USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 528 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 50 CYS SG : rot -50:sc= -0.196 USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.23! C(o=-2.2!,f=-11!) USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.1!) USER MOD Single : A 51 MET CE :methyl 142:sc= -0.0219 (180deg=-2.15!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -109:sc= -0.772 (180deg=-1.61) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -81:sc= 1.04 USER MOD Single : A 68 GLN : amide:sc=-0.00559 K(o=-0.0056,f=-0.78) USER MOD Single : A 69 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.22) USER MOD Single : A 71 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.016) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.083) USER MOD Single : A 77 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 30 N ARG A 20 -12.505 -6.277 -0.086 1.00 0.00 N ATOM 31 CA ARG A 20 -11.429 -7.031 0.539 1.00 0.00 C ATOM 32 C ARG A 20 -11.025 -8.235 -0.327 1.00 0.00 C ATOM 33 O ARG A 20 -11.886 -8.949 -0.840 1.00 0.00 O ATOM 34 CB ARG A 20 -11.853 -7.523 1.917 1.00 0.00 C ATOM 35 CG ARG A 20 -12.590 -6.396 2.639 1.00 0.00 C ATOM 36 CD ARG A 20 -11.701 -5.144 2.688 1.00 0.00 C ATOM 37 NE ARG A 20 -12.179 -4.232 3.719 1.00 0.00 N ATOM 38 CZ ARG A 20 -11.691 -3.002 3.826 1.00 0.00 C ATOM 39 NH1 ARG A 20 -10.769 -2.590 2.999 1.00 0.00 N ATOM 40 NH2 ARG A 20 -12.132 -2.203 4.760 1.00 0.00 N ATOM 0 HA ARG A 20 -10.573 -6.364 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.498 -8.396 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.980 -7.832 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.524 -6.171 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.851 -6.708 3.650 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.669 -5.429 2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.707 -4.645 1.719 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.900 -4.544 4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.423 -3.213 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.395 -1.645 3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.852 -2.524 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.757 -1.258 4.842 1.00 0.00 H new ATOM 54 N PRO A 21 -9.746 -8.487 -0.489 1.00 0.00 N ATOM 55 CA PRO A 21 -9.256 -9.645 -1.296 1.00 0.00 C ATOM 56 C PRO A 21 -9.998 -10.944 -0.966 1.00 0.00 C ATOM 57 O PRO A 21 -10.344 -11.720 -1.858 1.00 0.00 O ATOM 58 CB PRO A 21 -7.774 -9.754 -0.891 1.00 0.00 C ATOM 59 CG PRO A 21 -7.369 -8.378 -0.463 1.00 0.00 C ATOM 60 CD PRO A 21 -8.631 -7.695 0.060 1.00 0.00 C ATOM 0 HA PRO A 21 -9.413 -9.494 -2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.641 -10.471 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.164 -10.100 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.603 -8.423 0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.945 -7.821 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.652 -7.685 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.684 -6.657 -0.269 1.00 0.00 H new ATOM 68 N GLU A 22 -10.233 -11.177 0.320 1.00 0.00 N ATOM 69 CA GLU A 22 -10.928 -12.385 0.752 1.00 0.00 C ATOM 70 C GLU A 22 -12.398 -12.327 0.346 1.00 0.00 C ATOM 71 O GLU A 22 -13.076 -13.351 0.282 1.00 0.00 O ATOM 72 CB GLU A 22 -10.819 -12.538 2.271 1.00 0.00 C ATOM 73 CG GLU A 22 -11.431 -13.876 2.700 1.00 0.00 C ATOM 74 CD GLU A 22 -11.262 -14.073 4.200 1.00 0.00 C ATOM 75 OE1 GLU A 22 -10.930 -13.109 4.869 1.00 0.00 O ATOM 76 OE2 GLU A 22 -11.468 -15.185 4.656 1.00 0.00 O ATOM 0 H GLU A 22 -9.956 -10.552 1.077 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.462 -13.244 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.774 -12.490 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.334 -11.716 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.489 -13.901 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.951 -14.693 2.162 1.00 0.00 H new ATOM 83 N GLU A 23 -12.886 -11.122 0.068 1.00 0.00 N ATOM 84 CA GLU A 23 -14.280 -10.944 -0.334 1.00 0.00 C ATOM 85 C GLU A 23 -14.432 -11.103 -1.844 1.00 0.00 C ATOM 86 O GLU A 23 -15.409 -11.681 -2.321 1.00 0.00 O ATOM 87 CB GLU A 23 -14.766 -9.557 0.090 1.00 0.00 C ATOM 88 CG GLU A 23 -16.256 -9.415 -0.233 1.00 0.00 C ATOM 89 CD GLU A 23 -16.758 -8.048 0.214 1.00 0.00 C ATOM 90 OE1 GLU A 23 -16.071 -7.414 0.997 1.00 0.00 O ATOM 91 OE2 GLU A 23 -17.822 -7.657 -0.235 1.00 0.00 O ATOM 0 H GLU A 23 -12.343 -10.260 0.113 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.882 -11.708 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.599 -9.413 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.196 -8.786 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.418 -9.539 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.822 -10.201 0.268 1.00 0.00 H new ATOM 98 N ILE A 24 -13.464 -10.583 -2.588 1.00 0.00 N ATOM 99 CA ILE A 24 -13.501 -10.667 -4.042 1.00 0.00 C ATOM 100 C ILE A 24 -13.412 -12.119 -4.495 1.00 0.00 C ATOM 101 O ILE A 24 -14.124 -12.540 -5.408 1.00 0.00 O ATOM 102 CB ILE A 24 -12.345 -9.869 -4.648 1.00 0.00 C ATOM 103 CG1 ILE A 24 -12.402 -8.427 -4.138 1.00 0.00 C ATOM 104 CG2 ILE A 24 -12.465 -9.869 -6.174 1.00 0.00 C ATOM 105 CD1 ILE A 24 -11.131 -7.687 -4.559 1.00 0.00 C ATOM 0 H ILE A 24 -12.648 -10.101 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.446 -10.246 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.399 -10.326 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.280 -7.922 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.499 -8.417 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.641 -9.300 -6.604 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.429 -10.894 -6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.411 -9.413 -6.465 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.171 -6.660 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -10.261 -8.188 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.054 -7.685 -5.646 1.00 0.00 H new ATOM 117 N GLU A 25 -12.527 -12.877 -3.860 1.00 0.00 N ATOM 118 CA GLU A 25 -12.350 -14.276 -4.216 1.00 0.00 C ATOM 119 C GLU A 25 -13.698 -14.987 -4.289 1.00 0.00 C ATOM 120 O GLU A 25 -13.919 -15.819 -5.169 1.00 0.00 O ATOM 121 CB GLU A 25 -11.460 -14.972 -3.178 1.00 0.00 C ATOM 122 CG GLU A 25 -11.010 -16.342 -3.701 1.00 0.00 C ATOM 123 CD GLU A 25 -12.177 -17.325 -3.658 1.00 0.00 C ATOM 124 OE1 GLU A 25 -12.999 -17.197 -2.767 1.00 0.00 O ATOM 125 OE2 GLU A 25 -12.231 -18.187 -4.519 1.00 0.00 O ATOM 0 H GLU A 25 -11.927 -12.549 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.873 -14.323 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.589 -14.353 -2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.006 -15.093 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.641 -16.247 -4.722 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.184 -16.718 -3.097 1.00 0.00 H new ATOM 132 N GLU A 26 -14.594 -14.661 -3.363 1.00 0.00 N ATOM 133 CA GLU A 26 -15.906 -15.285 -3.341 1.00 0.00 C ATOM 134 C GLU A 26 -16.685 -14.922 -4.601 1.00 0.00 C ATOM 135 O GLU A 26 -17.357 -15.768 -5.191 1.00 0.00 O ATOM 136 CB GLU A 26 -16.674 -14.813 -2.104 1.00 0.00 C ATOM 137 CG GLU A 26 -17.945 -15.644 -1.943 1.00 0.00 C ATOM 138 CD GLU A 26 -17.589 -17.061 -1.510 1.00 0.00 C ATOM 139 OE1 GLU A 26 -16.425 -17.301 -1.234 1.00 0.00 O ATOM 140 OE2 GLU A 26 -18.487 -17.887 -1.460 1.00 0.00 O ATOM 0 H GLU A 26 -14.435 -13.974 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.784 -16.368 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.049 -14.910 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.927 -13.757 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.600 -15.183 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.494 -15.670 -2.884 1.00 0.00 H new ATOM 147 N LEU A 27 -16.592 -13.661 -5.007 1.00 0.00 N ATOM 148 CA LEU A 27 -17.291 -13.196 -6.200 1.00 0.00 C ATOM 149 C LEU A 27 -16.759 -13.903 -7.439 1.00 0.00 C ATOM 150 O LEU A 27 -17.510 -14.201 -8.367 1.00 0.00 O ATOM 151 CB LEU A 27 -17.123 -11.684 -6.355 1.00 0.00 C ATOM 152 CG LEU A 27 -17.506 -10.988 -5.043 1.00 0.00 C ATOM 153 CD1 LEU A 27 -17.393 -9.471 -5.221 1.00 0.00 C ATOM 154 CD2 LEU A 27 -18.947 -11.363 -4.652 1.00 0.00 C ATOM 0 H LEU A 27 -16.043 -12.945 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 27 -18.350 -13.428 -6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.092 -11.447 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.750 -11.319 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.830 -11.311 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.665 -8.974 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.368 -9.211 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -18.066 -9.147 -6.015 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.212 -10.865 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -19.632 -11.047 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -19.019 -12.443 -4.520 1.00 0.00 H new ATOM 166 N ARG A 28 -15.458 -14.163 -7.447 1.00 0.00 N ATOM 167 CA ARG A 28 -14.832 -14.833 -8.579 1.00 0.00 C ATOM 168 C ARG A 28 -15.477 -16.193 -8.819 1.00 0.00 C ATOM 169 O ARG A 28 -15.725 -16.577 -9.962 1.00 0.00 O ATOM 170 CB ARG A 28 -13.334 -15.017 -8.313 1.00 0.00 C ATOM 171 CG ARG A 28 -12.671 -15.656 -9.537 1.00 0.00 C ATOM 172 CD ARG A 28 -11.161 -15.744 -9.313 1.00 0.00 C ATOM 173 NE ARG A 28 -10.569 -14.412 -9.327 1.00 0.00 N ATOM 174 CZ ARG A 28 -9.334 -14.205 -8.882 1.00 0.00 C ATOM 175 NH1 ARG A 28 -8.632 -15.201 -8.415 1.00 0.00 N ATOM 176 NH2 ARG A 28 -8.824 -13.004 -8.911 1.00 0.00 N ATOM 0 H ARG A 28 -14.820 -13.922 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.971 -14.215 -9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.871 -14.054 -8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.184 -15.646 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.082 -16.651 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.883 -15.065 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.956 -16.231 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.707 -16.360 -10.089 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.112 -13.626 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.031 -16.139 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.684 -15.041 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.373 -12.225 -9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.876 -12.844 -8.570 1.00 0.00 H new ATOM 190 N GLU A 29 -15.741 -16.919 -7.739 1.00 0.00 N ATOM 191 CA GLU A 29 -16.351 -18.237 -7.853 1.00 0.00 C ATOM 192 C GLU A 29 -17.665 -18.145 -8.620 1.00 0.00 C ATOM 193 O GLU A 29 -17.949 -18.982 -9.473 1.00 0.00 O ATOM 194 CB GLU A 29 -16.614 -18.811 -6.458 1.00 0.00 C ATOM 195 CG GLU A 29 -17.045 -20.276 -6.573 1.00 0.00 C ATOM 196 CD GLU A 29 -15.862 -21.132 -7.010 1.00 0.00 C ATOM 197 OE1 GLU A 29 -14.760 -20.607 -7.051 1.00 0.00 O ATOM 198 OE2 GLU A 29 -16.073 -22.297 -7.300 1.00 0.00 O ATOM 0 H GLU A 29 -15.544 -16.621 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 29 -15.668 -18.893 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.714 -18.734 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.390 -18.232 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.426 -20.628 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -17.858 -20.369 -7.293 1.00 0.00 H new ATOM 205 N ALA A 30 -18.463 -17.129 -8.310 1.00 0.00 N ATOM 206 CA ALA A 30 -19.743 -16.947 -8.983 1.00 0.00 C ATOM 207 C ALA A 30 -19.539 -16.711 -10.474 1.00 0.00 C ATOM 208 O ALA A 30 -20.222 -17.307 -11.305 1.00 0.00 O ATOM 209 CB ALA A 30 -20.491 -15.761 -8.372 1.00 0.00 C ATOM 0 H ALA A 30 -18.249 -16.425 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 30 -20.332 -17.854 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -21.446 -15.632 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -20.666 -15.948 -7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.894 -14.856 -8.487 1.00 0.00 H new ATOM 215 N PHE A 31 -18.596 -15.842 -10.809 1.00 0.00 N ATOM 216 CA PHE A 31 -18.321 -15.534 -12.209 1.00 0.00 C ATOM 217 C PHE A 31 -18.050 -16.813 -12.989 1.00 0.00 C ATOM 218 O PHE A 31 -18.635 -17.038 -14.047 1.00 0.00 O ATOM 219 CB PHE A 31 -17.099 -14.614 -12.296 1.00 0.00 C ATOM 220 CG PHE A 31 -16.933 -14.122 -13.713 1.00 0.00 C ATOM 221 CD1 PHE A 31 -16.273 -14.916 -14.658 1.00 0.00 C ATOM 222 CD2 PHE A 31 -17.441 -12.870 -14.081 1.00 0.00 C ATOM 223 CE1 PHE A 31 -16.120 -14.455 -15.972 1.00 0.00 C ATOM 224 CE2 PHE A 31 -17.288 -12.411 -15.392 1.00 0.00 C ATOM 225 CZ PHE A 31 -16.629 -13.202 -16.338 1.00 0.00 C ATOM 0 H PHE A 31 -18.012 -15.341 -10.139 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.190 -15.037 -12.640 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -17.219 -13.768 -11.619 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -16.204 -15.151 -11.980 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -15.882 -15.882 -14.375 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -17.951 -12.259 -13.351 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -15.610 -15.065 -16.703 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -17.679 -11.445 -15.675 1.00 0.00 H new ATOM 0 HZ PHE A 31 -16.512 -12.847 -17.351 1.00 0.00 H new ATOM 235 N ARG A 32 -17.171 -17.649 -12.460 1.00 0.00 N ATOM 236 CA ARG A 32 -16.845 -18.909 -13.118 1.00 0.00 C ATOM 237 C ARG A 32 -18.036 -19.859 -13.074 1.00 0.00 C ATOM 238 O ARG A 32 -18.307 -20.577 -14.036 1.00 0.00 O ATOM 239 CB ARG A 32 -15.640 -19.563 -12.437 1.00 0.00 C ATOM 240 CG ARG A 32 -14.379 -18.754 -12.740 1.00 0.00 C ATOM 241 CD ARG A 32 -13.178 -19.400 -12.048 1.00 0.00 C ATOM 242 NE ARG A 32 -11.977 -18.600 -12.268 1.00 0.00 N ATOM 243 CZ ARG A 32 -11.239 -18.745 -13.363 1.00 0.00 C ATOM 244 NH1 ARG A 32 -11.583 -19.618 -14.270 1.00 0.00 N ATOM 245 NH2 ARG A 32 -10.172 -18.013 -13.531 1.00 0.00 N ATOM 0 H ARG A 32 -16.673 -17.483 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.600 -18.699 -14.159 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.801 -19.614 -11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.521 -20.587 -12.791 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.212 -18.711 -13.816 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.502 -17.727 -12.395 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.371 -19.492 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.027 -20.409 -12.433 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.698 -17.915 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.418 -20.189 -14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.017 -19.730 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.905 -17.330 -12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.605 -18.124 -14.371 1.00 0.00 H new ATOM 259 N GLU A 33 -18.741 -19.861 -11.948 1.00 0.00 N ATOM 260 CA GLU A 33 -19.899 -20.733 -11.783 1.00 0.00 C ATOM 261 C GLU A 33 -20.802 -20.644 -13.008 1.00 0.00 C ATOM 262 O GLU A 33 -21.681 -21.480 -13.209 1.00 0.00 O ATOM 263 CB GLU A 33 -20.684 -20.329 -10.527 1.00 0.00 C ATOM 264 CG GLU A 33 -21.626 -21.465 -10.115 1.00 0.00 C ATOM 265 CD GLU A 33 -20.815 -22.626 -9.549 1.00 0.00 C ATOM 266 OE1 GLU A 33 -19.622 -22.452 -9.359 1.00 0.00 O ATOM 267 OE2 GLU A 33 -21.398 -23.672 -9.313 1.00 0.00 O ATOM 0 H GLU A 33 -18.533 -19.273 -11.141 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.553 -21.761 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.995 -20.103 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.257 -19.422 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -22.337 -21.108 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.206 -21.799 -10.975 1.00 0.00 H new ATOM 274 N PHE A 34 -20.578 -19.624 -13.833 1.00 0.00 N ATOM 275 CA PHE A 34 -21.372 -19.431 -15.041 1.00 0.00 C ATOM 276 C PHE A 34 -20.539 -19.725 -16.277 1.00 0.00 C ATOM 277 O PHE A 34 -20.912 -20.562 -17.097 1.00 0.00 O ATOM 278 CB PHE A 34 -21.891 -17.989 -15.091 1.00 0.00 C ATOM 279 CG PHE A 34 -22.287 -17.536 -13.705 1.00 0.00 C ATOM 280 CD1 PHE A 34 -23.027 -18.383 -12.866 1.00 0.00 C ATOM 281 CD2 PHE A 34 -21.906 -16.266 -13.254 1.00 0.00 C ATOM 282 CE1 PHE A 34 -23.379 -17.960 -11.584 1.00 0.00 C ATOM 283 CE2 PHE A 34 -22.264 -15.843 -11.972 1.00 0.00 C ATOM 284 CZ PHE A 34 -22.999 -16.692 -11.135 1.00 0.00 C ATOM 0 H PHE A 34 -19.854 -18.920 -13.686 1.00 0.00 H new ATOM 0 HA PHE A 34 -22.217 -20.119 -15.021 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -21.121 -17.330 -15.492 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -22.747 -17.925 -15.762 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -23.324 -19.362 -13.212 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -21.335 -15.613 -13.898 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -23.946 -18.613 -10.937 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -21.974 -14.862 -11.626 1.00 0.00 H new ATOM 0 HZ PHE A 34 -23.272 -16.367 -10.142 1.00 0.00 H new ATOM 294 N ASP A 35 -19.405 -19.040 -16.404 1.00 0.00 N ATOM 295 CA ASP A 35 -18.528 -19.239 -17.553 1.00 0.00 C ATOM 296 C ASP A 35 -19.333 -19.426 -18.842 1.00 0.00 C ATOM 297 O ASP A 35 -20.122 -18.562 -19.219 1.00 0.00 O ATOM 298 CB ASP A 35 -17.647 -20.456 -17.305 1.00 0.00 C ATOM 299 CG ASP A 35 -16.695 -20.678 -18.479 1.00 0.00 C ATOM 300 OD1 ASP A 35 -16.813 -19.962 -19.461 1.00 0.00 O ATOM 301 OD2 ASP A 35 -15.869 -21.566 -18.383 1.00 0.00 O ATOM 0 H ASP A 35 -19.075 -18.348 -15.731 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.908 -18.351 -17.676 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -17.075 -20.317 -16.387 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.269 -21.339 -17.162 1.00 0.00 H new ATOM 306 N LYS A 36 -19.121 -20.555 -19.514 1.00 0.00 N ATOM 307 CA LYS A 36 -19.814 -20.840 -20.752 1.00 0.00 C ATOM 308 C LYS A 36 -19.444 -19.815 -21.820 1.00 0.00 C ATOM 309 O LYS A 36 -20.318 -19.259 -22.483 1.00 0.00 O ATOM 310 CB LYS A 36 -21.324 -20.835 -20.518 1.00 0.00 C ATOM 311 CG LYS A 36 -22.022 -21.592 -21.648 1.00 0.00 C ATOM 312 CD LYS A 36 -23.515 -21.691 -21.347 1.00 0.00 C ATOM 313 CE LYS A 36 -24.214 -22.418 -22.493 1.00 0.00 C ATOM 314 NZ LYS A 36 -25.669 -22.525 -22.196 1.00 0.00 N ATOM 0 H LYS A 36 -18.473 -21.284 -19.215 1.00 0.00 H new ATOM 0 HA LYS A 36 -19.512 -21.827 -21.102 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -21.555 -21.299 -19.559 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -21.691 -19.810 -20.473 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -21.865 -21.078 -22.596 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -21.594 -22.589 -21.751 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -23.674 -22.226 -20.411 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -23.939 -20.695 -21.221 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -24.061 -21.878 -23.428 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -23.784 -23.411 -22.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.147 -23.020 -22.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -25.805 -23.057 -21.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -26.073 -21.572 -22.092 1.00 0.00 H new ATOM 328 N ASP A 37 -18.146 -19.564 -21.973 1.00 0.00 N ATOM 329 CA ASP A 37 -17.681 -18.592 -22.961 1.00 0.00 C ATOM 330 C ASP A 37 -16.156 -18.572 -23.024 1.00 0.00 C ATOM 331 O ASP A 37 -15.555 -19.047 -23.992 1.00 0.00 O ATOM 332 CB ASP A 37 -18.211 -17.178 -22.608 1.00 0.00 C ATOM 333 CG ASP A 37 -18.608 -17.124 -21.143 1.00 0.00 C ATOM 334 OD1 ASP A 37 -17.733 -17.259 -20.301 1.00 0.00 O ATOM 335 OD2 ASP A 37 -19.787 -16.955 -20.885 1.00 0.00 O ATOM 0 H ASP A 37 -17.406 -20.013 -21.434 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.065 -18.887 -23.938 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.444 -16.431 -22.813 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.069 -16.935 -23.235 1.00 0.00 H new ATOM 340 N LYS A 38 -15.545 -18.010 -21.985 1.00 0.00 N ATOM 341 CA LYS A 38 -14.084 -17.907 -21.917 1.00 0.00 C ATOM 342 C LYS A 38 -13.574 -18.073 -20.502 1.00 0.00 C ATOM 343 O LYS A 38 -12.406 -17.814 -20.216 1.00 0.00 O ATOM 344 CB LYS A 38 -13.621 -16.568 -22.489 1.00 0.00 C ATOM 345 CG LYS A 38 -13.916 -16.516 -23.995 1.00 0.00 C ATOM 346 CD LYS A 38 -13.388 -15.200 -24.568 1.00 0.00 C ATOM 347 CE LYS A 38 -13.657 -15.151 -26.073 1.00 0.00 C ATOM 348 NZ LYS A 38 -13.133 -13.872 -26.631 1.00 0.00 N ATOM 0 H LYS A 38 -16.034 -17.619 -21.179 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.669 -18.718 -22.516 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.131 -15.749 -21.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.553 -16.437 -22.313 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.445 -17.360 -24.499 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.989 -16.598 -24.170 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.871 -14.357 -24.074 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.319 -15.111 -24.376 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.180 -15.998 -26.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.727 -15.232 -26.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.316 -13.839 -27.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.608 -13.071 -26.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.109 -13.813 -26.460 1.00 0.00 H new ATOM 362 N ASP A 39 -14.449 -18.515 -19.629 1.00 0.00 N ATOM 363 CA ASP A 39 -14.085 -18.734 -18.230 1.00 0.00 C ATOM 364 C ASP A 39 -13.545 -17.453 -17.628 1.00 0.00 C ATOM 365 O ASP A 39 -13.194 -17.405 -16.450 1.00 0.00 O ATOM 366 CB ASP A 39 -13.028 -19.839 -18.125 1.00 0.00 C ATOM 367 CG ASP A 39 -13.384 -21.011 -19.043 1.00 0.00 C ATOM 368 OD1 ASP A 39 -14.243 -20.842 -19.894 1.00 0.00 O ATOM 369 OD2 ASP A 39 -12.789 -22.064 -18.878 1.00 0.00 O ATOM 0 H ASP A 39 -15.420 -18.733 -19.853 1.00 0.00 H new ATOM 0 HA ASP A 39 -14.976 -19.041 -17.681 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.050 -19.442 -18.396 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.957 -20.186 -17.094 1.00 0.00 H new ATOM 374 N GLY A 40 -13.490 -16.411 -18.444 1.00 0.00 N ATOM 375 CA GLY A 40 -12.997 -15.114 -17.989 1.00 0.00 C ATOM 376 C GLY A 40 -13.885 -13.985 -18.483 1.00 0.00 C ATOM 377 O GLY A 40 -13.892 -12.900 -17.905 1.00 0.00 O ATOM 0 H GLY A 40 -13.779 -16.435 -19.422 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.957 -15.099 -16.900 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.979 -14.963 -18.347 1.00 0.00 H new ATOM 381 N TYR A 41 -14.631 -14.238 -19.561 1.00 0.00 N ATOM 382 CA TYR A 41 -15.514 -13.220 -20.125 1.00 0.00 C ATOM 383 C TYR A 41 -16.889 -13.796 -20.417 1.00 0.00 C ATOM 384 O TYR A 41 -17.015 -14.773 -21.152 1.00 0.00 O ATOM 385 CB TYR A 41 -14.916 -12.697 -21.427 1.00 0.00 C ATOM 386 CG TYR A 41 -13.557 -12.098 -21.155 1.00 0.00 C ATOM 387 CD1 TYR A 41 -12.438 -12.932 -21.043 1.00 0.00 C ATOM 388 CD2 TYR A 41 -13.413 -10.712 -21.021 1.00 0.00 C ATOM 389 CE1 TYR A 41 -11.176 -12.382 -20.793 1.00 0.00 C ATOM 390 CE2 TYR A 41 -12.149 -10.162 -20.772 1.00 0.00 C ATOM 391 CZ TYR A 41 -11.032 -10.997 -20.657 1.00 0.00 C ATOM 392 OH TYR A 41 -9.788 -10.455 -20.410 1.00 0.00 O ATOM 0 H TYR A 41 -14.640 -15.130 -20.055 1.00 0.00 H new ATOM 0 HA TYR A 41 -15.615 -12.413 -19.399 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.829 -13.508 -22.151 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -15.574 -11.947 -21.866 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -12.549 -14.001 -21.150 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.275 -10.068 -21.109 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.314 -13.026 -20.705 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.036 -9.093 -20.669 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.863 -9.480 -20.344 1.00 0.00 H new ATOM 402 N ILE A 42 -17.923 -13.177 -19.848 1.00 0.00 N ATOM 403 CA ILE A 42 -19.299 -13.627 -20.054 1.00 0.00 C ATOM 404 C ILE A 42 -20.092 -12.527 -20.729 1.00 0.00 C ATOM 405 O ILE A 42 -19.519 -11.555 -21.197 1.00 0.00 O ATOM 406 CB ILE A 42 -19.947 -13.980 -18.713 1.00 0.00 C ATOM 407 CG1 ILE A 42 -19.796 -12.809 -17.727 1.00 0.00 C ATOM 408 CG2 ILE A 42 -19.286 -15.237 -18.124 1.00 0.00 C ATOM 409 CD1 ILE A 42 -20.167 -13.276 -16.312 1.00 0.00 C ATOM 0 H ILE A 42 -17.834 -12.362 -19.241 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.292 -14.515 -20.686 1.00 0.00 H new ATOM 0 HB ILE A 42 -21.007 -14.174 -18.878 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.771 -12.438 -17.741 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -20.439 -11.982 -18.028 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.753 -15.481 -17.170 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.412 -16.072 -18.814 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.223 -15.051 -17.970 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -20.059 -12.445 -15.615 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.199 -13.626 -16.303 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -19.506 -14.089 -16.012 1.00 0.00 H new ATOM 421 N ASN A 43 -21.408 -12.689 -20.796 1.00 0.00 N ATOM 422 CA ASN A 43 -22.269 -11.694 -21.436 1.00 0.00 C ATOM 423 C ASN A 43 -23.545 -11.499 -20.630 1.00 0.00 C ATOM 424 O ASN A 43 -23.750 -12.152 -19.607 1.00 0.00 O ATOM 425 CB ASN A 43 -22.606 -12.136 -22.861 1.00 0.00 C ATOM 426 CG ASN A 43 -22.956 -13.623 -22.880 1.00 0.00 C ATOM 427 OD1 ASN A 43 -22.847 -14.298 -21.859 1.00 0.00 O ATOM 428 ND2 ASN A 43 -23.372 -14.177 -23.987 1.00 0.00 N ATOM 0 H ASN A 43 -21.904 -13.496 -20.417 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.737 -10.743 -21.476 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -23.444 -11.552 -23.243 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.758 -11.945 -23.519 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -23.606 -15.170 -24.004 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -23.463 -13.617 -24.835 1.00 0.00 H new ATOM 435 N CYS A 44 -24.387 -10.578 -21.088 1.00 0.00 N ATOM 436 CA CYS A 44 -25.632 -10.286 -20.394 1.00 0.00 C ATOM 437 C CYS A 44 -26.392 -11.570 -20.074 1.00 0.00 C ATOM 438 O CYS A 44 -27.344 -11.562 -19.294 1.00 0.00 O ATOM 439 CB CYS A 44 -26.513 -9.368 -21.247 1.00 0.00 C ATOM 440 SG CYS A 44 -27.023 -10.242 -22.744 1.00 0.00 S ATOM 0 H CYS A 44 -24.230 -10.026 -21.931 1.00 0.00 H new ATOM 0 HA CYS A 44 -25.385 -9.783 -19.459 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -27.389 -9.057 -20.679 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -25.966 -8.463 -21.510 1.00 0.00 H new ATOM 0 HG CYS A 44 -27.773 -9.464 -23.467 1.00 0.00 H new ATOM 446 N ARG A 45 -25.976 -12.669 -20.690 1.00 0.00 N ATOM 447 CA ARG A 45 -26.639 -13.949 -20.472 1.00 0.00 C ATOM 448 C ARG A 45 -26.485 -14.416 -19.030 1.00 0.00 C ATOM 449 O ARG A 45 -27.473 -14.662 -18.341 1.00 0.00 O ATOM 450 CB ARG A 45 -26.031 -14.998 -21.407 1.00 0.00 C ATOM 451 CG ARG A 45 -26.302 -14.627 -22.876 1.00 0.00 C ATOM 452 CD ARG A 45 -27.693 -15.114 -23.293 1.00 0.00 C ATOM 453 NE ARG A 45 -27.991 -14.686 -24.654 1.00 0.00 N ATOM 454 CZ ARG A 45 -29.246 -14.529 -25.062 1.00 0.00 C ATOM 455 NH1 ARG A 45 -30.234 -14.763 -24.239 1.00 0.00 N ATOM 456 NH2 ARG A 45 -29.489 -14.144 -26.282 1.00 0.00 N ATOM 0 H ARG A 45 -25.190 -12.701 -21.339 1.00 0.00 H new ATOM 0 HA ARG A 45 -27.701 -13.822 -20.680 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.957 -15.069 -21.235 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -26.454 -15.978 -21.189 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.232 -13.547 -23.005 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -25.544 -15.075 -23.518 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -27.740 -16.201 -23.228 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -28.444 -14.721 -22.608 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.225 -14.504 -25.303 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -30.042 -15.066 -23.284 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -31.197 -14.643 -24.552 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -28.717 -13.963 -26.923 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -30.452 -14.023 -26.596 1.00 0.00 H new ATOM 470 N ASP A 46 -25.243 -14.540 -18.580 1.00 0.00 N ATOM 471 CA ASP A 46 -24.978 -14.985 -17.217 1.00 0.00 C ATOM 472 C ASP A 46 -25.144 -13.841 -16.233 1.00 0.00 C ATOM 473 O ASP A 46 -25.134 -14.046 -15.021 1.00 0.00 O ATOM 474 CB ASP A 46 -23.557 -15.536 -17.129 1.00 0.00 C ATOM 475 CG ASP A 46 -23.437 -16.822 -17.943 1.00 0.00 C ATOM 476 OD1 ASP A 46 -24.456 -17.309 -18.400 1.00 0.00 O ATOM 477 OD2 ASP A 46 -22.324 -17.300 -18.096 1.00 0.00 O ATOM 0 H ASP A 46 -24.409 -14.341 -19.133 1.00 0.00 H new ATOM 0 HA ASP A 46 -25.694 -15.766 -16.961 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.849 -14.795 -17.500 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -23.299 -15.731 -16.088 1.00 0.00 H new ATOM 482 N LEU A 47 -25.303 -12.642 -16.760 1.00 0.00 N ATOM 483 CA LEU A 47 -25.479 -11.472 -15.919 1.00 0.00 C ATOM 484 C LEU A 47 -26.752 -11.592 -15.091 1.00 0.00 C ATOM 485 O LEU A 47 -26.774 -11.224 -13.917 1.00 0.00 O ATOM 486 CB LEU A 47 -25.537 -10.217 -16.786 1.00 0.00 C ATOM 487 CG LEU A 47 -25.754 -8.970 -15.897 1.00 0.00 C ATOM 488 CD1 LEU A 47 -25.244 -7.719 -16.631 1.00 0.00 C ATOM 489 CD2 LEU A 47 -27.259 -8.793 -15.518 1.00 0.00 C ATOM 0 H LEU A 47 -25.314 -12.452 -17.762 1.00 0.00 H new ATOM 0 HA LEU A 47 -24.631 -11.401 -15.238 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -24.612 -10.113 -17.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -26.347 -10.303 -17.511 1.00 0.00 H new ATOM 0 HG LEU A 47 -25.193 -9.108 -14.973 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -25.398 -6.841 -16.003 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -24.181 -7.831 -16.845 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -25.791 -7.597 -17.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -27.375 -7.907 -14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -27.852 -8.677 -16.426 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -27.602 -9.671 -14.970 1.00 0.00 H new ATOM 501 N GLY A 48 -27.812 -12.111 -15.707 1.00 0.00 N ATOM 502 CA GLY A 48 -29.080 -12.277 -15.013 1.00 0.00 C ATOM 503 C GLY A 48 -29.075 -13.536 -14.155 1.00 0.00 C ATOM 504 O GLY A 48 -29.993 -13.755 -13.365 1.00 0.00 O ATOM 0 H GLY A 48 -27.815 -12.421 -16.679 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.271 -11.406 -14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -29.891 -12.331 -15.739 1.00 0.00 H new ATOM 508 N ASN A 49 -28.037 -14.362 -14.306 1.00 0.00 N ATOM 509 CA ASN A 49 -27.931 -15.592 -13.527 1.00 0.00 C ATOM 510 C ASN A 49 -27.077 -15.366 -12.281 1.00 0.00 C ATOM 511 O ASN A 49 -27.174 -16.110 -11.307 1.00 0.00 O ATOM 512 CB ASN A 49 -27.302 -16.686 -14.384 1.00 0.00 C ATOM 513 CG ASN A 49 -27.473 -18.038 -13.706 1.00 0.00 C ATOM 514 OD1 ASN A 49 -27.792 -18.102 -12.519 1.00 0.00 O ATOM 515 ND2 ASN A 49 -27.280 -19.129 -14.393 1.00 0.00 N ATOM 0 H ASN A 49 -27.266 -14.202 -14.955 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.930 -15.896 -13.216 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -27.769 -16.702 -15.369 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -26.243 -16.477 -14.536 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -27.393 -20.039 -13.947 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -27.016 -19.072 -15.377 1.00 0.00 H new ATOM 522 N CYS A 50 -26.241 -14.335 -12.322 1.00 0.00 N ATOM 523 CA CYS A 50 -25.374 -14.019 -11.191 1.00 0.00 C ATOM 524 C CYS A 50 -26.152 -13.352 -10.060 1.00 0.00 C ATOM 525 O CYS A 50 -25.822 -13.527 -8.890 1.00 0.00 O ATOM 526 CB CYS A 50 -24.243 -13.096 -11.651 1.00 0.00 C ATOM 527 SG CYS A 50 -24.912 -11.444 -11.967 1.00 0.00 S ATOM 0 H CYS A 50 -26.145 -13.707 -13.120 1.00 0.00 H new ATOM 0 HA CYS A 50 -24.960 -14.953 -10.812 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.465 -13.047 -10.889 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -23.779 -13.492 -12.554 1.00 0.00 H new ATOM 0 HG CYS A 50 -25.956 -11.538 -12.736 1.00 0.00 H new ATOM 533 N MET A 51 -27.162 -12.569 -10.414 1.00 0.00 N ATOM 534 CA MET A 51 -27.948 -11.860 -9.425 1.00 0.00 C ATOM 535 C MET A 51 -28.430 -12.825 -8.361 1.00 0.00 C ATOM 536 O MET A 51 -28.412 -12.509 -7.173 1.00 0.00 O ATOM 537 CB MET A 51 -29.150 -11.189 -10.100 1.00 0.00 C ATOM 538 CG MET A 51 -29.673 -12.093 -11.228 1.00 0.00 C ATOM 539 SD MET A 51 -31.377 -11.641 -11.635 1.00 0.00 S ATOM 540 CE MET A 51 -32.190 -12.584 -10.319 1.00 0.00 C ATOM 0 H MET A 51 -27.453 -12.412 -11.379 1.00 0.00 H new ATOM 0 HA MET A 51 -27.327 -11.096 -8.958 1.00 0.00 H new ATOM 0 HB2 MET A 51 -29.938 -11.009 -9.369 1.00 0.00 H new ATOM 0 HB3 MET A 51 -28.860 -10.218 -10.502 1.00 0.00 H new ATOM 0 HG2 MET A 51 -29.040 -11.993 -12.110 1.00 0.00 H new ATOM 0 HG3 MET A 51 -29.628 -13.138 -10.920 1.00 0.00 H new ATOM 0 HE1 MET A 51 -33.034 -12.014 -9.931 1.00 0.00 H new ATOM 0 HE2 MET A 51 -32.547 -13.533 -10.719 1.00 0.00 H new ATOM 0 HE3 MET A 51 -31.479 -12.773 -9.515 1.00 0.00 H new ATOM 550 N ARG A 52 -28.874 -13.997 -8.790 1.00 0.00 N ATOM 551 CA ARG A 52 -29.377 -14.978 -7.855 1.00 0.00 C ATOM 552 C ARG A 52 -28.319 -15.328 -6.818 1.00 0.00 C ATOM 553 O ARG A 52 -28.611 -15.429 -5.624 1.00 0.00 O ATOM 554 CB ARG A 52 -29.799 -16.249 -8.600 1.00 0.00 C ATOM 555 CG ARG A 52 -31.079 -15.987 -9.394 1.00 0.00 C ATOM 556 CD ARG A 52 -31.405 -17.210 -10.252 1.00 0.00 C ATOM 557 NE ARG A 52 -31.664 -18.370 -9.406 1.00 0.00 N ATOM 558 CZ ARG A 52 -31.792 -19.585 -9.929 1.00 0.00 C ATOM 559 NH1 ARG A 52 -31.686 -19.758 -11.218 1.00 0.00 N ATOM 560 NH2 ARG A 52 -32.022 -20.609 -9.151 1.00 0.00 N ATOM 0 H ARG A 52 -28.894 -14.285 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 52 -30.241 -14.550 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -29.003 -16.568 -9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -29.961 -17.060 -7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -31.905 -15.776 -8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -30.954 -15.108 -10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -32.276 -17.004 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -30.575 -17.421 -10.926 1.00 0.00 H new ATOM 0 HE ARG A 52 -31.748 -18.247 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -31.504 -18.960 -11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -31.785 -20.691 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -32.103 -20.476 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -32.120 -21.542 -9.552 1.00 0.00 H new ATOM 574 N THR A 53 -27.088 -15.495 -7.279 1.00 0.00 N ATOM 575 CA THR A 53 -25.983 -15.817 -6.389 1.00 0.00 C ATOM 576 C THR A 53 -25.578 -14.597 -5.565 1.00 0.00 C ATOM 577 O THR A 53 -25.309 -14.703 -4.368 1.00 0.00 O ATOM 578 CB THR A 53 -24.788 -16.319 -7.198 1.00 0.00 C ATOM 579 OG1 THR A 53 -25.148 -17.521 -7.866 1.00 0.00 O ATOM 580 CG2 THR A 53 -23.608 -16.585 -6.259 1.00 0.00 C ATOM 0 H THR A 53 -26.830 -15.413 -8.262 1.00 0.00 H new ATOM 0 HA THR A 53 -26.310 -16.602 -5.707 1.00 0.00 H new ATOM 0 HB THR A 53 -24.499 -15.566 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 53 -24.385 -17.846 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 53 -22.756 -16.943 -6.837 1.00 0.00 H new ATOM 0 HG22 THR A 53 -23.336 -15.663 -5.746 1.00 0.00 H new ATOM 0 HG23 THR A 53 -23.890 -17.339 -5.524 1.00 0.00 H new ATOM 588 N MET A 54 -25.526 -13.442 -6.217 1.00 0.00 N ATOM 589 CA MET A 54 -25.143 -12.209 -5.542 1.00 0.00 C ATOM 590 C MET A 54 -26.237 -11.758 -4.584 1.00 0.00 C ATOM 591 O MET A 54 -26.023 -10.869 -3.759 1.00 0.00 O ATOM 592 CB MET A 54 -24.885 -11.110 -6.580 1.00 0.00 C ATOM 593 CG MET A 54 -23.684 -11.490 -7.455 1.00 0.00 C ATOM 594 SD MET A 54 -22.178 -11.580 -6.448 1.00 0.00 S ATOM 595 CE MET A 54 -21.940 -9.802 -6.192 1.00 0.00 C ATOM 0 H MET A 54 -25.743 -13.334 -7.208 1.00 0.00 H new ATOM 0 HA MET A 54 -24.234 -12.395 -4.971 1.00 0.00 H new ATOM 0 HB2 MET A 54 -25.769 -10.970 -7.202 1.00 0.00 H new ATOM 0 HB3 MET A 54 -24.695 -10.161 -6.078 1.00 0.00 H new ATOM 0 HG2 MET A 54 -23.866 -12.451 -7.937 1.00 0.00 H new ATOM 0 HG3 MET A 54 -23.556 -10.754 -8.249 1.00 0.00 H new ATOM 0 HE1 MET A 54 -21.077 -9.464 -6.765 1.00 0.00 H new ATOM 0 HE2 MET A 54 -22.829 -9.265 -6.523 1.00 0.00 H new ATOM 0 HE3 MET A 54 -21.771 -9.606 -5.133 1.00 0.00 H new ATOM 605 N GLY A 55 -27.406 -12.379 -4.692 1.00 0.00 N ATOM 606 CA GLY A 55 -28.524 -12.035 -3.828 1.00 0.00 C ATOM 607 C GLY A 55 -28.676 -10.523 -3.716 1.00 0.00 C ATOM 608 O GLY A 55 -29.121 -10.010 -2.690 1.00 0.00 O ATOM 0 H GLY A 55 -27.602 -13.119 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -29.442 -12.469 -4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -28.370 -12.464 -2.838 1.00 0.00 H new ATOM 612 N TYR A 56 -28.296 -9.811 -4.776 1.00 0.00 N ATOM 613 CA TYR A 56 -28.388 -8.355 -4.772 1.00 0.00 C ATOM 614 C TYR A 56 -29.845 -7.911 -4.782 1.00 0.00 C ATOM 615 O TYR A 56 -30.150 -6.740 -4.559 1.00 0.00 O ATOM 616 CB TYR A 56 -27.659 -7.784 -5.990 1.00 0.00 C ATOM 617 CG TYR A 56 -27.599 -6.279 -5.883 1.00 0.00 C ATOM 618 CD1 TYR A 56 -26.567 -5.669 -5.159 1.00 0.00 C ATOM 619 CD2 TYR A 56 -28.571 -5.494 -6.512 1.00 0.00 C ATOM 620 CE1 TYR A 56 -26.509 -4.274 -5.063 1.00 0.00 C ATOM 621 CE2 TYR A 56 -28.515 -4.098 -6.416 1.00 0.00 C ATOM 622 CZ TYR A 56 -27.483 -3.489 -5.691 1.00 0.00 C ATOM 623 OH TYR A 56 -27.426 -2.113 -5.596 1.00 0.00 O ATOM 0 H TYR A 56 -27.926 -10.214 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 56 -27.918 -7.979 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -26.651 -8.195 -6.049 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -28.176 -8.074 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -25.816 -6.275 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -29.365 -5.965 -7.072 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -25.713 -3.803 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -29.266 -3.492 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 56 -28.176 -1.720 -6.090 1.00 0.00 H new ATOM 633 N MET A 57 -30.742 -8.854 -5.051 1.00 0.00 N ATOM 634 CA MET A 57 -32.166 -8.549 -5.096 1.00 0.00 C ATOM 635 C MET A 57 -32.427 -7.352 -6.006 1.00 0.00 C ATOM 636 O MET A 57 -32.994 -6.347 -5.578 1.00 0.00 O ATOM 637 CB MET A 57 -32.681 -8.247 -3.690 1.00 0.00 C ATOM 638 CG MET A 57 -32.580 -9.507 -2.830 1.00 0.00 C ATOM 639 SD MET A 57 -33.847 -10.693 -3.344 1.00 0.00 S ATOM 640 CE MET A 57 -33.071 -12.172 -2.648 1.00 0.00 C ATOM 0 H MET A 57 -30.510 -9.829 -5.240 1.00 0.00 H new ATOM 0 HA MET A 57 -32.693 -9.416 -5.494 1.00 0.00 H new ATOM 0 HB2 MET A 57 -32.099 -7.441 -3.243 1.00 0.00 H new ATOM 0 HB3 MET A 57 -33.715 -7.906 -3.735 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.589 -9.950 -2.931 1.00 0.00 H new ATOM 0 HG3 MET A 57 -32.710 -9.253 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 57 -33.696 -13.041 -2.852 1.00 0.00 H new ATOM 0 HE2 MET A 57 -32.090 -12.316 -3.101 1.00 0.00 H new ATOM 0 HE3 MET A 57 -32.959 -12.051 -1.571 1.00 0.00 H new ATOM 650 N PRO A 58 -32.023 -7.446 -7.246 1.00 0.00 N ATOM 651 CA PRO A 58 -32.216 -6.352 -8.244 1.00 0.00 C ATOM 652 C PRO A 58 -33.669 -6.231 -8.695 1.00 0.00 C ATOM 653 O PRO A 58 -34.436 -7.189 -8.620 1.00 0.00 O ATOM 654 CB PRO A 58 -31.305 -6.765 -9.409 1.00 0.00 C ATOM 655 CG PRO A 58 -31.235 -8.258 -9.324 1.00 0.00 C ATOM 656 CD PRO A 58 -31.342 -8.611 -7.839 1.00 0.00 C ATOM 0 HA PRO A 58 -31.972 -5.372 -7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -31.714 -6.441 -10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -30.316 -6.316 -9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -32.044 -8.718 -9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -30.300 -8.628 -9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -31.912 -9.527 -7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -30.360 -8.769 -7.394 1.00 0.00 H new ATOM 664 N THR A 59 -34.035 -5.046 -9.165 1.00 0.00 N ATOM 665 CA THR A 59 -35.394 -4.809 -9.625 1.00 0.00 C ATOM 666 C THR A 59 -35.643 -5.559 -10.933 1.00 0.00 C ATOM 667 O THR A 59 -34.792 -6.314 -11.404 1.00 0.00 O ATOM 668 CB THR A 59 -35.630 -3.296 -9.829 1.00 0.00 C ATOM 669 OG1 THR A 59 -34.647 -2.566 -9.113 1.00 0.00 O ATOM 670 CG2 THR A 59 -37.022 -2.903 -9.324 1.00 0.00 C ATOM 0 H THR A 59 -33.414 -4.240 -9.237 1.00 0.00 H new ATOM 0 HA THR A 59 -36.090 -5.175 -8.870 1.00 0.00 H new ATOM 0 HB THR A 59 -35.561 -3.067 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 59 -34.794 -1.606 -9.242 1.00 0.00 H new ATOM 0 HG21 THR A 59 -37.175 -1.834 -9.474 1.00 0.00 H new ATOM 0 HG22 THR A 59 -37.780 -3.459 -9.876 1.00 0.00 H new ATOM 0 HG23 THR A 59 -37.103 -3.136 -8.262 1.00 0.00 H new ATOM 678 N GLU A 60 -36.817 -5.334 -11.513 1.00 0.00 N ATOM 679 CA GLU A 60 -37.179 -5.976 -12.776 1.00 0.00 C ATOM 680 C GLU A 60 -36.684 -5.144 -13.959 1.00 0.00 C ATOM 681 O GLU A 60 -36.101 -5.675 -14.898 1.00 0.00 O ATOM 682 CB GLU A 60 -38.701 -6.160 -12.856 1.00 0.00 C ATOM 683 CG GLU A 60 -39.404 -4.917 -12.303 1.00 0.00 C ATOM 684 CD GLU A 60 -40.907 -5.042 -12.495 1.00 0.00 C ATOM 685 OE1 GLU A 60 -41.311 -5.611 -13.494 1.00 0.00 O ATOM 686 OE2 GLU A 60 -41.633 -4.561 -11.642 1.00 0.00 O ATOM 0 H GLU A 60 -37.533 -4.715 -11.132 1.00 0.00 H new ATOM 0 HA GLU A 60 -36.703 -6.955 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -39.002 -6.330 -13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -39.000 -7.041 -12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -39.173 -4.799 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -39.037 -4.025 -12.811 1.00 0.00 H new ATOM 693 N MET A 61 -36.921 -3.842 -13.901 1.00 0.00 N ATOM 694 CA MET A 61 -36.503 -2.939 -14.967 1.00 0.00 C ATOM 695 C MET A 61 -35.018 -2.649 -14.874 1.00 0.00 C ATOM 696 O MET A 61 -34.418 -2.108 -15.802 1.00 0.00 O ATOM 697 CB MET A 61 -37.312 -1.637 -14.897 1.00 0.00 C ATOM 698 CG MET A 61 -36.927 -0.732 -16.065 1.00 0.00 C ATOM 699 SD MET A 61 -38.083 0.656 -16.176 1.00 0.00 S ATOM 700 CE MET A 61 -37.195 1.775 -15.064 1.00 0.00 C ATOM 0 H MET A 61 -37.401 -3.385 -13.126 1.00 0.00 H new ATOM 0 HA MET A 61 -36.693 -3.420 -15.926 1.00 0.00 H new ATOM 0 HB2 MET A 61 -38.379 -1.858 -14.931 1.00 0.00 H new ATOM 0 HB3 MET A 61 -37.121 -1.129 -13.952 1.00 0.00 H new ATOM 0 HG2 MET A 61 -35.911 -0.361 -15.929 1.00 0.00 H new ATOM 0 HG3 MET A 61 -36.937 -1.300 -16.995 1.00 0.00 H new ATOM 0 HE1 MET A 61 -37.740 2.715 -14.982 1.00 0.00 H new ATOM 0 HE2 MET A 61 -37.111 1.317 -14.078 1.00 0.00 H new ATOM 0 HE3 MET A 61 -36.198 1.967 -15.461 1.00 0.00 H new ATOM 710 N GLU A 62 -34.432 -3.021 -13.753 1.00 0.00 N ATOM 711 CA GLU A 62 -33.012 -2.806 -13.550 1.00 0.00 C ATOM 712 C GLU A 62 -32.187 -3.741 -14.415 1.00 0.00 C ATOM 713 O GLU A 62 -31.185 -3.330 -14.978 1.00 0.00 O ATOM 714 CB GLU A 62 -32.650 -3.019 -12.085 1.00 0.00 C ATOM 715 CG GLU A 62 -31.164 -2.710 -11.871 1.00 0.00 C ATOM 716 CD GLU A 62 -30.821 -2.812 -10.389 1.00 0.00 C ATOM 717 OE1 GLU A 62 -31.655 -3.295 -9.642 1.00 0.00 O ATOM 718 OE2 GLU A 62 -29.732 -2.405 -10.024 1.00 0.00 O ATOM 0 H GLU A 62 -34.912 -3.470 -12.974 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.787 -1.778 -13.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.260 -2.375 -11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -32.863 -4.047 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -30.552 -3.407 -12.444 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -30.935 -1.710 -12.238 1.00 0.00 H new ATOM 725 N LEU A 63 -32.610 -4.998 -14.515 1.00 0.00 N ATOM 726 CA LEU A 63 -31.887 -5.981 -15.314 1.00 0.00 C ATOM 727 C LEU A 63 -32.363 -5.976 -16.756 1.00 0.00 C ATOM 728 O LEU A 63 -31.670 -6.471 -17.642 1.00 0.00 O ATOM 729 CB LEU A 63 -32.098 -7.372 -14.717 1.00 0.00 C ATOM 730 CG LEU A 63 -31.368 -7.476 -13.368 1.00 0.00 C ATOM 731 CD1 LEU A 63 -31.778 -8.777 -12.662 1.00 0.00 C ATOM 732 CD2 LEU A 63 -29.833 -7.458 -13.579 1.00 0.00 C ATOM 0 H LEU A 63 -33.446 -5.358 -14.055 1.00 0.00 H new ATOM 0 HA LEU A 63 -30.829 -5.721 -15.302 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -33.163 -7.561 -14.580 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -31.724 -8.133 -15.403 1.00 0.00 H new ATOM 0 HG LEU A 63 -31.645 -6.621 -12.751 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.260 -8.851 -11.706 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -32.855 -8.775 -12.493 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.510 -9.630 -13.286 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -29.332 -7.532 -12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.542 -8.302 -14.205 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -29.544 -6.527 -14.067 1.00 0.00 H new ATOM 744 N ILE A 64 -33.541 -5.412 -16.993 1.00 0.00 N ATOM 745 CA ILE A 64 -34.079 -5.359 -18.343 1.00 0.00 C ATOM 746 C ILE A 64 -33.457 -4.209 -19.117 1.00 0.00 C ATOM 747 O ILE A 64 -33.245 -4.309 -20.324 1.00 0.00 O ATOM 748 CB ILE A 64 -35.594 -5.189 -18.287 1.00 0.00 C ATOM 749 CG1 ILE A 64 -36.233 -6.471 -17.745 1.00 0.00 C ATOM 750 CG2 ILE A 64 -36.148 -4.885 -19.678 1.00 0.00 C ATOM 751 CD1 ILE A 64 -37.695 -6.202 -17.381 1.00 0.00 C ATOM 0 H ILE A 64 -34.134 -4.991 -16.278 1.00 0.00 H new ATOM 0 HA ILE A 64 -33.839 -6.292 -18.854 1.00 0.00 H new ATOM 0 HB ILE A 64 -35.831 -4.355 -17.627 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.173 -7.263 -18.492 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.687 -6.819 -16.868 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -37.230 -4.767 -19.621 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -35.702 -3.965 -20.054 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -35.908 -5.707 -20.353 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -38.148 -7.115 -16.996 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -37.743 -5.424 -16.619 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -38.237 -5.875 -18.269 1.00 0.00 H new ATOM 763 N GLU A 65 -33.164 -3.119 -18.419 1.00 0.00 N ATOM 764 CA GLU A 65 -32.555 -1.954 -19.059 1.00 0.00 C ATOM 765 C GLU A 65 -31.038 -2.015 -18.944 1.00 0.00 C ATOM 766 O GLU A 65 -30.321 -1.451 -19.770 1.00 0.00 O ATOM 767 CB GLU A 65 -33.061 -0.671 -18.402 1.00 0.00 C ATOM 768 CG GLU A 65 -34.533 -0.465 -18.760 1.00 0.00 C ATOM 769 CD GLU A 65 -35.069 0.781 -18.065 1.00 0.00 C ATOM 770 OE1 GLU A 65 -34.309 1.404 -17.341 1.00 0.00 O ATOM 771 OE2 GLU A 65 -36.231 1.092 -18.263 1.00 0.00 O ATOM 0 H GLU A 65 -33.335 -3.015 -17.419 1.00 0.00 H new ATOM 0 HA GLU A 65 -32.833 -1.957 -20.113 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -32.943 -0.732 -17.320 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -32.470 0.181 -18.739 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -34.643 -0.365 -19.840 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -35.114 -1.337 -18.460 1.00 0.00 H new ATOM 778 N LEU A 66 -30.555 -2.704 -17.918 1.00 0.00 N ATOM 779 CA LEU A 66 -29.114 -2.833 -17.714 1.00 0.00 C ATOM 780 C LEU A 66 -28.527 -3.899 -18.630 1.00 0.00 C ATOM 781 O LEU A 66 -27.433 -3.734 -19.166 1.00 0.00 O ATOM 782 CB LEU A 66 -28.811 -3.185 -16.255 1.00 0.00 C ATOM 783 CG LEU A 66 -27.298 -3.298 -16.030 1.00 0.00 C ATOM 784 CD1 LEU A 66 -26.614 -1.960 -16.366 1.00 0.00 C ATOM 785 CD2 LEU A 66 -27.035 -3.661 -14.565 1.00 0.00 C ATOM 0 H LEU A 66 -31.130 -3.177 -17.221 1.00 0.00 H new ATOM 0 HA LEU A 66 -28.655 -1.874 -17.955 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -29.226 -2.421 -15.597 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -29.294 -4.127 -15.995 1.00 0.00 H new ATOM 0 HG LEU A 66 -26.891 -4.073 -16.679 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -25.540 -2.050 -16.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -26.803 -1.707 -17.409 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -27.014 -1.175 -15.724 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -25.961 -3.743 -14.398 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -27.445 -2.885 -13.919 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -27.512 -4.614 -14.335 1.00 0.00 H new ATOM 797 N SER A 67 -29.248 -5.003 -18.785 1.00 0.00 N ATOM 798 CA SER A 67 -28.769 -6.094 -19.617 1.00 0.00 C ATOM 799 C SER A 67 -28.499 -5.605 -21.027 1.00 0.00 C ATOM 800 O SER A 67 -27.383 -5.717 -21.529 1.00 0.00 O ATOM 801 CB SER A 67 -29.810 -7.210 -19.643 1.00 0.00 C ATOM 802 OG SER A 67 -31.068 -6.663 -20.031 1.00 0.00 O ATOM 0 H SER A 67 -30.156 -5.164 -18.350 1.00 0.00 H new ATOM 0 HA SER A 67 -27.838 -6.476 -19.199 1.00 0.00 H new ATOM 0 HB2 SER A 67 -29.508 -7.991 -20.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 -29.889 -7.674 -18.660 1.00 0.00 H new ATOM 0 HG SER A 67 -31.495 -6.243 -19.256 1.00 0.00 H new ATOM 808 N GLN A 68 -29.513 -5.067 -21.670 1.00 0.00 N ATOM 809 CA GLN A 68 -29.341 -4.570 -23.022 1.00 0.00 C ATOM 810 C GLN A 68 -28.205 -3.566 -23.044 1.00 0.00 C ATOM 811 O GLN A 68 -27.166 -3.820 -23.641 1.00 0.00 O ATOM 812 CB GLN A 68 -30.637 -3.913 -23.498 1.00 0.00 C ATOM 813 CG GLN A 68 -31.716 -4.981 -23.674 1.00 0.00 C ATOM 814 CD GLN A 68 -33.044 -4.327 -24.036 1.00 0.00 C ATOM 815 OE1 GLN A 68 -33.378 -3.263 -23.512 1.00 0.00 O ATOM 816 NE2 GLN A 68 -33.825 -4.899 -24.910 1.00 0.00 N ATOM 0 H GLN A 68 -30.453 -4.962 -21.287 1.00 0.00 H new ATOM 0 HA GLN A 68 -29.102 -5.397 -23.691 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -30.965 -3.166 -22.776 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -30.468 -3.393 -24.441 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.422 -5.682 -24.455 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -31.823 -5.556 -22.754 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -33.547 -5.780 -25.343 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -34.714 -4.466 -25.161 1.00 0.00 H new ATOM 825 N GLN A 69 -28.418 -2.423 -22.391 1.00 0.00 N ATOM 826 CA GLN A 69 -27.393 -1.373 -22.329 1.00 0.00 C ATOM 827 C GLN A 69 -26.016 -2.023 -22.250 1.00 0.00 C ATOM 828 O GLN A 69 -25.084 -1.626 -22.949 1.00 0.00 O ATOM 829 CB GLN A 69 -27.627 -0.483 -21.109 1.00 0.00 C ATOM 830 CG GLN A 69 -28.830 0.428 -21.366 1.00 0.00 C ATOM 831 CD GLN A 69 -29.143 1.237 -20.113 1.00 0.00 C ATOM 832 OE1 GLN A 69 -30.238 1.787 -19.985 1.00 0.00 O ATOM 833 NE2 GLN A 69 -28.243 1.343 -19.175 1.00 0.00 N ATOM 0 H GLN A 69 -29.283 -2.199 -21.900 1.00 0.00 H new ATOM 0 HA GLN A 69 -27.451 -0.754 -23.224 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -27.804 -1.097 -20.226 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -26.739 0.117 -20.907 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -28.619 1.098 -22.199 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -29.696 -0.170 -21.650 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -27.337 0.887 -19.283 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -28.445 1.882 -18.333 1.00 0.00 H new ATOM 842 N ILE A 70 -25.909 -3.053 -21.412 1.00 0.00 N ATOM 843 CA ILE A 70 -24.648 -3.769 -21.276 1.00 0.00 C ATOM 844 C ILE A 70 -24.312 -4.505 -22.572 1.00 0.00 C ATOM 845 O ILE A 70 -23.170 -4.494 -23.026 1.00 0.00 O ATOM 846 CB ILE A 70 -24.726 -4.766 -20.101 1.00 0.00 C ATOM 847 CG1 ILE A 70 -24.525 -4.016 -18.764 1.00 0.00 C ATOM 848 CG2 ILE A 70 -23.660 -5.868 -20.261 1.00 0.00 C ATOM 849 CD1 ILE A 70 -23.037 -3.930 -18.425 1.00 0.00 C ATOM 0 H ILE A 70 -26.668 -3.404 -20.827 1.00 0.00 H new ATOM 0 HA ILE A 70 -23.858 -3.047 -21.072 1.00 0.00 H new ATOM 0 HB ILE A 70 -25.710 -5.236 -20.100 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -24.948 -3.014 -18.834 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -25.058 -4.532 -17.965 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -23.727 -6.564 -19.425 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -23.829 -6.405 -21.194 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -22.669 -5.415 -20.277 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -22.909 -3.400 -17.481 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.626 -4.935 -18.335 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -22.514 -3.394 -19.217 1.00 0.00 H new ATOM 861 N ASN A 71 -25.312 -5.158 -23.142 1.00 0.00 N ATOM 862 CA ASN A 71 -25.113 -5.907 -24.367 1.00 0.00 C ATOM 863 C ASN A 71 -24.858 -4.967 -25.537 1.00 0.00 C ATOM 864 O ASN A 71 -24.205 -5.338 -26.511 1.00 0.00 O ATOM 865 CB ASN A 71 -26.336 -6.772 -24.661 1.00 0.00 C ATOM 866 CG ASN A 71 -26.104 -7.591 -25.927 1.00 0.00 C ATOM 867 OD1 ASN A 71 -26.782 -7.385 -26.933 1.00 0.00 O ATOM 868 ND2 ASN A 71 -25.182 -8.515 -25.935 1.00 0.00 N ATOM 0 H ASN A 71 -26.264 -5.183 -22.777 1.00 0.00 H new ATOM 0 HA ASN A 71 -24.242 -6.549 -24.236 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.533 -7.436 -23.819 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.217 -6.142 -24.782 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.022 -9.069 -26.777 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -24.622 -8.683 -25.100 1.00 0.00 H new ATOM 875 N MET A 72 -25.389 -3.749 -25.439 1.00 0.00 N ATOM 876 CA MET A 72 -25.227 -2.757 -26.497 1.00 0.00 C ATOM 877 C MET A 72 -24.092 -1.791 -26.178 1.00 0.00 C ATOM 878 O MET A 72 -23.062 -1.795 -26.849 1.00 0.00 O ATOM 879 CB MET A 72 -26.529 -1.971 -26.663 1.00 0.00 C ATOM 880 CG MET A 72 -27.661 -2.923 -27.058 1.00 0.00 C ATOM 881 SD MET A 72 -27.317 -3.636 -28.686 1.00 0.00 S ATOM 882 CE MET A 72 -28.929 -4.417 -28.939 1.00 0.00 C ATOM 0 H MET A 72 -25.934 -3.427 -24.639 1.00 0.00 H new ATOM 0 HA MET A 72 -24.984 -3.281 -27.421 1.00 0.00 H new ATOM 0 HB2 MET A 72 -26.778 -1.461 -25.732 1.00 0.00 H new ATOM 0 HB3 MET A 72 -26.406 -1.202 -27.425 1.00 0.00 H new ATOM 0 HG2 MET A 72 -27.758 -3.716 -26.316 1.00 0.00 H new ATOM 0 HG3 MET A 72 -28.610 -2.387 -27.078 1.00 0.00 H new ATOM 0 HE1 MET A 72 -28.940 -4.925 -29.903 1.00 0.00 H new ATOM 0 HE2 MET A 72 -29.111 -5.141 -28.145 1.00 0.00 H new ATOM 0 HE3 MET A 72 -29.709 -3.656 -28.922 1.00 0.00 H new ATOM 892 N ASN A 73 -24.293 -0.962 -25.159 1.00 0.00 N ATOM 893 CA ASN A 73 -23.285 0.013 -24.766 1.00 0.00 C ATOM 894 C ASN A 73 -22.077 -0.687 -24.165 1.00 0.00 C ATOM 895 O ASN A 73 -21.701 -0.431 -23.019 1.00 0.00 O ATOM 896 CB ASN A 73 -23.869 0.995 -23.748 1.00 0.00 C ATOM 897 CG ASN A 73 -25.162 1.597 -24.286 1.00 0.00 C ATOM 898 OD1 ASN A 73 -25.153 2.265 -25.321 1.00 0.00 O ATOM 899 ND2 ASN A 73 -26.281 1.399 -23.644 1.00 0.00 N ATOM 0 H ASN A 73 -25.141 -0.946 -24.593 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.972 0.561 -25.654 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.061 0.483 -22.805 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.149 1.786 -23.539 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -27.150 1.798 -23.999 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -26.286 0.846 -22.787 1.00 0.00 H new ATOM 906 N LEU A 74 -21.469 -1.565 -24.950 1.00 0.00 N ATOM 907 CA LEU A 74 -20.293 -2.292 -24.496 1.00 0.00 C ATOM 908 C LEU A 74 -19.671 -3.086 -25.637 1.00 0.00 C ATOM 909 O LEU A 74 -18.506 -2.889 -25.986 1.00 0.00 O ATOM 910 CB LEU A 74 -20.671 -3.245 -23.340 1.00 0.00 C ATOM 911 CG LEU A 74 -19.469 -3.435 -22.397 1.00 0.00 C ATOM 912 CD1 LEU A 74 -18.262 -3.937 -23.209 1.00 0.00 C ATOM 913 CD2 LEU A 74 -19.120 -2.094 -21.692 1.00 0.00 C ATOM 0 H LEU A 74 -21.768 -1.790 -25.899 1.00 0.00 H new ATOM 0 HA LEU A 74 -19.561 -1.567 -24.140 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.517 -2.839 -22.786 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -20.985 -4.209 -23.741 1.00 0.00 H new ATOM 0 HG LEU A 74 -19.723 -4.169 -21.633 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -17.408 -4.073 -22.545 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -18.511 -4.888 -23.680 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -18.011 -3.206 -23.978 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -18.268 -2.243 -21.028 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -18.869 -1.343 -22.442 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -19.978 -1.754 -21.111 1.00 0.00 H new ATOM 925 N GLY A 75 -20.452 -3.990 -26.211 1.00 0.00 N ATOM 926 CA GLY A 75 -19.970 -4.821 -27.309 1.00 0.00 C ATOM 927 C GLY A 75 -20.603 -6.206 -27.263 1.00 0.00 C ATOM 928 O GLY A 75 -20.604 -6.927 -28.258 1.00 0.00 O ATOM 0 H GLY A 75 -21.418 -4.168 -25.937 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.201 -4.343 -28.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -18.885 -4.911 -27.253 1.00 0.00 H new ATOM 932 N GLY A 76 -21.138 -6.578 -26.101 1.00 0.00 N ATOM 933 CA GLY A 76 -21.771 -7.891 -25.937 1.00 0.00 C ATOM 934 C GLY A 76 -20.885 -8.826 -25.125 1.00 0.00 C ATOM 935 O GLY A 76 -20.860 -10.033 -25.361 1.00 0.00 O ATOM 0 H GLY A 76 -21.147 -5.996 -25.264 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.734 -7.775 -25.441 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.967 -8.329 -26.916 1.00 0.00 H new ATOM 939 N HIS A 77 -20.162 -8.262 -24.165 1.00 0.00 N ATOM 940 CA HIS A 77 -19.281 -9.056 -23.322 1.00 0.00 C ATOM 941 C HIS A 77 -18.959 -8.308 -22.034 1.00 0.00 C ATOM 942 O HIS A 77 -18.836 -7.083 -22.029 1.00 0.00 O ATOM 943 CB HIS A 77 -17.983 -9.366 -24.068 1.00 0.00 C ATOM 944 CG HIS A 77 -17.308 -8.080 -24.455 1.00 0.00 C ATOM 945 ND1 HIS A 77 -16.316 -7.501 -23.678 1.00 0.00 N ATOM 946 CD2 HIS A 77 -17.469 -7.248 -25.535 1.00 0.00 C ATOM 947 CE1 HIS A 77 -15.923 -6.373 -24.295 1.00 0.00 C ATOM 948 NE2 HIS A 77 -16.593 -6.170 -25.433 1.00 0.00 N ATOM 0 H HIS A 77 -20.169 -7.264 -23.953 1.00 0.00 H new ATOM 0 HA HIS A 77 -19.789 -9.988 -23.074 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -17.322 -9.961 -23.438 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -18.195 -9.960 -24.957 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -18.169 -7.406 -26.342 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -15.158 -5.711 -23.917 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -16.486 -5.394 -26.086 1.00 0.00 H new ATOM 956 N VAL A 78 -18.810 -9.052 -20.942 1.00 0.00 N ATOM 957 CA VAL A 78 -18.487 -8.454 -19.644 1.00 0.00 C ATOM 958 C VAL A 78 -17.377 -9.253 -18.965 1.00 0.00 C ATOM 959 O VAL A 78 -17.403 -10.484 -18.952 1.00 0.00 O ATOM 960 CB VAL A 78 -19.733 -8.430 -18.758 1.00 0.00 C ATOM 961 CG1 VAL A 78 -19.449 -7.624 -17.489 1.00 0.00 C ATOM 962 CG2 VAL A 78 -20.882 -7.780 -19.525 1.00 0.00 C ATOM 0 H VAL A 78 -18.907 -10.067 -20.926 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.143 -7.431 -19.798 1.00 0.00 H new ATOM 0 HB VAL A 78 -20.003 -9.450 -18.483 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -20.339 -7.609 -16.860 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.626 -8.084 -16.942 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -19.179 -6.603 -17.759 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.773 -7.760 -18.898 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -20.607 -6.761 -19.797 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -21.087 -8.354 -20.429 1.00 0.00 H new ATOM 972 N ASP A 79 -16.395 -8.541 -18.403 1.00 0.00 N ATOM 973 CA ASP A 79 -15.268 -9.176 -17.717 1.00 0.00 C ATOM 974 C ASP A 79 -15.437 -9.099 -16.213 1.00 0.00 C ATOM 975 O ASP A 79 -16.148 -8.238 -15.695 1.00 0.00 O ATOM 976 CB ASP A 79 -13.967 -8.494 -18.138 1.00 0.00 C ATOM 977 CG ASP A 79 -14.045 -7.003 -17.845 1.00 0.00 C ATOM 978 OD1 ASP A 79 -15.090 -6.563 -17.408 1.00 0.00 O ATOM 979 OD2 ASP A 79 -13.054 -6.325 -18.058 1.00 0.00 O ATOM 0 H ASP A 79 -16.359 -7.522 -18.411 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.234 -10.229 -17.998 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.126 -8.935 -17.603 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.789 -8.656 -19.201 1.00 0.00 H new ATOM 984 N PHE A 80 -14.780 -10.019 -15.514 1.00 0.00 N ATOM 985 CA PHE A 80 -14.870 -10.058 -14.067 1.00 0.00 C ATOM 986 C PHE A 80 -14.678 -8.661 -13.498 1.00 0.00 C ATOM 987 O PHE A 80 -15.065 -8.384 -12.365 1.00 0.00 O ATOM 988 CB PHE A 80 -13.798 -10.996 -13.499 1.00 0.00 C ATOM 989 CG PHE A 80 -13.914 -11.041 -11.989 1.00 0.00 C ATOM 990 CD1 PHE A 80 -15.070 -11.563 -11.396 1.00 0.00 C ATOM 991 CD2 PHE A 80 -12.869 -10.568 -11.183 1.00 0.00 C ATOM 992 CE1 PHE A 80 -15.184 -11.611 -10.002 1.00 0.00 C ATOM 993 CE2 PHE A 80 -12.984 -10.618 -9.787 1.00 0.00 C ATOM 994 CZ PHE A 80 -14.141 -11.141 -9.197 1.00 0.00 C ATOM 0 H PHE A 80 -14.186 -10.739 -15.925 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.856 -10.429 -13.786 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.919 -11.997 -13.914 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -12.806 -10.649 -13.788 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.875 -11.929 -12.016 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.976 -10.165 -11.637 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -16.078 -12.011 -9.547 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -12.179 -10.253 -9.166 1.00 0.00 H new ATOM 0 HZ PHE A 80 -14.228 -11.182 -8.121 1.00 0.00 H new ATOM 1004 N ASP A 81 -14.075 -7.778 -14.291 1.00 0.00 N ATOM 1005 CA ASP A 81 -13.837 -6.412 -13.839 1.00 0.00 C ATOM 1006 C ASP A 81 -15.124 -5.608 -13.927 1.00 0.00 C ATOM 1007 O ASP A 81 -15.562 -5.008 -12.945 1.00 0.00 O ATOM 1008 CB ASP A 81 -12.755 -5.757 -14.705 1.00 0.00 C ATOM 1009 CG ASP A 81 -11.403 -6.412 -14.439 1.00 0.00 C ATOM 1010 OD1 ASP A 81 -11.297 -7.132 -13.461 1.00 0.00 O ATOM 1011 OD2 ASP A 81 -10.493 -6.185 -15.220 1.00 0.00 O ATOM 0 H ASP A 81 -13.747 -7.980 -15.235 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.499 -6.434 -12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.014 -5.854 -15.759 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.700 -4.690 -14.487 1.00 0.00 H new ATOM 1016 N ASP A 82 -15.732 -5.611 -15.108 1.00 0.00 N ATOM 1017 CA ASP A 82 -16.975 -4.887 -15.314 1.00 0.00 C ATOM 1018 C ASP A 82 -18.076 -5.490 -14.457 1.00 0.00 C ATOM 1019 O ASP A 82 -18.881 -4.772 -13.870 1.00 0.00 O ATOM 1020 CB ASP A 82 -17.375 -4.922 -16.789 1.00 0.00 C ATOM 1021 CG ASP A 82 -16.455 -4.025 -17.608 1.00 0.00 C ATOM 1022 OD1 ASP A 82 -15.762 -3.215 -17.015 1.00 0.00 O ATOM 1023 OD2 ASP A 82 -16.456 -4.162 -18.820 1.00 0.00 O ATOM 0 H ASP A 82 -15.385 -6.104 -15.931 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.827 -3.848 -15.020 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.324 -5.945 -17.162 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.408 -4.593 -16.900 1.00 0.00 H new ATOM 1028 N PHE A 83 -18.097 -6.813 -14.381 1.00 0.00 N ATOM 1029 CA PHE A 83 -19.093 -7.501 -13.577 1.00 0.00 C ATOM 1030 C PHE A 83 -18.975 -7.072 -12.116 1.00 0.00 C ATOM 1031 O PHE A 83 -19.967 -6.735 -11.473 1.00 0.00 O ATOM 1032 CB PHE A 83 -18.897 -9.021 -13.702 1.00 0.00 C ATOM 1033 CG PHE A 83 -19.589 -9.732 -12.554 1.00 0.00 C ATOM 1034 CD1 PHE A 83 -20.973 -9.621 -12.398 1.00 0.00 C ATOM 1035 CD2 PHE A 83 -18.838 -10.478 -11.636 1.00 0.00 C ATOM 1036 CE1 PHE A 83 -21.608 -10.261 -11.326 1.00 0.00 C ATOM 1037 CE2 PHE A 83 -19.472 -11.116 -10.567 1.00 0.00 C ATOM 1038 CZ PHE A 83 -20.855 -11.010 -10.412 1.00 0.00 C ATOM 0 H PHE A 83 -17.440 -7.427 -14.863 1.00 0.00 H new ATOM 0 HA PHE A 83 -20.088 -7.239 -13.937 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.300 -9.371 -14.652 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -17.833 -9.260 -13.700 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.552 -9.043 -13.103 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -17.768 -10.560 -11.755 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.678 -10.177 -11.204 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.892 -11.691 -9.861 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.345 -11.506 -9.587 1.00 0.00 H new ATOM 1048 N VAL A 84 -17.754 -7.088 -11.605 1.00 0.00 N ATOM 1049 CA VAL A 84 -17.517 -6.701 -10.223 1.00 0.00 C ATOM 1050 C VAL A 84 -17.800 -5.215 -10.026 1.00 0.00 C ATOM 1051 O VAL A 84 -18.427 -4.815 -9.044 1.00 0.00 O ATOM 1052 CB VAL A 84 -16.066 -7.009 -9.835 1.00 0.00 C ATOM 1053 CG1 VAL A 84 -15.750 -6.385 -8.466 1.00 0.00 C ATOM 1054 CG2 VAL A 84 -15.865 -8.530 -9.760 1.00 0.00 C ATOM 0 H VAL A 84 -16.918 -7.362 -12.121 1.00 0.00 H new ATOM 0 HA VAL A 84 -18.190 -7.272 -9.584 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.398 -6.589 -10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.718 -6.607 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.888 -5.305 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.420 -6.800 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.833 -8.747 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.537 -8.949 -9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.082 -8.974 -10.731 1.00 0.00 H new ATOM 1064 N GLU A 85 -17.319 -4.404 -10.959 1.00 0.00 N ATOM 1065 CA GLU A 85 -17.509 -2.966 -10.876 1.00 0.00 C ATOM 1066 C GLU A 85 -18.991 -2.619 -10.905 1.00 0.00 C ATOM 1067 O GLU A 85 -19.460 -1.792 -10.126 1.00 0.00 O ATOM 1068 CB GLU A 85 -16.796 -2.277 -12.041 1.00 0.00 C ATOM 1069 CG GLU A 85 -16.871 -0.758 -11.861 1.00 0.00 C ATOM 1070 CD GLU A 85 -16.147 -0.060 -13.007 1.00 0.00 C ATOM 1071 OE1 GLU A 85 -15.847 -0.725 -13.985 1.00 0.00 O ATOM 1072 OE2 GLU A 85 -15.906 1.130 -12.890 1.00 0.00 O ATOM 0 H GLU A 85 -16.797 -4.717 -11.777 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.086 -2.616 -9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.755 -2.598 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.258 -2.565 -12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.913 -0.438 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.422 -0.474 -10.909 1.00 0.00 H new ATOM 1079 N LEU A 86 -19.722 -3.259 -11.803 1.00 0.00 N ATOM 1080 CA LEU A 86 -21.155 -3.020 -11.922 1.00 0.00 C ATOM 1081 C LEU A 86 -21.889 -3.479 -10.669 1.00 0.00 C ATOM 1082 O LEU A 86 -22.819 -2.822 -10.204 1.00 0.00 O ATOM 1083 CB LEU A 86 -21.700 -3.768 -13.139 1.00 0.00 C ATOM 1084 CG LEU A 86 -21.194 -3.102 -14.432 1.00 0.00 C ATOM 1085 CD1 LEU A 86 -21.327 -4.085 -15.599 1.00 0.00 C ATOM 1086 CD2 LEU A 86 -22.019 -1.840 -14.748 1.00 0.00 C ATOM 0 H LEU A 86 -19.350 -3.946 -12.459 1.00 0.00 H new ATOM 0 HA LEU A 86 -21.317 -1.949 -12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -21.383 -4.810 -13.108 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -22.790 -3.766 -13.121 1.00 0.00 H new ATOM 0 HG LEU A 86 -20.150 -2.822 -14.292 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -20.969 -3.614 -16.514 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -20.734 -4.976 -15.394 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -22.373 -4.366 -15.721 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -21.647 -1.383 -15.665 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -23.066 -2.113 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -21.928 -1.130 -13.926 1.00 0.00 H new ATOM 1098 N MET A 87 -21.465 -4.616 -10.136 1.00 0.00 N ATOM 1099 CA MET A 87 -22.094 -5.158 -8.938 1.00 0.00 C ATOM 1100 C MET A 87 -21.977 -4.167 -7.790 1.00 0.00 C ATOM 1101 O MET A 87 -22.957 -3.897 -7.096 1.00 0.00 O ATOM 1102 CB MET A 87 -21.426 -6.489 -8.554 1.00 0.00 C ATOM 1103 CG MET A 87 -21.998 -7.620 -9.407 1.00 0.00 C ATOM 1104 SD MET A 87 -23.700 -7.956 -8.876 1.00 0.00 S ATOM 1105 CE MET A 87 -24.521 -7.653 -10.459 1.00 0.00 C ATOM 0 H MET A 87 -20.698 -5.176 -10.508 1.00 0.00 H new ATOM 0 HA MET A 87 -23.150 -5.335 -9.142 1.00 0.00 H new ATOM 0 HB2 MET A 87 -20.348 -6.421 -8.700 1.00 0.00 H new ATOM 0 HB3 MET A 87 -21.592 -6.698 -7.497 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.980 -7.343 -10.461 1.00 0.00 H new ATOM 0 HG3 MET A 87 -21.387 -8.517 -9.303 1.00 0.00 H new ATOM 0 HE1 MET A 87 -25.594 -7.808 -10.348 1.00 0.00 H new ATOM 0 HE2 MET A 87 -24.334 -6.627 -10.776 1.00 0.00 H new ATOM 0 HE3 MET A 87 -24.131 -8.341 -11.209 1.00 0.00 H new ATOM 1115 N GLY A 88 -20.777 -3.618 -7.600 1.00 0.00 N ATOM 1116 CA GLY A 88 -20.547 -2.646 -6.531 1.00 0.00 C ATOM 1117 C GLY A 88 -21.327 -3.021 -5.268 1.00 0.00 C ATOM 1118 O GLY A 88 -22.232 -2.296 -4.853 1.00 0.00 O ATOM 0 H GLY A 88 -19.955 -3.827 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.482 -2.596 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -20.848 -1.654 -6.867 1.00 0.00 H new