.00 0.00 C ATOM 688 C ARG A 49 -8.977 -4.178 -8.897 1.00 0.00 C ATOM 689 O ARG A 49 -8.380 -3.170 -9.275 1.00 0.00 O ATOM 690 CB ARG A 49 -11.471 -4.152 -9.084 1.00 0.00 C ATOM 691 CG ARG A 49 -12.714 -4.527 -9.874 1.00 0.00 C ATOM 692 CD ARG A 49 -13.931 -3.745 -9.405 1.00 0.00 C ATOM 693 NE ARG A 49 -15.056 -3.878 -10.327 1.00 0.00 N ATOM 694 CZ ARG A 49 -16.322 -3.689 -9.972 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.623 -3.362 -8.723 1.00 0.00 N ATOM 696 NH2 ARG A 49 -17.291 -3.828 -10.869 1.00 0.00 N ATOM 0 H ARG A 49 -11.114 -6.575 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.090 -4.391 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.579 -4.511 -8.061 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.397 -3.066 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.544 -4.336 -10.934 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.904 -5.595 -9.769 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.229 -4.096 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.668 -2.692 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.859 -4.130 -11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.881 -3.255 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.596 -3.218 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.063 -4.080 -11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.263 -3.683 -10.596 1.00 0.00 H new ATOM 710 N CYS A 50 -8.631 -4.859 -7.810 1.00 0.00 N ATOM 711 CA CYS A 50 -7.504 -4.452 -6.979 1.00 0.00 C ATOM 712 C CYS A 50 -6.211 -4.430 -7.789 1.00 0.00 C ATOM 713 O CYS A 50 -5.862 -5.409 -8.449 1.00 0.00 O ATOM 714 CB CYS A 50 -7.356 -5.397 -5.785 1.00 0.00 C ATOM 715 SG CYS A 50 -7.445 -7.150 -6.216 1.00 0.00 S ATOM 0 H CYS A 50 -9.115 -5.696 -7.484 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.700 -3.444 -6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.401 -5.202 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.137 -5.172 -5.059 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.689 -7.523 -6.260 1.00 0.00 H new ATOM 721 N THR A 51 -5.505 -3.305 -7.736 1.00 0.00 N ATOM 722 CA THR A 51 -4.253 -3.153 -8.466 1.00 0.00 C ATOM 723 C THR A 51 -3.076 -3.684 -7.655 1.00 0.00 C ATOM 724 O THR A 51 -2.202 -4.339 -8.221 1.00 0.00 O ATOM 725 CB THR A 51 -3.989 -1.680 -8.829 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.014 -0.872 -7.647 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.027 -1.172 -9.819 1.00 0.00 C ATOM 0 H THR A 51 -5.779 -2.485 -7.195 1.00 0.00 H new ATOM 0 HA THR A 51 -4.350 -3.733 -9.384 1.00 0.00 H new ATOM 0 HB THR A 51 -3.005 -1.614 -9.293 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.101 -0.599 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.820 -0.129 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.985 -1.770 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.020 -1.252 -9.378 1.00 0.00 H new ATOM 735 N HIS A 52 -3.078 -3.394 -6.363 1.00 0.00 N ATOM 736 CA HIS A 52 -2.006 -3.848 -5.492 1.00 0.00 C ATOM 737 C HIS A 52 -2.558 -4.855 -4.482 1.00 0.00 C ATOM 738 O HIS A 52 -3.754 -4.900 -4.190 1.00 0.00 O ATOM 739 CB HIS A 52 -1.308 -2.661 -4.826 1.00 0.00 C ATOM 740 CG HIS A 52 -0.654 -1.709 -5.797 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.351 -1.076 -6.812 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.640 -1.287 -5.899 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.506 -0.311 -7.487 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.728 -0.444 -6.920 1.00 0.00 N ATOM 0 H HIS A 52 -3.805 -2.850 -5.897 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.244 -4.358 -6.082 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.037 -2.112 -4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.552 -3.037 -4.137 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.455 -1.588 -5.257 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.751 0.309 -8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.578 0.027 -7.230 1.00 0.00 H new ATOM 752 N LEU A 53 -1.654 -5.670 -3.950 1.00 0.00 N ATOM 753 CA LEU A 53 -2.021 -6.686 -2.970 1.00 0.00 C ATOM 754 C LEU A 53 -1.012 -6.732 -1.827 1.00 0.00 C ATOM 755 O LEU A 53 0.171 -6.998 -2.042 1.00 0.00 O ATOM 756 CB LEU A 53 -2.114 -8.058 -3.639 1.00 0.00 C ATOM 757 CG LEU A 53 -2.293 -9.252 -2.701 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.310 -8.931 -1.617 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.716 -10.487 -3.483 1.00 0.00 C ATOM 0 H LEU A 53 -0.661 -5.647 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.995 -6.422 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.950 -8.043 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.209 -8.216 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.336 -9.460 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.424 -9.792 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.966 -8.075 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.270 -8.696 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.838 -11.327 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.661 -10.291 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.952 -10.729 -4.222 1.00 0.00 H new ATOM 771 N ILE A 54 -1.487 -6.472 -0.614 1.00 0.00 N ATOM 772 CA ILE A 54 -0.626 -6.487 0.562 1.00 0.00 C ATOM 773 C ILE A 54 -0.902 -7.709 1.430 1.00 0.00 C ATOM 774 O ILE A 54 -1.823 -7.709 2.248 1.00 0.00 O ATOM 775 CB ILE A 54 -0.812 -5.215 1.412 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.406 -3.977 0.611 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.000 -5.312 2.695 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.532 -3.397 -0.218 1.00 0.00 C ATOM 0 H ILE A 54 -2.463 -6.248 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 54 0.401 -6.526 0.200 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.865 -5.124 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.041 -3.213 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.423 -4.236 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.142 -4.406 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.332 -6.176 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.056 -5.424 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.172 -2.522 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.882 -4.145 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.353 -3.106 0.437 1.00 0.00 H new ATOM 790 N VAL A 55 -0.097 -8.752 1.248 1.00 0.00 N ATOM 791 CA VAL A 55 -0.253 -9.981 2.017 1.00 0.00 C ATOM 792 C VAL A 55 0.785 -10.068 3.130 1.00 0.00 C ATOM 793 O VAL A 55 1.952 -9.730 2.931 1.00 0.00 O ATOM 794 CB VAL A 55 -0.130 -11.225 1.117 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.171 -11.189 0.330 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.225 -12.495 1.949 1.00 0.00 C ATOM 0 H VAL A 55 0.669 -8.770 0.575 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.251 -9.956 2.456 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.956 -11.221 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.240 -12.076 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.193 -10.297 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.014 -11.168 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.136 -13.364 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.579 -12.509 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.186 -12.523 2.462 1.00 0.00 H new ATOM 806 N GLU A 56 0.352 -10.523 4.302 1.00 0.00 N ATOM 807 CA GLU A 56 1.245 -10.654 5.447 1.00 0.00 C ATOM 808 C GLU A 56 2.167 -11.860 5.283 1.00 0.00 C ATOM 809 O GLU A 56 1.833 -12.969 5.697 1.00 0.00 O ATOM 810 CB GLU A 56 0.437 -10.788 6.739 1.00 0.00 C ATOM 811 CG GLU A 56 1.295 -10.819 7.993 1.00 0.00 C ATOM 812 CD GLU A 56 0.538 -10.373 9.229 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.566 -10.903 9.473 1.00 0.00 O ATOM 814 OE2 GLU A 56 1.050 -9.492 9.952 1.00 0.00 O ATOM 0 H GLU A 56 -0.611 -10.807 4.483 1.00 0.00 H new ATOM 0 HA GLU A 56 1.858 -9.754 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.263 -9.955 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.157 -11.701 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.671 -11.831 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.163 -10.175 7.851 1.00 0.00 H new ATOM 821 N GLU A 57 3.327 -11.632 4.676 1.00 0.00 N ATOM 822 CA GLU A 57 4.296 -12.699 4.456 1.00 0.00 C ATOM 823 C GLU A 57 4.804 -13.255 5.784 1.00 0.00 C ATOM 824 O GLU A 57 5.518 -14.256 5.817 1.00 0.00 O ATOM 825 CB GLU A 57 5.472 -12.187 3.622 1.00 0.00 C ATOM 826 CG GLU A 57 6.395 -11.249 4.382 1.00 0.00 C ATOM 827 CD GLU A 57 7.200 -11.962 5.451 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.777 -13.028 5.148 1.00 0.00 O ATOM 829 OE2 GLU A 57 7.254 -11.454 6.591 1.00 0.00 O ATOM 0 H GLU A 57 3.619 -10.719 4.328 1.00 0.00 H new ATOM 0 HA GLU A 57 3.797 -13.501 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.049 -13.039 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.086 -11.670 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.076 -10.768 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.803 -10.459 4.844 1.00 0.00 H new ATOM 836 N ASN A 58 4.429 -12.597 6.876 1.00 0.00 N ATOM 837 CA ASN A 58 4.847 -13.024 8.206 1.00 0.00 C ATOM 838 C ASN A 58 4.114 -14.296 8.624 1.00 0.00 C ATOM 839 O ASN A 58 4.712 -15.214 9.188 1.00 0.00 O ATOM 840 CB ASN A 58 4.587 -11.914 9.226 1.00 0.00 C ATOM 841 CG ASN A 58 5.657 -10.840 9.198 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.848 -11.138 9.097 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.238 -9.584 9.287 1.00 0.00 N ATOM 0 H ASN A 58 3.837 -11.767 6.866 1.00 0.00 H new ATOM 0 HA ASN A 58 5.916 -13.235 8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.616 -11.461 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.537 -12.347 10.225 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.913 -8.819 9.273 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.241 -9.383 9.369 1.00 0.00 H new ATOM 850 N THR A 59 2.816 -14.344 8.344 1.00 0.00 N ATOM 851 CA THR A 59 2.001 -15.501 8.691 1.00 0.00 C ATOM 852 C THR A 59 1.384 -16.132 7.448 1.00 0.00 C ATOM 853 O THR A 59 0.611 -17.085 7.542 1.00 0.00 O ATOM 854 CB THR A 59 0.876 -15.123 9.673 1.00 0.00 C ATOM 855 OG1 THR A 59 0.287 -16.306 10.223 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.193 -14.294 8.977 1.00 0.00 C ATOM 0 H THR A 59 2.306 -13.594 7.877 1.00 0.00 H new ATOM 0 HA THR A 59 2.664 -16.221 9.170 1.00 0.00 H new ATOM 0 HB THR A 59 1.310 -14.527 10.476 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.188 -16.980 9.519 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.977 -14.039 9.690 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.253 -13.380 8.586 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.622 -14.869 8.156 1.00 0.00 H new ATOM 864 N VAL A 60 1.732 -15.595 6.283 1.00 0.00 N ATOM 865 CA VAL A 60 1.214 -16.106 5.020 1.00 0.00 C ATOM 866 C VAL A 60 2.318 -16.760 4.197 1.00 0.00 C ATOM 867 O VAL A 60 3.407 -16.205 4.046 1.00 0.00 O ATOM 868 CB VAL A 60 0.561 -14.988 4.186 1.00 0.00 C ATOM 869 CG1 VAL A 60 0.016 -15.544 2.879 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.539 -14.303 4.983 1.00 0.00 C ATOM 0 H VAL A 60 2.371 -14.806 6.188 1.00 0.00 H new ATOM 0 HA VAL A 60 0.459 -16.852 5.268 1.00 0.00 H new ATOM 0 HB VAL A 60 1.322 -14.245 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.441 -14.739 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.830 -15.984 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.732 -16.308 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.990 -13.516 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.301 -15.034 5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.115 -13.868 5.888 1.00 0.00 H new ATOM 880 N LYS A 61 2.031 -17.943 3.665 1.00 0.00 N ATOM 881 CA LYS A 61 2.999 -18.673 2.854 1.00 0.00 C ATOM 882 C LYS A 61 2.525 -18.782 1.408 1.00 0.00 C ATOM 883 O LYS A 61 3.311 -18.618 0.474 1.00 0.00 O ATOM 884 CB LYS A 61 3.228 -20.071 3.433 1.00 0.00 C ATOM 885 CG LYS A 61 4.060 -20.074 4.705 1.00 0.00 C ATOM 886 CD LYS A 61 5.548 -20.064 4.398 1.00 0.00 C ATOM 887 CE LYS A 61 6.349 -20.732 5.505 1.00 0.00 C ATOM 888 NZ LYS A 61 6.485 -22.198 5.284 1.00 0.00 N ATOM 0 H LYS A 61 1.135 -18.417 3.781 1.00 0.00 H new ATOM 0 HA LYS A 61 3.939 -18.121 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.262 -20.532 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.723 -20.689 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.806 -19.203 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.816 -20.955 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.730 -20.579 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.888 -19.036 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.339 -20.280 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.863 -20.553 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.037 -22.616 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.541 -22.634 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.972 -22.369 4.381 1.00 0.00 H new ATOM 902 N ASP A 62 1.238 -19.058 1.231 1.00 0.00 N ATOM 903 CA ASP A 62 0.660 -19.185 -0.102 1.00 0.00 C ATOM 904 C ASP A 62 -0.627 -18.374 -0.216 1.00 0.00 C ATOM 905 O ASP A 62 -1.260 -18.049 0.790 1.00 0.00 O ATOM 906 CB ASP A 62 0.382 -20.655 -0.421 1.00 0.00 C ATOM 907 CG ASP A 62 -0.997 -21.095 0.031 1.00 0.00 C ATOM 908 OD1 ASP A 62 -1.145 -21.457 1.217 1.00 0.00 O ATOM 909 OD2 ASP A 62 -1.928 -21.075 -0.801 1.00 0.00 O ATOM 0 H ASP A 62 0.575 -19.198 1.993 1.00 0.00 H new ATOM 0 HA ASP A 62 1.379 -18.794 -0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.477 -20.815 -1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.135 -21.277 0.062 1.00 0.00 H new ATOM 914 N LEU A 63 -1.009 -18.050 -1.446 1.00 0.00 N ATOM 915 CA LEU A 63 -2.220 -17.276 -1.692 1.00 0.00 C ATOM 916 C LEU A 63 -3.428 -18.193 -1.859 1.00 0.00 C ATOM 917 O LEU A 63 -3.339 -19.278 -2.433 1.00 0.00 O ATOM 918 CB LEU A 63 -2.049 -16.407 -2.939 1.00 0.00 C ATOM 919 CG LEU A 63 -1.102 -15.214 -2.801 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.801 -14.611 -4.165 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.695 -14.166 -1.872 1.00 0.00 C ATOM 0 H LEU A 63 -0.497 -18.311 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.392 -16.633 -0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.689 -17.039 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.030 -16.035 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.166 -15.566 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.126 -13.763 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.332 -15.363 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.729 -14.274 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.007 -13.325 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.646 -13.818 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.858 -14.603 -0.887 1.00 0.00 H new ATOM 933 N PRO A 64 -4.585 -17.746 -1.349 1.00 0.00 N ATOM 934 CA PRO A 64 -5.834 -18.510 -1.432 1.00 0.00 C ATOM 935 C PRO A 64 -6.376 -18.582 -2.855 1.00 0.00 C ATOM 936 O PRO A 64 -7.284 -19.361 -3.145 1.00 0.00 O ATOM 937 CB PRO A 64 -6.791 -17.722 -0.534 1.00 0.00 C ATOM 938 CG PRO A 64 -6.258 -16.331 -0.539 1.00 0.00 C ATOM 939 CD PRO A 64 -4.764 -16.461 -0.652 1.00 0.00 C ATOM 0 HA PRO A 64 -5.699 -19.548 -1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.811 -17.756 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.815 -18.133 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.664 -15.760 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.536 -15.803 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.330 -15.635 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.286 -16.465 0.327 1.00 0.00 H new ATOM 947 N PHE A 65 -5.814 -17.764 -3.739 1.00 0.00 N ATOM 948 CA PHE A 65 -6.242 -17.735 -5.133 1.00 0.00 C ATOM 949 C PHE A 65 -5.061 -17.462 -6.059 1.00 0.00 C ATOM 950 O PHE A 65 -3.937 -17.251 -5.603 1.00 0.00 O ATOM 951 CB PHE A 65 -7.321 -16.669 -5.335 1.00 0.00 C ATOM 952 CG PHE A 65 -6.776 -15.271 -5.404 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.259 -14.658 -4.274 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.781 -14.569 -6.599 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.756 -13.371 -4.335 1.00 0.00 C ATOM 956 CE2 PHE A 65 -6.279 -13.283 -6.666 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.767 -12.683 -5.532 1.00 0.00 C ATOM 0 H PHE A 65 -5.062 -17.113 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.656 -18.712 -5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.866 -16.884 -6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.039 -16.731 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.249 -15.191 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.182 -15.032 -7.488 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.355 -12.905 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.287 -12.748 -7.604 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.376 -11.677 -5.582 1.00 0.00 H new ATOM 967 N GLU A 66 -5.324 -17.468 -7.362 1.00 0.00 N ATOM 968 CA GLU A 66 -4.282 -17.222 -8.352 1.00 0.00 C ATOM 969 C GLU A 66 -4.446 -15.842 -8.983 1.00 0.00 C ATOM 970 O GLU A 66 -5.132 -15.670 -9.991 1.00 0.00 O ATOM 971 CB GLU A 66 -4.316 -18.299 -9.439 1.00 0.00 C ATOM 972 CG GLU A 66 -2.963 -18.562 -10.078 1.00 0.00 C ATOM 973 CD GLU A 66 -3.072 -19.336 -11.377 1.00 0.00 C ATOM 974 OE1 GLU A 66 -3.811 -18.885 -12.277 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.416 -20.393 -11.494 1.00 0.00 O ATOM 0 H GLU A 66 -6.249 -17.640 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.318 -17.258 -7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.691 -19.227 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.022 -17.999 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.464 -17.612 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.337 -19.118 -9.380 1.00 0.00 H new ATOM 982 N PRO A 67 -3.801 -14.835 -8.377 1.00 0.00 N ATOM 983 CA PRO A 67 -3.859 -13.452 -8.861 1.00 0.00 C ATOM 984 C PRO A 67 -3.113 -13.268 -10.178 1.00 0.00 C ATOM 985 O PRO A 67 -2.278 -14.092 -10.551 1.00 0.00 O ATOM 986 CB PRO A 67 -3.179 -12.656 -7.745 1.00 0.00 C ATOM 987 CG PRO A 67 -2.274 -13.635 -7.079 1.00 0.00 C ATOM 988 CD PRO A 67 -2.965 -14.967 -7.172 1.00 0.00 C ATOM 0 HA PRO A 67 -4.881 -13.134 -9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.621 -11.810 -8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.910 -12.252 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.302 -13.665 -7.571 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.097 -13.359 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.250 -15.785 -7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.567 -15.170 -6.286 1.00 0.00 H new ATOM 996 N SER A 68 -3.419 -12.180 -10.879 1.00 0.00 N ATOM 997 CA SER A 68 -2.779 -11.889 -12.157 1.00 0.00 C ATOM 998 C SER A 68 -1.392 -11.289 -11.946 1.00 0.00 C ATOM 999 O SER A 68 -1.126 -10.654 -10.924 1.00 0.00 O ATOM 1000 CB SER A 68 -3.643 -10.930 -12.977 1.00 0.00 C ATOM 1001 OG SER A 68 -3.854 -9.713 -12.283 1.00 0.00 O ATOM 0 H SER A 68 -4.106 -11.486 -10.583 1.00 0.00 H new ATOM 0 HA SER A 68 -2.671 -12.826 -12.703 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.160 -10.728 -13.933 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.603 -11.398 -13.197 1.00 0.00 H new ATOM 0 HG SER A 68 -4.532 -9.183 -12.751 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.512 -11.493 -12.919 1.00 0.00 N ATOM 1008 CA LYS A 69 0.848 -10.972 -12.843 1.00 0.00 C ATOM 1009 C LYS A 69 0.841 -9.457 -12.660 1.00 0.00 C ATOM 1010 O LYS A 69 1.579 -8.918 -11.836 1.00 0.00 O ATOM 1011 CB LYS A 69 1.628 -11.339 -14.107 1.00 0.00 C ATOM 1012 CG LYS A 69 3.065 -10.845 -14.100 1.00 0.00 C ATOM 1013 CD LYS A 69 3.962 -11.728 -14.952 1.00 0.00 C ATOM 1014 CE LYS A 69 3.806 -11.417 -16.433 1.00 0.00 C ATOM 1015 NZ LYS A 69 2.606 -12.080 -17.015 1.00 0.00 N ATOM 0 H LYS A 69 -0.716 -12.016 -13.771 1.00 0.00 H new ATOM 0 HA LYS A 69 1.335 -11.423 -11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.626 -12.423 -14.223 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.114 -10.924 -14.974 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.101 -9.821 -14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.439 -10.825 -13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.001 -11.585 -14.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.720 -12.775 -14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.728 -10.339 -16.572 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.697 -11.744 -16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.790 -12.320 -18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.397 -12.949 -16.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.792 -11.435 -16.959 1.00 0.00 H new ATOM 1029 N LYS A 70 0.000 -8.776 -13.432 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.106 -7.324 -13.353 1.00 0.00 C ATOM 1031 C LYS A 70 -0.249 -6.867 -11.905 1.00 0.00 C ATOM 1032 O LYS A 70 0.332 -5.859 -11.501 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.301 -6.835 -14.174 1.00 0.00 C ATOM 1034 CG LYS A 70 -2.631 -7.400 -13.709 1.00 0.00 C ATOM 1035 CD LYS A 70 -3.751 -7.064 -14.681 1.00 0.00 C ATOM 1036 CE LYS A 70 -4.375 -5.714 -14.366 1.00 0.00 C ATOM 1037 NZ LYS A 70 -5.350 -5.801 -13.243 1.00 0.00 N ATOM 0 H LYS A 70 -0.618 -9.207 -14.120 1.00 0.00 H new ATOM 0 HA LYS A 70 0.809 -6.895 -13.762 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.342 -5.747 -14.127 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.147 -7.104 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.551 -8.482 -13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.872 -7.002 -12.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.361 -7.057 -15.699 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.516 -7.839 -14.638 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.590 -5.002 -14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.877 -5.330 -15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.753 -4.860 -13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.113 -6.461 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.866 -6.143 -12.388 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.025 -7.614 -11.128 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.243 -7.286 -9.723 1.00 0.00 C ATOM 1053 C LEU A 71 0.068 -7.322 -8.945 1.00 0.00 C ATOM 1054 O LEU A 71 0.687 -8.377 -8.800 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.246 -8.260 -9.101 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.503 -8.093 -7.603 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.572 -7.039 -7.360 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -2.910 -9.420 -6.981 1.00 0.00 C ATOM 0 H LEU A 71 -1.514 -8.451 -11.447 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.647 -6.275 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.196 -8.157 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.893 -9.276 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.579 -7.761 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.742 -6.933 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.242 -6.085 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.499 -7.342 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.089 -9.282 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.821 -9.781 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.112 -10.149 -7.124 1.00 0.00 H new ATOM 1070 N PHE A 72 0.486 -6.164 -8.445 1.00 0.00 N ATOM 1071 CA PHE A 72 1.723 -6.063 -7.680 1.00 0.00 C ATOM 1072 C PHE A 72 1.488 -6.423 -6.216 1.00 0.00 C ATOM 1073 O PHE A 72 0.809 -5.699 -5.488 1.00 0.00 O ATOM 1074 CB PHE A 72 2.298 -4.649 -7.784 1.00 0.00 C ATOM 1075 CG PHE A 72 2.635 -4.241 -9.190 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.884 -4.514 -9.724 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.703 -3.584 -9.977 1.00 0.00 C ATOM 1078 CE1 PHE A 72 4.197 -4.139 -11.017 1.00 0.00 C ATOM 1079 CE2 PHE A 72 2.010 -3.207 -11.270 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.258 -3.485 -11.791 1.00 0.00 C ATOM 0 H PHE A 72 -0.014 -5.282 -8.556 1.00 0.00 H new ATOM 0 HA PHE A 72 2.439 -6.770 -8.099 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.579 -3.942 -7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.196 -4.585 -7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.621 -5.026 -9.123 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.725 -3.364 -9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.174 -4.357 -11.422 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.274 -2.695 -11.873 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.500 -3.192 -12.802 1.00 0.00 H new ATOM 1090 N VAL A 73 2.056 -7.547 -5.790 1.00 0.00 N ATOM 1091 CA VAL A 73 1.910 -8.004 -4.414 1.00 0.00 C ATOM 1092 C VAL A 73 3.108 -7.589 -3.567 1.00 0.00 C ATOM 1093 O VAL A 73 4.250 -7.927 -3.880 1.00 0.00 O ATOM 1094 CB VAL A 73 1.751 -9.534 -4.344 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.309 -9.962 -2.952 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.764 -10.016 -5.397 1.00 0.00 C ATOM 0 H VAL A 73 2.622 -8.158 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 73 1.009 -7.535 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 73 2.719 -9.992 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.202 -11.046 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.056 -9.650 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.353 -9.496 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.664 -11.100 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.207 -9.551 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.127 -9.743 -6.388 1.00 0.00 H new ATOM 1106 N VAL A 74 2.840 -6.855 -2.492 1.00 0.00 N ATOM 1107 CA VAL A 74 3.896 -6.395 -1.598 1.00 0.00 C ATOM 1108 C VAL A 74 3.604 -6.789 -0.154 1.00 0.00 C ATOM 1109 O VAL A 74 2.505 -7.240 0.168 1.00 0.00 O ATOM 1110 CB VAL A 74 4.071 -4.867 -1.676 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.812 -4.478 -2.946 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.720 -4.171 -1.603 1.00 0.00 C ATOM 0 H VAL A 74 1.901 -6.566 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 74 4.818 -6.876 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 74 4.667 -4.544 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.926 -3.395 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.796 -4.947 -2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.246 -4.813 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.863 -3.092 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.097 -4.498 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.231 -4.423 -0.662 1.00 0.00 H new ATOM 1122 N LYS A 75 4.596 -6.615 0.712 1.00 0.00 N ATOM 1123 CA LYS A 75 4.448 -6.951 2.124 1.00 0.00 C ATOM 1124 C LYS A 75 3.577 -5.922 2.838 1.00 0.00 C ATOM 1125 O LYS A 75 3.085 -4.978 2.222 1.00 0.00 O ATOM 1126 CB LYS A 75 5.819 -7.030 2.798 1.00 0.00 C ATOM 1127 CG LYS A 75 6.591 -8.294 2.460 1.00 0.00 C ATOM 1128 CD LYS A 75 8.073 -8.139 2.758 1.00 0.00 C ATOM 1129 CE LYS A 75 8.830 -7.603 1.553 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.014 -6.795 1.956 1.00 0.00 N ATOM 0 H LYS A 75 5.512 -6.243 0.461 1.00 0.00 H new ATOM 0 HA LYS A 75 3.961 -7.924 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.410 -6.163 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.687 -6.973 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.190 -9.130 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.454 -8.534 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.207 -7.464 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.489 -9.103 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.154 -8.435 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.162 -6.991 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.596 -6.591 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.696 -5.902 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.578 -7.328 2.648 1.00 0.00 H new ATOM 1144 N GLN A 76 3.393 -6.112 4.141 1.00 0.00 N ATOM 1145 CA GLN A 76 2.582 -5.199 4.938 1.00 0.00 C ATOM 1146 C GLN A 76 3.258 -3.838 5.062 1.00 0.00 C ATOM 1147 O GLN A 76 2.595 -2.801 5.031 1.00 0.00 O ATOM 1148 CB GLN A 76 2.333 -5.787 6.328 1.00 0.00 C ATOM 1149 CG GLN A 76 3.609 -6.096 7.095 1.00 0.00 C ATOM 1150 CD GLN A 76 4.204 -7.439 6.720 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.389 -8.486 6.780 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.384 -7.535 6.381 1.00 0.00 N flip ATOM 0 H GLN A 76 3.794 -6.889 4.666 1.00 0.00 H new ATOM 0 HA GLN A 76 1.626 -5.064 4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.731 -5.087 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.749 -6.702 6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.342 -5.312 6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.398 -6.082 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.975 -6.704 6.349 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.771 -8.446 6.132 1.00 0.00 H new ATOM 1161 N GLU A 77 4.579 -3.849 5.204 1.00 0.00 N ATOM 1162 CA GLU A 77 5.344 -2.614 5.334 1.00 0.00 C ATOM 1163 C GLU A 77 4.904 -1.590 4.291 1.00 0.00 C ATOM 1164 O GLU A 77 4.501 -0.477 4.630 1.00 0.00 O ATOM 1165 CB GLU A 77 6.840 -2.896 5.188 1.00 0.00 C ATOM 1166 CG GLU A 77 7.531 -3.213 6.504 1.00 0.00 C ATOM 1167 CD GLU A 77 8.996 -2.823 6.503 1.00 0.00 C ATOM 1168 OE1 GLU A 77 9.777 -3.457 5.763 1.00 0.00 O ATOM 1169 OE2 GLU A 77 9.362 -1.885 7.242 1.00 0.00 O ATOM 0 H GLU A 77 5.142 -4.699 5.232 1.00 0.00 H new ATOM 0 HA GLU A 77 5.155 -2.202 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.978 -3.733 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.322 -2.030 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.020 -2.691 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.443 -4.280 6.708 1.00 0.00 H new ATOM 1176 N TRP A 78 4.987 -1.974 3.023 1.00 0.00 N ATOM 1177 CA TRP A 78 4.599 -1.090 1.929 1.00 0.00 C ATOM 1178 C TRP A 78 3.412 -0.219 2.329 1.00 0.00 C ATOM 1179 O TRP A 78 3.523 1.005 2.397 1.00 0.00 O ATOM 1180 CB TRP A 78 4.252 -1.907 0.684 1.00 0.00 C ATOM 1181 CG TRP A 78 4.080 -1.069 -0.547 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.038 -0.766 -1.472 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.879 -0.426 -0.985 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.504 0.027 -2.459 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.181 0.249 -2.184 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.577 -0.355 -0.483 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.228 0.985 -2.885 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.632 0.375 -1.179 1.00 0.00 C ATOM 1189 CH2 TRP A 78 0.962 1.036 -2.370 1.00 0.00 C ATOM 0 H TRP A 78 5.319 -2.891 2.726 1.00 0.00 H new ATOM 0 HA TRP A 78 5.444 -0.439 1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.039 -2.641 0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.333 -2.463 0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.064 -1.100 -1.433 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.011 0.391 -3.266 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.313 -0.862 0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.480 1.497 -3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.377 0.437 -0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.201 1.597 -2.892 1.00 0.00 H new ATOM 1200 N PHE A 79 2.277 -0.858 2.591 1.00 0.00 N ATOM 1201 CA PHE A 79 1.069 -0.141 2.983 1.00 0.00 C ATOM 1202 C PHE A 79 1.364 0.847 4.107 1.00 0.00 C ATOM 1203 O PHE A 79 1.077 2.039 3.991 1.00 0.00 O ATOM 1204 CB PHE A 79 -0.013 -1.127 3.427 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.219 -0.463 4.028 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.152 0.169 3.222 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.420 -0.472 5.399 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.262 0.782 3.773 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.528 0.138 5.955 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.451 0.765 5.141 1.00 0.00 C ATOM 0 H PHE A 79 2.168 -1.871 2.539 1.00 0.00 H new ATOM 0 HA PHE A 79 0.710 0.416 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.326 -1.722 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.413 -1.817 4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.011 0.183 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.702 -0.962 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.981 1.274 3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.672 0.125 7.025 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.319 1.241 5.573 1.00 0.00 H new ATOM 1220 N TRP A 80 1.938 0.344 5.194 1.00 0.00 N ATOM 1221 CA TRP A 80 2.272 1.182 6.340 1.00 0.00 C ATOM 1222 C TRP A 80 3.137 2.364 5.917 1.00 0.00 C ATOM 1223 O TRP A 80 2.709 3.515 5.987 1.00 0.00 O ATOM 1224 CB TRP A 80 2.997 0.359 7.406 1.00 0.00 C ATOM 1225 CG TRP A 80 2.136 -0.698 8.028 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.398 -2.036 8.092 1.00 0.00 C ATOM 1227 CD2 TRP A 80 0.873 -0.503 8.674 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.374 -2.686 8.738 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.426 -1.768 9.105 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.076 0.616 8.930 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.781 -1.942 9.777 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -1.122 0.441 9.597 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.541 -0.829 10.015 1.00 0.00 C ATOM 0 H TRP A 80 2.182 -0.640 5.306 1.00 0.00 H new ATOM 0 HA TRP A 80 1.343 1.568 6.759 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.872 -0.112 6.958 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.360 1.028 8.187 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.281 -2.514 7.693 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.327 -3.689 8.915 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.390 1.599 8.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.106 -2.920 10.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.746 1.299 9.800 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.482 -0.932 10.535 1.00 0.00 H new ATOM 1244 N GLY A 81 4.357 2.071 5.476 1.00 0.00 N ATOM 1245 CA GLY A 81 5.262 3.121 5.047 1.00 0.00 C ATOM 1246 C GLY A 81 4.576 4.164 4.188 1.00 0.00 C ATOM 1247 O GLY A 81 4.422 5.314 4.598 1.00 0.00 O ATOM 0 H GLY A 81 4.734 1.126 5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.694 3.604 5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.086 2.679 4.487 1.00 0.00 H new ATOM 1251 N SER A 82 4.163 3.762 2.990 1.00 0.00 N ATOM 1252 CA SER A 82 3.494 4.672 2.067 1.00 0.00 C ATOM 1253 C SER A 82 2.597 5.648 2.822 1.00 0.00 C ATOM 1254 O SER A 82 2.552 6.838 2.506 1.00 0.00 O ATOM 1255 CB SER A 82 2.666 3.883 1.050 1.00 0.00 C ATOM 1256 OG SER A 82 3.496 3.303 0.059 1.00 0.00 O ATOM 0 H SER A 82 4.280 2.813 2.636 1.00 0.00 H new ATOM 0 HA SER A 82 4.258 5.242 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.104 3.102 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.938 4.543 0.579 1.00 0.00 H new ATOM 0 HG SER A 82 3.811 2.428 0.367 1.00 0.00 H new ATOM 1262 N ILE A 83 1.884 5.137 3.819 1.00 0.00 N ATOM 1263 CA ILE A 83 0.989 5.963 4.620 1.00 0.00 C ATOM 1264 C ILE A 83 1.773 6.940 5.489 1.00 0.00 C ATOM 1265 O ILE A 83 1.446 8.124 5.558 1.00 0.00 O ATOM 1266 CB ILE A 83 0.085 5.102 5.522 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.858 4.249 4.671 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.707 5.985 6.476 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.522 3.130 5.442 1.00 0.00 C ATOM 0 H ILE A 83 1.908 4.154 4.092 1.00 0.00 H new ATOM 0 HA ILE A 83 0.366 6.521 3.922 1.00 0.00 H new ATOM 0 HB ILE A 83 0.715 4.436 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.628 4.891 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.298 3.823 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.341 5.362 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.019 6.553 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.329 6.673 5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.176 2.567 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.759 2.466 5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.110 3.550 6.258 1.00 0.00 H new ATOM 1281 N GLN A 84 2.809 6.435 6.151 1.00 0.00 N ATOM 1282 CA GLN A 84 3.641 7.264 7.015 1.00 0.00 C ATOM 1283 C GLN A 84 4.262 8.415 6.231 1.00 0.00 C ATOM 1284 O GLN A 84 4.195 9.571 6.649 1.00 0.00 O ATOM 1285 CB GLN A 84 4.740 6.420 7.662 1.00 0.00 C ATOM 1286 CG GLN A 84 5.286 7.016 8.950 1.00 0.00 C ATOM 1287 CD GLN A 84 6.515 6.287 9.456 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.332 5.806 8.670 1.00 0.00 O ATOM 1289 NE2 GLN A 84 6.653 6.202 10.774 1.00 0.00 N ATOM 0 H GLN A 84 3.092 5.456 6.106 1.00 0.00 H new ATOM 0 HA GLN A 84 3.006 7.682 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.347 5.425 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.558 6.298 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.533 8.065 8.784 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.511 6.988 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.951 6.615 11.388 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.461 5.723 11.172 1.00 0.00 H new ATOM 1298 N MET A 85 4.866 8.092 5.093 1.00 0.00 N ATOM 1299 CA MET A 85 5.499 9.100 4.250 1.00 0.00 C ATOM 1300 C MET A 85 4.506 9.663 3.238 1.00 0.00 C ATOM 1301 O MET A 85 4.835 10.565 2.468 1.00 0.00 O ATOM 1302 CB MET A 85 6.705 8.504 3.522 1.00 0.00 C ATOM 1303 CG MET A 85 6.339 7.400 2.543 1.00 0.00 C ATOM 1304 SD MET A 85 7.784 6.535 1.899 1.00 0.00 S ATOM 1305 CE MET A 85 7.139 4.872 1.737 1.00 0.00 C ATOM 0 H MET A 85 4.931 7.140 4.733 1.00 0.00 H new ATOM 0 HA MET A 85 5.838 9.913 4.892 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.223 9.298 2.984 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.404 8.108 4.258 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.683 6.684 3.038 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.777 7.828 1.713 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.932 4.205 1.399 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.765 4.531 2.702 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.326 4.866 1.011 1.00 0.00 H new ATOM 1315 N ASP A 86 3.292 9.124 3.244 1.00 0.00 N ATOM 1316 CA ASP A 86 2.251 9.574 2.327 1.00 0.00 C ATOM 1317 C ASP A 86 2.743 9.530 0.884 1.00 0.00 C ATOM 1318 O ASP A 86 2.365 10.366 0.063 1.00 0.00 O ATOM 1319 CB ASP A 86 1.804 10.992 2.684 1.00 0.00 C ATOM 1320 CG ASP A 86 0.817 11.016 3.834 1.00 0.00 C ATOM 1321 OD1 ASP A 86 -0.186 10.274 3.771 1.00 0.00 O ATOM 1322 OD2 ASP A 86 1.048 11.775 4.798 1.00 0.00 O ATOM 0 H ASP A 86 3.004 8.375 3.874 1.00 0.00 H new ATOM 0 HA ASP A 86 1.400 8.899 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.677 11.590 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.350 11.458 1.809 1.00 0.00 H new ATOM 1327 N ALA A 87 3.590 8.551 0.582 1.00 0.00 N ATOM 1328 CA ALA A 87 4.133 8.399 -0.762 1.00 0.00 C ATOM 1329 C ALA A 87 4.177 6.931 -1.173 1.00 0.00 C ATOM 1330 O ALA A 87 4.701 6.088 -0.444 1.00 0.00 O ATOM 1331 CB ALA A 87 5.522 9.014 -0.843 1.00 0.00 C ATOM 0 H ALA A 87 3.915 7.852 1.250 1.00 0.00 H new ATOM 0 HA ALA A 87 3.475 8.924 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.915 8.893 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.465 10.075 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.183 8.515 -0.134 1.00 0.00 H new ATOM 1337 N ARG A 88 3.624 6.631 -2.344 1.00 0.00 N ATOM 1338 CA ARG A 88 3.599 5.264 -2.850 1.00 0.00 C ATOM 1339 C ARG A 88 5.015 4.735 -3.056 1.00 0.00 C ATOM 1340 O ARG A 88 5.642 4.993 -4.083 1.00 0.00 O ATOM 1341 CB ARG A 88 2.822 5.200 -4.166 1.00 0.00 C ATOM 1342 CG ARG A 88 2.527 3.782 -4.630 1.00 0.00 C ATOM 1343 CD ARG A 88 2.097 3.752 -6.088 1.00 0.00 C ATOM 1344 NE ARG A 88 3.237 3.618 -6.992 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.179 3.882 -8.292 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.043 4.292 -8.838 1.00 0.00 N ATOM 1347 NH2 ARG A 88 4.259 3.736 -9.049 1.00 0.00 N ATOM 0 H ARG A 88 3.187 7.317 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 88 3.100 4.638 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.881 5.738 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.391 5.716 -4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.414 3.163 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.742 3.350 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.409 2.921 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.552 4.666 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 88 4.126 3.304 -6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.211 4.405 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.001 4.494 -9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.135 3.421 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.213 3.939 -10.048 1.00 0.00 H new ATOM 1361 N ALA A 89 5.514 3.994 -2.072 1.00 0.00 N ATOM 1362 CA ALA A 89 6.855 3.428 -2.145 1.00 0.00 C ATOM 1363 C ALA A 89 6.945 2.371 -3.241 1.00 0.00 C ATOM 1364 O ALA A 89 5.928 1.916 -3.763 1.00 0.00 O ATOM 1365 CB ALA A 89 7.251 2.833 -0.802 1.00 0.00 C ATOM 0 H ALA A 89 5.009 3.772 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 89 7.549 4.231 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.255 2.414 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.235 3.612 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.547 2.046 -0.531 1.00 0.00 H new ATOM 1371 N GLY A 90 8.169 1.986 -3.587 1.00 0.00 N ATOM 1372 CA GLY A 90 8.369 0.986 -4.619 1.00 0.00 C ATOM 1373 C GLY A 90 7.964 -0.403 -4.168 1.00 0.00 C ATOM 1374 O GLY A 90 8.105 -0.746 -2.995 1.00 0.00 O ATOM 0 H GLY A 90 9.026 2.349 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.792 1.260 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.418 0.977 -4.913 1.00 0.00 H new ATOM 1378 N GLU A 91 7.459 -1.203 -5.101 1.00 0.00 N ATOM 1379 CA GLU A 91 7.030 -2.562 -4.791 1.00 0.00 C ATOM 1380 C GLU A 91 8.225 -3.508 -4.728 1.00 0.00 C ATOM 1381 O GLU A 91 8.333 -4.331 -3.818 1.00 0.00 O ATOM 1382 CB GLU A 91 6.029 -3.056 -5.838 1.00 0.00 C ATOM 1383 CG GLU A 91 4.935 -2.050 -6.157 1.00 0.00 C ATOM 1384 CD GLU A 91 3.747 -2.164 -5.221 1.00 0.00 C ATOM 1385 OE1 GLU A 91 3.009 -3.166 -5.317 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.557 -1.249 -4.392 1.00 0.00 O ATOM 0 H GLU A 91 7.337 -0.934 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 91 6.546 -2.549 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.566 -3.299 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.570 -3.979 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.345 -1.042 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.599 -2.197 -7.184 1.00 0.00 H new ATOM 1393 N THR A 92 9.121 -3.386 -5.702 1.00 0.00 N ATOM 1394 CA THR A 92 10.308 -4.231 -5.760 1.00 0.00 C ATOM 1395 C THR A 92 11.030 -4.256 -4.418 1.00 0.00 C ATOM 1396 O THR A 92 11.842 -5.143 -4.155 1.00 0.00 O ATOM 1397 CB THR A 92 11.287 -3.751 -6.848 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.630 -3.726 -8.120 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.505 -4.660 -6.918 1.00 0.00 C ATOM 0 H THR A 92 9.047 -2.710 -6.462 1.00 0.00 H new ATOM 0 HA THR A 92 9.968 -5.237 -6.006 1.00 0.00 H new ATOM 0 HB THR A 92 11.619 -2.745 -6.591 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.258 -3.418 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.182 -4.302 -7.693 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.019 -4.655 -5.957 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.188 -5.676 -7.154 1.00 0.00 H new ATOM 1407 N MET A 93 10.730 -3.276 -3.571 1.00 0.00 N ATOM 1408 CA MET A 93 11.351 -3.188 -2.254 1.00 0.00 C ATOM 1409 C MET A 93 10.594 -4.037 -1.238 1.00 0.00 C ATOM 1410 O MET A 93 11.183 -4.567 -0.296 1.00 0.00 O ATOM 1411 CB MET A 93 11.398 -1.732 -1.786 1.00 0.00 C ATOM 1412 CG MET A 93 12.665 -1.001 -2.199 1.00 0.00 C ATOM 1413 SD MET A 93 12.511 -0.202 -3.808 1.00 0.00 S ATOM 1414 CE MET A 93 12.058 1.460 -3.319 1.00 0.00 C ATOM 0 H MET A 93 10.061 -2.533 -3.773 1.00 0.00 H new ATOM 0 HA MET A 93 12.369 -3.570 -2.333 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.535 -1.202 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.311 -1.705 -0.700 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.909 -0.251 -1.447 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.495 -1.707 -2.226 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.927 2.078 -4.207 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.125 1.432 -2.755 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.846 1.883 -2.696 1.00 0.00 H new ATOM 1424 N TYR A 94 9.286 -4.162 -1.436 1.00 0.00 N ATOM 1425 CA TYR A 94 8.449 -4.945 -0.535 1.00 0.00 C ATOM 1426 C TYR A 94 7.742 -6.069 -1.287 1.00 0.00 C ATOM 1427 O TYR A 94 6.724 -6.592 -0.832 1.00 0.00 O ATOM 1428 CB TYR A 94 7.417 -4.045 0.147 1.00 0.00 C ATOM 1429 CG TYR A 94 8.022 -2.841 0.832 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.297 -1.678 0.122 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.321 -2.866 2.189 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.851 -0.576 0.744 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.873 -1.768 2.819 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.137 -0.625 2.092 1.00 0.00 C ATOM 1435 OH TYR A 94 9.688 0.470 2.716 1.00 0.00 O ATOM 0 H TYR A 94 8.783 -3.731 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 94 9.093 -5.389 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.696 -3.705 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.865 -4.631 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.074 -1.635 -0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.118 -3.760 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.059 0.320 0.177 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.097 -1.804 3.875 1.00 0.00 H new ATOM 0 HH TYR A 94 9.826 0.270 3.665 1.00 0.00 H new ATOM 1445 N LEU A 95 8.290 -6.436 -2.440 1.00 0.00 N ATOM 1446 CA LEU A 95 7.714 -7.499 -3.257 1.00 0.00 C ATOM 1447 C LEU A 95 7.750 -8.833 -2.518 1.00 0.00 C ATOM 1448 O LEU A 95 8.820 -9.336 -2.175 1.00 0.00 O ATOM 1449 CB LEU A 95 8.469 -7.616 -4.582 1.00 0.00 C ATOM 1450 CG LEU A 95 7.937 -6.766 -5.736 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.666 -7.102 -7.027 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.438 -6.968 -5.899 1.00 0.00 C ATOM 0 H LEU A 95 9.132 -6.014 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 95 6.674 -7.245 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.511 -7.346 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.458 -8.661 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 95 8.119 -5.717 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.274 -6.487 -7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.731 -6.905 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.517 -8.155 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.076 -6.356 -6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.233 -8.018 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.929 -6.676 -4.980 1.00 0.00 H new ATOM 1464 N TYR A 96 6.573 -9.401 -2.278 1.00 0.00 N ATOM 1465 CA TYR A 96 6.469 -10.677 -1.580 1.00 0.00 C ATOM 1466 C TYR A 96 7.152 -11.788 -2.371 1.00 0.00 C ATOM 1467 O TYR A 96 6.536 -12.426 -3.224 1.00 0.00 O ATOM 1468 CB TYR A 96 5.001 -11.034 -1.342 1.00 0.00 C ATOM 1469 CG TYR A 96 4.804 -12.383 -0.689 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.668 -12.830 0.303 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.754 -13.212 -1.065 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.492 -14.062 0.902 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.570 -14.445 -0.470 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.441 -14.866 0.512 1.00 0.00 C ATOM 1475 OH TYR A 96 4.262 -16.094 1.106 1.00 0.00 O ATOM 0 H TYR A 96 5.678 -8.998 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 96 6.973 -10.578 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.546 -10.267 -0.716 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.473 -11.021 -2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.492 -12.203 0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.070 -12.887 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.173 -14.394 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.748 -15.076 -0.773 1.00 0.00 H new ATOM 0 HH TYR A 96 3.799 -16.694 0.484 1.00 0.00 H new ATOM 1485 N GLU A 97 8.430 -12.014 -2.080 1.00 0.00 N ATOM 1486 CA GLU A 97 9.198 -13.047 -2.765 1.00 0.00 C ATOM 1487 C GLU A 97 9.475 -14.224 -1.834 1.00 0.00 C ATOM 1488 O GLU A 97 10.512 -14.881 -1.937 1.00 0.00 O ATOM 1489 CB GLU A 97 10.516 -12.473 -3.286 1.00 0.00 C ATOM 1490 CG GLU A 97 10.338 -11.449 -4.394 1.00 0.00 C ATOM 1491 CD GLU A 97 9.998 -12.085 -5.728 1.00 0.00 C ATOM 1492 OE1 GLU A 97 10.885 -12.737 -6.317 1.00 0.00 O ATOM 1493 OE2 GLU A 97 8.846 -11.929 -6.183 1.00 0.00 O ATOM 0 H GLU A 97 8.954 -11.496 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 97 8.608 -13.404 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.054 -12.010 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.138 -13.289 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.547 -10.752 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.254 -10.867 -4.496 1.00 0.00 H new ATOM 1500 N LYS A 98 8.542 -14.485 -0.924 1.00 0.00 N ATOM 1501 CA LYS A 98 8.684 -15.582 0.025 1.00 0.00 C ATOM 1502 C LYS A 98 7.470 -16.505 -0.024 1.00 0.00 C ATOM 1503 O LYS A 98 7.059 -17.060 0.994 1.00 0.00 O ATOM 1504 CB LYS A 98 8.866 -15.036 1.443 1.00 0.00 C ATOM 1505 CG LYS A 98 10.315 -14.772 1.813 1.00 0.00 C ATOM 1506 CD LYS A 98 10.994 -16.025 2.340 1.00 0.00 C ATOM 1507 CE LYS A 98 10.559 -16.337 3.764 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.024 -17.681 4.204 1.00 0.00 N ATOM 0 H LYS A 98 7.679 -13.951 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 98 9.567 -16.158 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.300 -14.110 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.442 -15.746 2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.854 -14.406 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.361 -13.987 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.756 -16.869 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.076 -15.895 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.953 -15.577 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.472 -16.289 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.707 -17.856 5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.627 -18.409 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.063 -17.719 4.165 1.00 0.00 H new ATOM 1522 N ALA A 99 6.903 -16.665 -1.215 1.00 0.00 N ATOM 1523 CA ALA A 99 5.739 -17.523 -1.397 1.00 0.00 C ATOM 1524 C ALA A 99 6.100 -18.778 -2.184 1.00 0.00 C ATOM 1525 O ALA A 99 6.577 -18.697 -3.315 1.00 0.00 O ATOM 1526 CB ALA A 99 4.625 -16.760 -2.099 1.00 0.00 C ATOM 0 H ALA A 99 7.231 -16.212 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 99 5.388 -17.831 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.762 -17.413 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.340 -15.897 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.974 -16.423 -3.075 1.00 0.00 H new ATOM 1532 N ASN A 100 5.869 -19.938 -1.577 1.00 0.00 N ATOM 1533 CA ASN A 100 6.172 -21.211 -2.222 1.00 0.00 C ATOM 1534 C ASN A 100 4.894 -21.995 -2.504 1.00 0.00 C ATOM 1535 O ASN A 100 3.818 -21.650 -2.013 1.00 0.00 O ATOM 1536 CB ASN A 100 7.109 -22.041 -1.343 1.00 0.00 C ATOM 1537 CG ASN A 100 8.553 -21.588 -1.448 1.00 0.00 C ATOM 1538 OD1 ASN A 100 8.917 -20.520 -0.957 1.00 0.00 O ATOM 1539 ND2 ASN A 100 9.382 -22.402 -2.091 1.00 0.00 N ATOM 0 H ASN A 100 5.474 -20.023 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 100 6.666 -21.001 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.784 -21.973 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.038 -23.090 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.365 -22.151 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.035 -23.278 -2.482 1.00 0.00 H new ATOM 1546 N THR A 101 5.019 -23.053 -3.299 1.00 0.00 N ATOM 1547 CA THR A 101 3.875 -23.887 -3.647 1.00 0.00 C ATOM 1548 C THR A 101 3.613 -24.937 -2.575 1.00 0.00 C ATOM 1549 O THR A 101 4.534 -25.479 -1.963 1.00 0.00 O ATOM 1550 CB THR A 101 4.086 -24.592 -5.000 1.00 0.00 C ATOM 1551 OG1 THR A 101 5.419 -25.108 -5.081 1.00 0.00 O ATOM 1552 CG2 THR A 101 3.836 -23.634 -6.155 1.00 0.00 C ATOM 0 H THR A 101 5.901 -23.353 -3.714 1.00 0.00 H new ATOM 0 HA THR A 101 3.012 -23.225 -3.721 1.00 0.00 H new ATOM 0 HB THR A 101 3.374 -25.414 -5.071 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.544 -25.556 -5.943 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.991 -24.155 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.811 -23.266 -6.107 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.526 -22.793 -6.086 1.00 0.00 H new ATOM 1560 N PRO A 102 2.326 -25.235 -2.339 1.00 0.00 N ATOM 1561 CA PRO A 102 1.913 -26.225 -1.339 1.00 0.00 C ATOM 1562 C PRO A 102 2.269 -27.649 -1.752 1.00 0.00 C ATOM 1563 O PRO A 102 2.482 -28.515 -0.905 1.00 0.00 O ATOM 1564 CB PRO A 102 0.394 -26.050 -1.274 1.00 0.00 C ATOM 1565 CG PRO A 102 0.020 -25.490 -2.603 1.00 0.00 C ATOM 1566 CD PRO A 102 1.176 -24.629 -3.029 1.00 0.00 C ATOM 0 HA PRO A 102 2.414 -26.073 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.106 -27.001 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.107 -25.377 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.161 -26.286 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.898 -24.906 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.306 -24.638 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.033 -23.589 -2.734 1.00 0.00 H new ATOM 1574 N GLU A 103 2.331 -27.883 -3.059 1.00 0.00 N ATOM 1575 CA GLU A 103 2.661 -29.203 -3.584 1.00 0.00 C ATOM 1576 C GLU A 103 4.128 -29.538 -3.331 1.00 0.00 C ATOM 1577 O GLU A 103 5.012 -29.094 -4.065 1.00 0.00 O ATOM 1578 CB GLU A 103 2.361 -29.271 -5.082 1.00 0.00 C ATOM 1579 CG GLU A 103 2.361 -30.684 -5.640 1.00 0.00 C ATOM 1580 CD GLU A 103 1.208 -31.518 -5.115 1.00 0.00 C ATOM 1581 OE1 GLU A 103 1.257 -31.920 -3.934 1.00 0.00 O ATOM 1582 OE2 GLU A 103 0.257 -31.767 -5.885 1.00 0.00 O ATOM 0 H GLU A 103 2.157 -27.176 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 103 2.044 -29.937 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.389 -28.815 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.101 -28.677 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.308 -30.641 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.302 -31.171 -5.386 1.00 0.00 H new ATOM 1589 N SER A 104 4.380 -30.323 -2.289 1.00 0.00 N ATOM 1590 CA SER A 104 5.739 -30.714 -1.936 1.00 0.00 C ATOM 1591 C SER A 104 6.589 -30.913 -3.188 1.00 0.00 C ATOM 1592 O SER A 104 6.230 -31.681 -4.080 1.00 0.00 O ATOM 1593 CB SER A 104 5.724 -31.999 -1.107 1.00 0.00 C ATOM 1594 OG SER A 104 5.167 -33.075 -1.842 1.00 0.00 O ATOM 0 H SER A 104 3.660 -30.701 -1.674 1.00 0.00 H new ATOM 0 HA SER A 104 6.179 -29.913 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.740 -32.250 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.148 -31.840 -0.196 1.00 0.00 H new ATOM 0 HG SER A 104 5.259 -32.898 -2.801 1.00 0.00 H new ATOM 1600 N GLY A 105 7.719 -30.214 -3.246 1.00 0.00 N ATOM 1601 CA GLY A 105 8.603 -30.327 -4.392 1.00 0.00 C ATOM 1602 C GLY A 105 9.902 -31.032 -4.054 1.00 0.00 C ATOM 1603 O GLY A 105 10.305 -31.114 -2.894 1.00 0.00 O ATOM 0 H GLY A 105 8.038 -29.572 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.094 -30.871 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.823 -29.331 -4.777 1.00 0.00 H new ATOM 1607 N PRO A 106 10.579 -31.559 -5.086 1.00 0.00 N ATOM 1608 CA PRO A 106 11.849 -32.271 -4.917 1.00 0.00 C ATOM 1609 C PRO A 106 12.988 -31.338 -4.519 1.00 0.00 C ATOM 1610 O PRO A 106 14.122 -31.776 -4.327 1.00 0.00 O ATOM 1611 CB PRO A 106 12.107 -32.868 -6.303 1.00 0.00 C ATOM 1612 CG PRO A 106 11.371 -31.977 -7.243 1.00 0.00 C ATOM 1613 CD PRO A 106 10.157 -31.499 -6.495 1.00 0.00 C ATOM 0 HA PRO A 106 11.798 -33.013 -4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.172 -32.891 -6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.745 -33.894 -6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.994 -31.138 -7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 106 11.086 -32.514 -8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 106 9.877 -30.487 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 106 9.293 -32.136 -6.683 1.00 0.00 H new ATOM 1621 N SER A 107 12.678 -30.052 -4.395 1.00 0.00 N ATOM 1622 CA SER A 107 13.676 -29.057 -4.023 1.00 0.00 C ATOM 1623 C SER A 107 14.795 -28.996 -5.058 1.00 0.00 C ATOM 1624 O SER A 107 15.976 -28.988 -4.713 1.00 0.00 O ATOM 1625 CB SER A 107 14.259 -29.379 -2.645 1.00 0.00 C ATOM 1626 OG SER A 107 13.510 -28.756 -1.616 1.00 0.00 O ATOM 0 H SER A 107 11.743 -29.674 -4.547 1.00 0.00 H new ATOM 0 HA SER A 107 13.186 -28.084 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.265 -30.458 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.295 -29.045 -2.598 1.00 0.00 H new ATOM 0 HG SER A 107 13.902 -28.979 -0.746 1.00 0.00 H new ATOM 1632 N SER A 108 14.413 -28.952 -6.331 1.00 0.00 N ATOM 1633 CA SER A 108 15.382 -28.894 -7.418 1.00 0.00 C ATOM 1634 C SER A 108 14.845 -28.067 -8.582 1.00 0.00 C ATOM 1635 O SER A 108 13.793 -28.372 -9.142 1.00 0.00 O ATOM 1636 CB SER A 108 15.726 -30.306 -7.898 1.00 0.00 C ATOM 1637 OG SER A 108 14.560 -31.104 -8.012 1.00 0.00 O ATOM 0 H SER A 108 13.439 -28.955 -6.634 1.00 0.00 H new ATOM 0 HA SER A 108 16.285 -28.415 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.230 -30.253 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 108 16.422 -30.771 -7.200 1.00 0.00 H new ATOM 0 HG SER A 108 14.806 -32.001 -8.322 1.00 0.00 H new ATOM 1643 N GLY A 109 15.577 -27.016 -8.940 1.00 0.00 N ATOM 1644 CA GLY A 109 15.159 -26.159 -10.034 1.00 0.00 C ATOM 1645 C GLY A 109 16.251 -25.964 -11.067 1.00 0.00 C ATOM 1646 O GLY A 109 16.071 -25.231 -12.040 1.00 0.00 O ATOM 0 H GLY A 109 16.452 -26.743 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.281 -26.591 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 109 14.860 -25.188 -9.638 1.00 0.00 H new TER 1650 GLY A 109