USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 121 ASN :FLIP amide:sc= -7.02! C(o=-9.2!,f=-5.6!) USER MOD Set 1.2: A 140 THR OG1 : rot 165:sc= 1.37 USER MOD Set 2.1: A 124 ASN : amide:sc= -0.0659 X(o=0.032,f=0.048) USER MOD Set 2.2: A 126 THR OG1 : rot 180:sc= 0.0983 USER MOD Set 3.1: A 112 HIS : no HD1:sc= -1.41 K(o=-3.6,f=-4.2) USER MOD Set 3.2: A 151 ASN :FLIP amide:sc= -2.24! F(o=-7.3,f=-3.6!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -3.05 K(o=-3.1,f=-11!) USER MOD Single : A 91 LYS NZ :NH3+ -156:sc= -0.331 (180deg=-1.23!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 103:sc= -0.566 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 108 GLN : amide:sc= -0.589 K(o=-0.59,f=-2.5!) USER MOD Single : A 110 SER OG : rot 40:sc= 0.975 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= -2.26 F(o=-3.2,f=-2.3) USER MOD Single : A 128 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 129 SER OG : rot 180:sc=0.000268 USER MOD Single : A 132 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.76) USER MOD Single : A 134 GLN : amide:sc= -3.44! C(o=-3.4!,f=-5.1!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 MET CE :methyl -154:sc= -0.572 (180deg=-1.19) USER MOD Single : A 145 SER OG : rot 180:sc=-0.00507 USER MOD Single : A 147 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0504) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 13.386 0.486 6.432 1.00 0.00 N ATOM 2 CA VAL A 69 12.187 0.212 5.598 1.00 0.00 C ATOM 3 C VAL A 69 11.219 -0.723 6.317 1.00 0.00 C ATOM 4 O VAL A 69 11.430 -1.082 7.475 1.00 0.00 O ATOM 5 CB VAL A 69 12.577 -0.408 4.242 1.00 0.00 C ATOM 6 CG1 VAL A 69 13.480 0.538 3.464 1.00 0.00 C ATOM 7 CG2 VAL A 69 13.254 -1.758 4.438 1.00 0.00 C ATOM 0 HA VAL A 69 11.697 1.169 5.422 1.00 0.00 H new ATOM 0 HB VAL A 69 11.666 -0.568 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.746 0.084 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.956 1.477 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.386 0.731 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.520 -2.176 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.156 -1.629 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.572 -2.436 4.950 1.00 0.00 H new ATOM 17 N ARG A 70 10.154 -1.107 5.623 1.00 0.00 N ATOM 18 CA ARG A 70 9.146 -1.996 6.190 1.00 0.00 C ATOM 19 C ARG A 70 8.361 -2.678 5.078 1.00 0.00 C ATOM 20 O ARG A 70 8.293 -2.169 3.963 1.00 0.00 O ATOM 21 CB ARG A 70 8.195 -1.203 7.090 1.00 0.00 C ATOM 22 CG ARG A 70 8.246 -1.621 8.549 1.00 0.00 C ATOM 23 CD ARG A 70 7.532 -2.943 8.774 1.00 0.00 C ATOM 24 NE ARG A 70 7.093 -3.100 10.159 1.00 0.00 N ATOM 25 CZ ARG A 70 7.922 -3.302 11.181 1.00 0.00 C ATOM 26 NH1 ARG A 70 9.233 -3.373 10.978 1.00 0.00 N ATOM 27 NH2 ARG A 70 7.440 -3.432 12.409 1.00 0.00 N ATOM 0 H ARG A 70 9.966 -0.816 4.664 1.00 0.00 H new ATOM 0 HA ARG A 70 9.647 -2.759 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.438 -0.143 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.176 -1.323 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.285 -1.708 8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.787 -0.849 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.669 -3.006 8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.198 -3.764 8.510 1.00 0.00 H new ATOM 0 HE ARG A 70 6.093 -3.052 10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.609 -3.273 10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.863 -3.528 11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.434 -3.377 12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.075 -3.587 13.192 1.00 0.00 H new ATOM 41 N LEU A 71 7.761 -3.825 5.381 1.00 0.00 N ATOM 42 CA LEU A 71 6.979 -4.544 4.384 1.00 0.00 C ATOM 43 C LEU A 71 5.629 -4.972 4.954 1.00 0.00 C ATOM 44 O LEU A 71 5.489 -5.185 6.158 1.00 0.00 O ATOM 45 CB LEU A 71 7.759 -5.758 3.848 1.00 0.00 C ATOM 46 CG LEU A 71 7.379 -7.128 4.431 1.00 0.00 C ATOM 47 CD1 LEU A 71 7.057 -8.108 3.314 1.00 0.00 C ATOM 48 CD2 LEU A 71 8.498 -7.668 5.310 1.00 0.00 C ATOM 0 H LEU A 71 7.801 -4.271 6.297 1.00 0.00 H new ATOM 0 HA LEU A 71 6.792 -3.868 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.626 -5.799 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.820 -5.591 4.033 1.00 0.00 H new ATOM 0 HG LEU A 71 6.490 -7.004 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.790 -9.074 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.221 -7.728 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.929 -8.226 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.208 -8.639 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.406 -7.778 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.682 -6.975 6.131 1.00 0.00 H new ATOM 60 N ILE A 72 4.644 -5.098 4.077 1.00 0.00 N ATOM 61 CA ILE A 72 3.304 -5.506 4.480 1.00 0.00 C ATOM 62 C ILE A 72 2.758 -6.552 3.519 1.00 0.00 C ATOM 63 O ILE A 72 2.551 -6.274 2.339 1.00 0.00 O ATOM 64 CB ILE A 72 2.337 -4.306 4.522 1.00 0.00 C ATOM 65 CG1 ILE A 72 3.068 -3.049 5.002 1.00 0.00 C ATOM 66 CG2 ILE A 72 1.145 -4.615 5.418 1.00 0.00 C ATOM 67 CD1 ILE A 72 3.518 -3.120 6.447 1.00 0.00 C ATOM 0 H ILE A 72 4.747 -4.923 3.077 1.00 0.00 H new ATOM 0 HA ILE A 72 3.380 -5.928 5.482 1.00 0.00 H new ATOM 0 HB ILE A 72 1.966 -4.121 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.938 -2.881 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.412 -2.188 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.472 -3.758 5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.614 -5.485 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.494 -4.824 6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.028 -2.195 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.650 -3.256 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.200 -3.960 6.575 1.00 0.00 H new ATOM 79 N GLN A 73 2.530 -7.759 4.026 1.00 0.00 N ATOM 80 CA GLN A 73 2.019 -8.841 3.200 1.00 0.00 C ATOM 81 C GLN A 73 0.577 -9.160 3.556 1.00 0.00 C ATOM 82 O GLN A 73 0.279 -9.556 4.682 1.00 0.00 O ATOM 83 CB GLN A 73 2.887 -10.089 3.365 1.00 0.00 C ATOM 84 CG GLN A 73 4.005 -10.192 2.339 1.00 0.00 C ATOM 85 CD GLN A 73 3.910 -11.447 1.495 1.00 0.00 C ATOM 86 OE1 GLN A 73 4.074 -12.560 1.995 1.00 0.00 O ATOM 87 NE2 GLN A 73 3.644 -11.275 0.205 1.00 0.00 N ATOM 0 H GLN A 73 2.691 -8.010 5.002 1.00 0.00 H new ATOM 0 HA GLN A 73 2.053 -8.519 2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.321 -10.090 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.255 -10.974 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.977 -9.318 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.966 -10.176 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.515 -10.334 -0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.569 -12.083 -0.412 1.00 0.00 H new ATOM 96 N PHE A 74 -0.318 -8.997 2.588 1.00 0.00 N ATOM 97 CA PHE A 74 -1.728 -9.286 2.817 1.00 0.00 C ATOM 98 C PHE A 74 -2.319 -10.092 1.666 1.00 0.00 C ATOM 99 O PHE A 74 -1.664 -10.312 0.647 1.00 0.00 O ATOM 100 CB PHE A 74 -2.531 -7.997 3.026 1.00 0.00 C ATOM 101 CG PHE A 74 -2.405 -6.990 1.915 1.00 0.00 C ATOM 102 CD1 PHE A 74 -2.724 -7.323 0.606 1.00 0.00 C ATOM 103 CD2 PHE A 74 -1.977 -5.702 2.187 1.00 0.00 C ATOM 104 CE1 PHE A 74 -2.614 -6.389 -0.407 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.869 -4.765 1.179 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.186 -5.108 -0.120 1.00 0.00 C ATOM 0 H PHE A 74 -0.096 -8.670 1.648 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.794 -9.884 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.583 -8.256 3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.209 -7.532 3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.062 -8.323 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.724 -5.427 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.863 -6.661 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.536 -3.763 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.099 -4.376 -0.910 1.00 0.00 H new ATOM 116 N GLU A 75 -3.563 -10.528 1.840 1.00 0.00 N ATOM 117 CA GLU A 75 -4.253 -11.312 0.820 1.00 0.00 C ATOM 118 C GLU A 75 -5.323 -10.480 0.120 1.00 0.00 C ATOM 119 O GLU A 75 -6.231 -9.953 0.762 1.00 0.00 O ATOM 120 CB GLU A 75 -4.894 -12.555 1.446 1.00 0.00 C ATOM 121 CG GLU A 75 -5.480 -12.313 2.828 1.00 0.00 C ATOM 122 CD GLU A 75 -6.684 -13.190 3.112 1.00 0.00 C ATOM 123 OE1 GLU A 75 -6.697 -14.348 2.646 1.00 0.00 O ATOM 124 OE2 GLU A 75 -7.613 -12.718 3.802 1.00 0.00 O ATOM 0 H GLU A 75 -4.115 -10.351 2.679 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.515 -11.621 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.682 -12.918 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.145 -13.344 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.714 -12.499 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.768 -11.266 2.918 1.00 0.00 H new ATOM 244 N GLY A 83 -9.765 -2.400 1.712 1.00 0.00 N ATOM 245 CA GLY A 83 -10.189 -1.076 1.296 1.00 0.00 C ATOM 246 C GLY A 83 -9.276 0.015 1.822 1.00 0.00 C ATOM 247 O GLY A 83 -9.563 0.631 2.848 1.00 0.00 O ATOM 0 HA2 GLY A 83 -10.215 -1.031 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.205 -0.896 1.647 1.00 0.00 H new ATOM 251 N ILE A 84 -8.173 0.251 1.121 1.00 0.00 N ATOM 252 CA ILE A 84 -7.215 1.273 1.529 1.00 0.00 C ATOM 253 C ILE A 84 -6.866 2.199 0.368 1.00 0.00 C ATOM 254 O ILE A 84 -7.037 1.843 -0.797 1.00 0.00 O ATOM 255 CB ILE A 84 -5.922 0.640 2.077 1.00 0.00 C ATOM 256 CG1 ILE A 84 -5.255 -0.227 1.008 1.00 0.00 C ATOM 257 CG2 ILE A 84 -6.224 -0.183 3.320 1.00 0.00 C ATOM 258 CD1 ILE A 84 -3.749 -0.093 0.974 1.00 0.00 C ATOM 0 H ILE A 84 -7.920 -0.250 0.269 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.690 1.855 2.319 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.232 1.439 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.515 -1.271 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.658 0.041 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.302 -0.625 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.658 0.460 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.930 -0.975 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.344 -0.736 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.480 0.943 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.335 -0.389 1.938 1.00 0.00 H new ATOM 270 N THR A 85 -6.377 3.390 0.696 1.00 0.00 N ATOM 271 CA THR A 85 -6.003 4.370 -0.317 1.00 0.00 C ATOM 272 C THR A 85 -4.785 5.173 0.132 1.00 0.00 C ATOM 273 O THR A 85 -4.505 5.276 1.325 1.00 0.00 O ATOM 274 CB THR A 85 -7.178 5.307 -0.601 1.00 0.00 C ATOM 275 OG1 THR A 85 -8.286 4.582 -1.104 1.00 0.00 O ATOM 276 CG2 THR A 85 -6.851 6.397 -1.598 1.00 0.00 C ATOM 0 H THR A 85 -6.230 3.700 1.657 1.00 0.00 H new ATOM 0 HA THR A 85 -5.744 3.838 -1.233 1.00 0.00 H new ATOM 0 HB THR A 85 -7.411 5.774 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.028 5.198 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.729 7.024 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.032 7.006 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.556 5.947 -2.546 1.00 0.00 H new ATOM 284 N LEU A 86 -4.064 5.741 -0.832 1.00 0.00 N ATOM 285 CA LEU A 86 -2.878 6.532 -0.528 1.00 0.00 C ATOM 286 C LEU A 86 -2.838 7.811 -1.356 1.00 0.00 C ATOM 287 O LEU A 86 -3.338 7.856 -2.480 1.00 0.00 O ATOM 288 CB LEU A 86 -1.610 5.714 -0.777 1.00 0.00 C ATOM 289 CG LEU A 86 -1.405 5.267 -2.223 1.00 0.00 C ATOM 290 CD1 LEU A 86 0.017 4.775 -2.437 1.00 0.00 C ATOM 291 CD2 LEU A 86 -2.407 4.182 -2.584 1.00 0.00 C ATOM 0 H LEU A 86 -4.281 5.668 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.926 6.807 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.748 6.306 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.634 4.830 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.569 6.124 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.141 4.461 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.718 5.580 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.213 3.930 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.251 3.872 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.270 3.326 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.419 4.569 -2.471 1.00 0.00 H new ATOM 303 N LYS A 87 -2.232 8.847 -0.787 1.00 0.00 N ATOM 304 CA LYS A 87 -2.111 10.134 -1.457 1.00 0.00 C ATOM 305 C LYS A 87 -0.674 10.640 -1.380 1.00 0.00 C ATOM 306 O LYS A 87 -0.015 10.504 -0.351 1.00 0.00 O ATOM 307 CB LYS A 87 -3.055 11.155 -0.821 1.00 0.00 C ATOM 308 CG LYS A 87 -4.527 10.831 -1.020 1.00 0.00 C ATOM 309 CD LYS A 87 -5.366 11.295 0.160 1.00 0.00 C ATOM 310 CE LYS A 87 -6.837 10.965 -0.037 1.00 0.00 C ATOM 311 NZ LYS A 87 -7.597 12.121 -0.588 1.00 0.00 N ATOM 0 H LYS A 87 -1.815 8.818 0.143 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.384 10.003 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.846 11.214 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.848 12.139 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.885 11.308 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.649 9.756 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.005 10.821 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.248 12.371 0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.931 10.114 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.273 10.665 0.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.595 11.855 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.529 12.925 0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.198 12.391 -1.510 1.00 0.00 H new ATOM 325 N LEU A 88 -0.189 11.213 -2.474 1.00 0.00 N ATOM 326 CA LEU A 88 1.173 11.730 -2.516 1.00 0.00 C ATOM 327 C LEU A 88 1.212 13.150 -3.071 1.00 0.00 C ATOM 328 O LEU A 88 0.304 13.576 -3.783 1.00 0.00 O ATOM 329 CB LEU A 88 2.073 10.806 -3.338 1.00 0.00 C ATOM 330 CG LEU A 88 1.487 10.304 -4.654 1.00 0.00 C ATOM 331 CD1 LEU A 88 0.360 9.314 -4.403 1.00 0.00 C ATOM 332 CD2 LEU A 88 1.010 11.476 -5.476 1.00 0.00 C ATOM 0 H LEU A 88 -0.715 11.331 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 88 1.549 11.763 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.002 11.333 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.332 9.943 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 88 2.263 9.779 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.042 8.970 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.743 8.461 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.430 9.800 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.592 11.115 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.244 12.020 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.849 12.140 -5.684 1.00 0.00 H new ATOM 344 N ASN A 89 2.272 13.878 -2.737 1.00 0.00 N ATOM 345 CA ASN A 89 2.437 15.252 -3.198 1.00 0.00 C ATOM 346 C ASN A 89 2.614 15.296 -4.719 1.00 0.00 C ATOM 347 O ASN A 89 2.234 14.361 -5.420 1.00 0.00 O ATOM 348 CB ASN A 89 3.626 15.912 -2.489 1.00 0.00 C ATOM 349 CG ASN A 89 4.965 15.394 -2.978 1.00 0.00 C ATOM 350 OD1 ASN A 89 5.590 15.992 -3.853 1.00 0.00 O ATOM 351 ND2 ASN A 89 5.412 14.280 -2.412 1.00 0.00 N ATOM 0 H ASN A 89 3.032 13.538 -2.147 1.00 0.00 H new ATOM 0 HA ASN A 89 1.535 15.812 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.581 16.990 -2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.545 15.739 -1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.308 13.886 -2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.860 13.818 -1.690 1.00 0.00 H new ATOM 358 N GLU A 90 3.178 16.390 -5.224 1.00 0.00 N ATOM 359 CA GLU A 90 3.388 16.549 -6.661 1.00 0.00 C ATOM 360 C GLU A 90 4.588 15.740 -7.164 1.00 0.00 C ATOM 361 O GLU A 90 4.969 15.852 -8.329 1.00 0.00 O ATOM 362 CB GLU A 90 3.582 18.027 -7.003 1.00 0.00 C ATOM 363 CG GLU A 90 4.699 18.692 -6.215 1.00 0.00 C ATOM 364 CD GLU A 90 5.144 20.005 -6.829 1.00 0.00 C ATOM 365 OE1 GLU A 90 4.522 21.044 -6.522 1.00 0.00 O ATOM 366 OE2 GLU A 90 6.113 19.993 -7.617 1.00 0.00 O ATOM 0 H GLU A 90 3.497 17.178 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 90 2.499 16.167 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.795 18.120 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.650 18.560 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.363 18.868 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.551 18.015 -6.158 1.00 0.00 H new ATOM 373 N LYS A 91 5.185 14.928 -6.292 1.00 0.00 N ATOM 374 CA LYS A 91 6.337 14.116 -6.674 1.00 0.00 C ATOM 375 C LYS A 91 5.975 12.634 -6.761 1.00 0.00 C ATOM 376 O LYS A 91 6.855 11.784 -6.904 1.00 0.00 O ATOM 377 CB LYS A 91 7.477 14.309 -5.671 1.00 0.00 C ATOM 378 CG LYS A 91 8.511 15.330 -6.114 1.00 0.00 C ATOM 379 CD LYS A 91 7.921 16.729 -6.178 1.00 0.00 C ATOM 380 CE LYS A 91 9.009 17.790 -6.231 1.00 0.00 C ATOM 381 NZ LYS A 91 10.065 17.554 -5.207 1.00 0.00 N ATOM 0 H LYS A 91 4.891 14.816 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 91 6.660 14.446 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.059 14.620 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.971 13.351 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.353 15.320 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.901 15.053 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.283 16.816 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.288 16.898 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.461 17.798 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.565 18.773 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.543 18.451 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.631 17.173 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.759 16.873 -5.575 1.00 0.00 H new ATOM 395 N GLN A 92 4.685 12.322 -6.668 1.00 0.00 N ATOM 396 CA GLN A 92 4.229 10.937 -6.732 1.00 0.00 C ATOM 397 C GLN A 92 4.983 10.074 -5.723 1.00 0.00 C ATOM 398 O GLN A 92 5.479 8.996 -6.052 1.00 0.00 O ATOM 399 CB GLN A 92 4.417 10.379 -8.144 1.00 0.00 C ATOM 400 CG GLN A 92 3.653 11.149 -9.210 1.00 0.00 C ATOM 401 CD GLN A 92 4.533 11.569 -10.372 1.00 0.00 C ATOM 402 OE1 GLN A 92 5.389 12.442 -10.234 1.00 0.00 O ATOM 403 NE2 GLN A 92 4.323 10.945 -11.526 1.00 0.00 N ATOM 0 H GLN A 92 3.939 13.007 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 92 3.168 10.915 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.479 10.389 -8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.096 9.337 -8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.836 10.532 -9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.204 12.035 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.602 10.227 -11.594 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.883 11.184 -12.344 1.00 0.00 H new ATOM 412 N SER A 93 5.074 10.571 -4.493 1.00 0.00 N ATOM 413 CA SER A 93 5.780 9.873 -3.422 1.00 0.00 C ATOM 414 C SER A 93 4.910 8.819 -2.737 1.00 0.00 C ATOM 415 O SER A 93 5.268 8.311 -1.675 1.00 0.00 O ATOM 416 CB SER A 93 6.262 10.888 -2.391 1.00 0.00 C ATOM 417 OG SER A 93 7.673 11.017 -2.418 1.00 0.00 O ATOM 0 H SER A 93 4.664 11.462 -4.211 1.00 0.00 H new ATOM 0 HA SER A 93 6.626 9.352 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.802 11.856 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.942 10.579 -1.396 1.00 0.00 H new ATOM 0 HG SER A 93 7.954 11.675 -1.748 1.00 0.00 H new ATOM 423 N CYS A 94 3.781 8.497 -3.354 1.00 0.00 N ATOM 424 CA CYS A 94 2.844 7.500 -2.820 1.00 0.00 C ATOM 425 C CYS A 94 2.865 7.439 -1.293 1.00 0.00 C ATOM 426 O CYS A 94 3.537 6.588 -0.711 1.00 0.00 O ATOM 427 CB CYS A 94 3.146 6.108 -3.392 1.00 0.00 C ATOM 428 SG CYS A 94 4.816 5.914 -4.067 1.00 0.00 S ATOM 0 H CYS A 94 3.484 8.914 -4.236 1.00 0.00 H new ATOM 0 HA CYS A 94 1.847 7.815 -3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.998 5.367 -2.606 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.423 5.888 -4.178 1.00 0.00 H new ATOM 0 HG CYS A 94 5.553 5.258 -3.220 1.00 0.00 H new ATOM 434 N THR A 95 2.117 8.330 -0.648 1.00 0.00 N ATOM 435 CA THR A 95 2.054 8.346 0.806 1.00 0.00 C ATOM 436 C THR A 95 0.699 7.835 1.278 1.00 0.00 C ATOM 437 O THR A 95 -0.335 8.426 0.974 1.00 0.00 O ATOM 438 CB THR A 95 2.313 9.759 1.347 1.00 0.00 C ATOM 439 OG1 THR A 95 3.703 10.013 1.431 1.00 0.00 O ATOM 440 CG2 THR A 95 1.720 10.005 2.724 1.00 0.00 C ATOM 0 H THR A 95 1.551 9.044 -1.107 1.00 0.00 H new ATOM 0 HA THR A 95 2.832 7.687 1.192 1.00 0.00 H new ATOM 0 HB THR A 95 1.824 10.428 0.639 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.850 10.918 1.776 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.944 11.024 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.640 9.866 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.151 9.302 3.437 1.00 0.00 H new ATOM 448 N VAL A 96 0.717 6.733 2.024 1.00 0.00 N ATOM 449 CA VAL A 96 -0.505 6.132 2.551 1.00 0.00 C ATOM 450 C VAL A 96 -1.491 7.209 3.009 1.00 0.00 C ATOM 451 O VAL A 96 -1.085 8.252 3.520 1.00 0.00 O ATOM 452 CB VAL A 96 -0.177 5.188 3.720 1.00 0.00 C ATOM 453 CG1 VAL A 96 -1.438 4.527 4.254 1.00 0.00 C ATOM 454 CG2 VAL A 96 0.848 4.146 3.282 1.00 0.00 C ATOM 0 H VAL A 96 1.570 6.236 2.278 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.970 5.557 1.750 1.00 0.00 H new ATOM 0 HB VAL A 96 0.255 5.775 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.180 3.864 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.129 5.293 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.910 3.949 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.073 3.483 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.443 3.563 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.761 4.647 2.960 1.00 0.00 H new ATOM 464 N ALA A 97 -2.782 6.969 2.791 1.00 0.00 N ATOM 465 CA ALA A 97 -3.803 7.946 3.152 1.00 0.00 C ATOM 466 C ALA A 97 -4.823 7.396 4.144 1.00 0.00 C ATOM 467 O ALA A 97 -4.826 7.774 5.315 1.00 0.00 O ATOM 468 CB ALA A 97 -4.511 8.440 1.901 1.00 0.00 C ATOM 0 H ALA A 97 -3.143 6.113 2.369 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.293 8.774 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.272 9.169 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.787 8.907 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.982 7.598 1.393 1.00 0.00 H new ATOM 474 N ARG A 98 -5.710 6.530 3.666 1.00 0.00 N ATOM 475 CA ARG A 98 -6.752 5.968 4.520 1.00 0.00 C ATOM 476 C ARG A 98 -6.732 4.442 4.525 1.00 0.00 C ATOM 477 O ARG A 98 -6.106 3.810 3.676 1.00 0.00 O ATOM 478 CB ARG A 98 -8.129 6.467 4.070 1.00 0.00 C ATOM 479 CG ARG A 98 -8.322 6.474 2.559 1.00 0.00 C ATOM 480 CD ARG A 98 -9.413 7.446 2.143 1.00 0.00 C ATOM 481 NE ARG A 98 -10.735 6.824 2.153 1.00 0.00 N ATOM 482 CZ ARG A 98 -11.877 7.510 2.148 1.00 0.00 C ATOM 483 NH1 ARG A 98 -11.861 8.837 2.134 1.00 0.00 N ATOM 484 NH2 ARG A 98 -13.036 6.867 2.158 1.00 0.00 N ATOM 0 H ARG A 98 -5.730 6.203 2.700 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.552 6.304 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.897 5.839 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.280 7.477 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.385 6.746 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.578 5.471 2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.411 8.303 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.199 7.825 1.144 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.787 5.805 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.972 9.336 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.738 9.358 2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.053 5.847 2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.911 7.392 2.154 1.00 0.00 H new ATOM 498 N ILE A 99 -7.436 3.867 5.497 1.00 0.00 N ATOM 499 CA ILE A 99 -7.526 2.419 5.641 1.00 0.00 C ATOM 500 C ILE A 99 -8.866 2.031 6.262 1.00 0.00 C ATOM 501 O ILE A 99 -9.070 2.187 7.466 1.00 0.00 O ATOM 502 CB ILE A 99 -6.373 1.865 6.512 1.00 0.00 C ATOM 503 CG1 ILE A 99 -5.064 1.862 5.723 1.00 0.00 C ATOM 504 CG2 ILE A 99 -6.688 0.460 7.013 1.00 0.00 C ATOM 505 CD1 ILE A 99 -4.248 3.125 5.896 1.00 0.00 C ATOM 0 H ILE A 99 -7.956 4.389 6.202 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.445 1.983 4.645 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.263 2.518 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.464 1.007 6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.288 1.726 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.860 0.097 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.597 0.483 7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.832 -0.206 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.334 3.051 5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.829 3.983 5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.993 3.252 6.948 1.00 0.00 H new ATOM 517 N LEU A 100 -9.774 1.525 5.435 1.00 0.00 N ATOM 518 CA LEU A 100 -11.094 1.115 5.905 1.00 0.00 C ATOM 519 C LEU A 100 -10.975 0.145 7.081 1.00 0.00 C ATOM 520 O LEU A 100 -10.122 -0.743 7.083 1.00 0.00 O ATOM 521 CB LEU A 100 -11.883 0.472 4.757 1.00 0.00 C ATOM 522 CG LEU A 100 -13.034 -0.445 5.179 1.00 0.00 C ATOM 523 CD1 LEU A 100 -14.190 -0.340 4.195 1.00 0.00 C ATOM 524 CD2 LEU A 100 -12.552 -1.883 5.286 1.00 0.00 C ATOM 0 H LEU A 100 -9.621 1.389 4.436 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.629 2.000 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.286 1.265 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.191 -0.103 4.141 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.390 -0.126 6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.998 -0.999 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.550 0.688 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.850 -0.634 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.381 -2.523 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.172 -2.212 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.757 -1.946 6.029 1.00 0.00 H new ATOM 585 N ILE A 105 -5.353 -4.542 6.694 1.00 0.00 N ATOM 586 CA ILE A 105 -4.486 -3.391 6.916 1.00 0.00 C ATOM 587 C ILE A 105 -4.767 -2.758 8.272 1.00 0.00 C ATOM 588 O ILE A 105 -3.919 -2.776 9.164 1.00 0.00 O ATOM 589 CB ILE A 105 -4.666 -2.326 5.817 1.00 0.00 C ATOM 590 CG1 ILE A 105 -4.586 -2.966 4.431 1.00 0.00 C ATOM 591 CG2 ILE A 105 -3.614 -1.239 5.965 1.00 0.00 C ATOM 592 CD1 ILE A 105 -3.210 -3.496 4.090 1.00 0.00 C ATOM 0 HA ILE A 105 -3.459 -3.755 6.887 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.652 -1.874 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.306 -3.783 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.879 -2.230 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.751 -0.492 5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.715 -0.765 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.621 -1.679 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.226 -3.936 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.489 -2.679 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.922 -4.255 4.817 1.00 0.00 H new ATOM 604 N HIS A 106 -5.969 -2.209 8.427 1.00 0.00 N ATOM 605 CA HIS A 106 -6.369 -1.579 9.681 1.00 0.00 C ATOM 606 C HIS A 106 -6.098 -2.509 10.862 1.00 0.00 C ATOM 607 O HIS A 106 -5.845 -2.057 11.978 1.00 0.00 O ATOM 608 CB HIS A 106 -7.853 -1.210 9.642 1.00 0.00 C ATOM 609 CG HIS A 106 -8.189 -0.001 10.460 1.00 0.00 C ATOM 610 ND1 HIS A 106 -9.072 -0.030 11.519 1.00 0.00 N ATOM 611 CD2 HIS A 106 -7.751 1.277 10.372 1.00 0.00 C ATOM 612 CE1 HIS A 106 -9.164 1.178 12.046 1.00 0.00 C ATOM 613 NE2 HIS A 106 -8.372 1.989 11.369 1.00 0.00 N ATOM 0 H HIS A 106 -6.683 -2.188 7.699 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.780 -0.671 9.808 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -8.148 -1.033 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.439 -2.056 10.000 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.045 1.664 9.652 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.782 1.455 12.887 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.242 2.983 11.556 1.00 0.00 H new ATOM 622 N ARG A 107 -6.153 -3.812 10.603 1.00 0.00 N ATOM 623 CA ARG A 107 -5.913 -4.812 11.636 1.00 0.00 C ATOM 624 C ARG A 107 -4.423 -5.124 11.758 1.00 0.00 C ATOM 625 O ARG A 107 -3.957 -5.563 12.809 1.00 0.00 O ATOM 626 CB ARG A 107 -6.687 -6.094 11.319 1.00 0.00 C ATOM 627 CG ARG A 107 -8.155 -6.030 11.710 1.00 0.00 C ATOM 628 CD ARG A 107 -8.501 -7.078 12.757 1.00 0.00 C ATOM 629 NE ARG A 107 -8.171 -6.633 14.108 1.00 0.00 N ATOM 630 CZ ARG A 107 -8.923 -5.794 14.817 1.00 0.00 C ATOM 631 NH1 ARG A 107 -10.048 -5.308 14.307 1.00 0.00 N ATOM 632 NH2 ARG A 107 -8.550 -5.439 16.039 1.00 0.00 N ATOM 0 H ARG A 107 -6.362 -4.200 9.683 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.260 -4.407 12.587 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.612 -6.299 10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.217 -6.930 11.838 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.386 -5.038 12.097 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.775 -6.180 10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.565 -7.308 12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.963 -8.000 12.538 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.314 -6.986 14.534 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.340 -5.577 13.367 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.620 -4.665 14.855 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.686 -5.809 16.436 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.127 -4.796 16.582 1.00 0.00 H new ATOM 646 N GLN A 108 -3.683 -4.895 10.676 1.00 0.00 N ATOM 647 CA GLN A 108 -2.245 -5.151 10.658 1.00 0.00 C ATOM 648 C GLN A 108 -1.557 -4.523 11.868 1.00 0.00 C ATOM 649 O GLN A 108 -0.811 -5.189 12.584 1.00 0.00 O ATOM 650 CB GLN A 108 -1.628 -4.609 9.366 1.00 0.00 C ATOM 651 CG GLN A 108 -0.642 -5.566 8.715 1.00 0.00 C ATOM 652 CD GLN A 108 -1.309 -6.821 8.190 1.00 0.00 C ATOM 653 OE1 GLN A 108 -1.727 -7.686 8.960 1.00 0.00 O ATOM 654 NE2 GLN A 108 -1.414 -6.927 6.870 1.00 0.00 N ATOM 0 H GLN A 108 -4.056 -4.532 9.799 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.095 -6.230 10.703 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.426 -4.385 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -1.121 -3.669 9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.136 -5.058 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.124 -5.842 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.054 -6.186 6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.855 -7.749 6.458 1.00 0.00 H new ATOM 663 N GLY A 109 -1.814 -3.237 12.088 1.00 0.00 N ATOM 664 CA GLY A 109 -1.211 -2.543 13.210 1.00 0.00 C ATOM 665 C GLY A 109 0.139 -1.944 12.865 1.00 0.00 C ATOM 666 O GLY A 109 0.379 -0.761 13.104 1.00 0.00 O ATOM 0 H GLY A 109 -2.429 -2.664 11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.881 -1.751 13.546 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.095 -3.237 14.042 1.00 0.00 H new ATOM 670 N SER A 110 1.020 -2.763 12.301 1.00 0.00 N ATOM 671 CA SER A 110 2.352 -2.307 11.920 1.00 0.00 C ATOM 672 C SER A 110 2.275 -1.170 10.904 1.00 0.00 C ATOM 673 O SER A 110 3.229 -0.412 10.736 1.00 0.00 O ATOM 674 CB SER A 110 3.164 -3.467 11.341 1.00 0.00 C ATOM 675 OG SER A 110 4.482 -3.058 11.023 1.00 0.00 O ATOM 0 H SER A 110 0.836 -3.745 12.098 1.00 0.00 H new ATOM 0 HA SER A 110 2.848 -1.934 12.816 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.197 -4.286 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.672 -3.848 10.446 1.00 0.00 H new ATOM 0 HG SER A 110 4.815 -2.457 11.721 1.00 0.00 H new ATOM 681 N LEU A 111 1.134 -1.056 10.228 1.00 0.00 N ATOM 682 CA LEU A 111 0.940 -0.011 9.231 1.00 0.00 C ATOM 683 C LEU A 111 0.940 1.369 9.883 1.00 0.00 C ATOM 684 O LEU A 111 0.619 1.510 11.063 1.00 0.00 O ATOM 685 CB LEU A 111 -0.375 -0.235 8.479 1.00 0.00 C ATOM 686 CG LEU A 111 -0.251 -0.270 6.956 1.00 0.00 C ATOM 687 CD1 LEU A 111 0.184 1.086 6.424 1.00 0.00 C ATOM 688 CD2 LEU A 111 0.728 -1.352 6.527 1.00 0.00 C ATOM 0 H LEU A 111 0.332 -1.674 10.354 1.00 0.00 H new ATOM 0 HA LEU A 111 1.768 -0.058 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.812 -1.175 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.072 0.556 8.754 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.229 -0.505 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.267 1.041 5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.554 1.839 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.151 1.351 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.804 -1.363 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.708 -1.147 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.374 -2.322 6.876 1.00 0.00 H new ATOM 700 N HIS A 112 1.304 2.383 9.105 1.00 0.00 N ATOM 701 CA HIS A 112 1.347 3.750 9.606 1.00 0.00 C ATOM 702 C HIS A 112 0.926 4.740 8.526 1.00 0.00 C ATOM 703 O HIS A 112 1.692 5.039 7.610 1.00 0.00 O ATOM 704 CB HIS A 112 2.753 4.087 10.105 1.00 0.00 C ATOM 705 CG HIS A 112 3.228 3.190 11.206 1.00 0.00 C ATOM 706 ND1 HIS A 112 2.545 3.030 12.393 1.00 0.00 N ATOM 707 CD2 HIS A 112 4.325 2.401 11.295 1.00 0.00 C ATOM 708 CE1 HIS A 112 3.202 2.182 13.166 1.00 0.00 C ATOM 709 NE2 HIS A 112 4.284 1.785 12.522 1.00 0.00 N ATOM 0 H HIS A 112 1.573 2.283 8.126 1.00 0.00 H new ATOM 0 HA HIS A 112 0.645 3.829 10.436 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.451 4.025 9.270 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.768 5.119 10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.089 2.279 10.542 1.00 0.00 H new ATOM 0 HE1 HIS A 112 2.904 1.868 14.155 1.00 0.00 H new ATOM 0 HE2 HIS A 112 4.977 1.127 12.878 1.00 0.00 H new ATOM 718 N VAL A 113 -0.298 5.246 8.640 1.00 0.00 N ATOM 719 CA VAL A 113 -0.827 6.206 7.677 1.00 0.00 C ATOM 720 C VAL A 113 0.114 7.392 7.506 1.00 0.00 C ATOM 721 O VAL A 113 0.748 7.840 8.461 1.00 0.00 O ATOM 722 CB VAL A 113 -2.215 6.719 8.104 1.00 0.00 C ATOM 723 CG1 VAL A 113 -2.779 7.677 7.067 1.00 0.00 C ATOM 724 CG2 VAL A 113 -3.166 5.554 8.337 1.00 0.00 C ATOM 0 H VAL A 113 -0.944 5.006 9.392 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.918 5.683 6.725 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.105 7.264 9.042 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.760 8.026 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.109 8.529 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.874 7.163 6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.142 5.935 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.269 4.979 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.769 4.912 9.123 1.00 0.00 H new ATOM 734 N GLY A 114 0.201 7.891 6.280 1.00 0.00 N ATOM 735 CA GLY A 114 1.068 9.017 5.997 1.00 0.00 C ATOM 736 C GLY A 114 2.464 8.590 5.588 1.00 0.00 C ATOM 737 O GLY A 114 3.236 9.395 5.066 1.00 0.00 O ATOM 0 H GLY A 114 -0.315 7.535 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.628 9.618 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.131 9.653 6.880 1.00 0.00 H new ATOM 741 N ASP A 115 2.791 7.321 5.819 1.00 0.00 N ATOM 742 CA ASP A 115 4.104 6.799 5.462 1.00 0.00 C ATOM 743 C ASP A 115 4.191 6.556 3.961 1.00 0.00 C ATOM 744 O ASP A 115 3.232 6.096 3.341 1.00 0.00 O ATOM 745 CB ASP A 115 4.390 5.502 6.221 1.00 0.00 C ATOM 746 CG ASP A 115 4.403 5.704 7.724 1.00 0.00 C ATOM 747 OD1 ASP A 115 3.594 6.516 8.221 1.00 0.00 O ATOM 748 OD2 ASP A 115 5.221 5.050 8.404 1.00 0.00 O ATOM 0 H ASP A 115 2.167 6.639 6.250 1.00 0.00 H new ATOM 0 HA ASP A 115 4.853 7.540 5.741 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.635 4.759 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.353 5.102 5.902 1.00 0.00 H new ATOM 753 N GLU A 116 5.340 6.876 3.379 1.00 0.00 N ATOM 754 CA GLU A 116 5.541 6.699 1.948 1.00 0.00 C ATOM 755 C GLU A 116 5.919 5.259 1.612 1.00 0.00 C ATOM 756 O GLU A 116 6.564 4.571 2.402 1.00 0.00 O ATOM 757 CB GLU A 116 6.619 7.661 1.439 1.00 0.00 C ATOM 758 CG GLU A 116 8.040 7.228 1.772 1.00 0.00 C ATOM 759 CD GLU A 116 8.816 8.291 2.526 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.186 9.066 3.276 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.053 8.346 2.366 1.00 0.00 O ATOM 0 H GLU A 116 6.145 7.259 3.875 1.00 0.00 H new ATOM 0 HA GLU A 116 4.598 6.924 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.524 7.759 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.441 8.648 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.007 6.317 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.567 6.986 0.849 1.00 0.00 H new ATOM 768 N ILE A 117 5.516 4.822 0.426 1.00 0.00 N ATOM 769 CA ILE A 117 5.809 3.475 -0.044 1.00 0.00 C ATOM 770 C ILE A 117 6.698 3.538 -1.286 1.00 0.00 C ATOM 771 O ILE A 117 6.378 4.228 -2.254 1.00 0.00 O ATOM 772 CB ILE A 117 4.509 2.699 -0.352 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.743 2.430 0.945 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.813 1.392 -1.078 1.00 0.00 C ATOM 775 CD1 ILE A 117 2.474 1.628 0.747 1.00 0.00 C ATOM 0 H ILE A 117 4.980 5.387 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 117 6.338 2.943 0.747 1.00 0.00 H new ATOM 0 HB ILE A 117 3.888 3.309 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.395 1.897 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.491 3.382 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.881 0.865 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.323 1.607 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.453 0.769 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.985 1.477 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.802 2.168 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.720 0.661 0.309 1.00 0.00 H new ATOM 787 N LEU A 118 7.828 2.839 -1.241 1.00 0.00 N ATOM 788 CA LEU A 118 8.779 2.843 -2.350 1.00 0.00 C ATOM 789 C LEU A 118 8.405 1.846 -3.443 1.00 0.00 C ATOM 790 O LEU A 118 8.596 2.118 -4.628 1.00 0.00 O ATOM 791 CB LEU A 118 10.184 2.538 -1.835 1.00 0.00 C ATOM 792 CG LEU A 118 10.304 1.280 -0.971 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.563 0.503 -1.327 1.00 0.00 C ATOM 794 CD2 LEU A 118 10.300 1.645 0.506 1.00 0.00 C ATOM 0 H LEU A 118 8.109 2.262 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 118 8.751 3.839 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 118 10.853 2.437 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.534 3.392 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 118 9.442 0.643 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.630 -0.387 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.524 0.208 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.438 1.131 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.386 0.738 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.142 2.303 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 118 9.369 2.155 0.752 1.00 0.00 H new ATOM 806 N GLU A 119 7.886 0.692 -3.048 1.00 0.00 N ATOM 807 CA GLU A 119 7.507 -0.332 -4.007 1.00 0.00 C ATOM 808 C GLU A 119 6.690 -1.426 -3.343 1.00 0.00 C ATOM 809 O GLU A 119 6.982 -1.852 -2.225 1.00 0.00 O ATOM 810 CB GLU A 119 8.749 -0.939 -4.658 1.00 0.00 C ATOM 811 CG GLU A 119 9.678 -1.626 -3.671 1.00 0.00 C ATOM 812 CD GLU A 119 11.120 -1.641 -4.141 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.623 -0.572 -4.546 1.00 0.00 O ATOM 814 OE2 GLU A 119 11.746 -2.721 -4.103 1.00 0.00 O ATOM 0 H GLU A 119 7.719 0.443 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 119 6.894 0.141 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.437 -1.660 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.299 -0.153 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.619 -1.118 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.341 -2.650 -3.513 1.00 0.00 H new ATOM 821 N ILE A 120 5.669 -1.876 -4.048 1.00 0.00 N ATOM 822 CA ILE A 120 4.793 -2.932 -3.546 1.00 0.00 C ATOM 823 C ILE A 120 4.814 -4.156 -4.453 1.00 0.00 C ATOM 824 O ILE A 120 4.973 -4.048 -5.665 1.00 0.00 O ATOM 825 CB ILE A 120 3.332 -2.451 -3.349 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.469 -2.695 -4.597 1.00 0.00 C ATOM 827 CG2 ILE A 120 3.302 -0.985 -2.959 1.00 0.00 C ATOM 828 CD1 ILE A 120 3.022 -2.103 -5.870 1.00 0.00 C ATOM 0 H ILE A 120 5.421 -1.529 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 120 5.189 -3.208 -2.569 1.00 0.00 H new ATOM 0 HB ILE A 120 2.904 -3.041 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.348 -3.770 -4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.476 -2.282 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.269 -0.665 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.849 -0.845 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.767 -0.390 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.348 -2.325 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.116 -1.023 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 120 4.002 -2.533 -6.076 1.00 0.00 H new ATOM 840 N ASN A 121 4.647 -5.320 -3.844 1.00 0.00 N ATOM 841 CA ASN A 121 4.642 -6.587 -4.574 1.00 0.00 C ATOM 842 C ASN A 121 5.747 -6.637 -5.631 1.00 0.00 C ATOM 843 O ASN A 121 5.596 -7.288 -6.665 1.00 0.00 O ATOM 844 CB ASN A 121 3.284 -6.814 -5.238 1.00 0.00 C ATOM 845 CG ASN A 121 2.874 -8.273 -5.219 1.00 0.00 C ATOM 846 OD1 ASN A 121 2.101 -8.685 -6.216 1.00 0.00 O flip ATOM 847 ND2 ASN A 121 3.252 -9.024 -4.319 1.00 0.00 N flip ATOM 0 H ASN A 121 4.512 -5.418 -2.838 1.00 0.00 H new ATOM 0 HA ASN A 121 4.830 -7.380 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.527 -6.219 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.322 -6.463 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.846 -8.665 -3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.971 -10.005 -4.321 1.00 0.00 H new ATOM 854 N GLY A 122 6.853 -5.947 -5.368 1.00 0.00 N ATOM 855 CA GLY A 122 7.959 -5.935 -6.312 1.00 0.00 C ATOM 856 C GLY A 122 7.730 -4.974 -7.465 1.00 0.00 C ATOM 857 O GLY A 122 8.225 -5.193 -8.571 1.00 0.00 O ATOM 0 H GLY A 122 7.004 -5.398 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.875 -5.659 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 122 8.107 -6.941 -6.706 1.00 0.00 H new ATOM 861 N THR A 123 6.977 -3.911 -7.207 1.00 0.00 N ATOM 862 CA THR A 123 6.679 -2.913 -8.228 1.00 0.00 C ATOM 863 C THR A 123 7.209 -1.543 -7.816 1.00 0.00 C ATOM 864 O THR A 123 6.818 -1.002 -6.780 1.00 0.00 O ATOM 865 CB THR A 123 5.165 -2.843 -8.478 1.00 0.00 C ATOM 866 OG1 THR A 123 4.759 -3.869 -9.366 1.00 0.00 O ATOM 867 CG2 THR A 123 4.695 -1.523 -9.065 1.00 0.00 C ATOM 0 H THR A 123 6.560 -3.718 -6.296 1.00 0.00 H new ATOM 0 HA THR A 123 7.176 -3.210 -9.152 1.00 0.00 H new ATOM 0 HB THR A 123 4.714 -2.958 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.792 -3.811 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.615 -1.554 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.945 -0.711 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.187 -1.355 -10.023 1.00 0.00 H new ATOM 875 N ASN A 124 8.091 -0.985 -8.638 1.00 0.00 N ATOM 876 CA ASN A 124 8.663 0.325 -8.366 1.00 0.00 C ATOM 877 C ASN A 124 7.577 1.393 -8.413 1.00 0.00 C ATOM 878 O ASN A 124 7.399 2.069 -9.425 1.00 0.00 O ATOM 879 CB ASN A 124 9.764 0.649 -9.379 1.00 0.00 C ATOM 880 CG ASN A 124 11.151 0.549 -8.775 1.00 0.00 C ATOM 881 OD1 ASN A 124 11.980 -0.244 -9.222 1.00 0.00 O ATOM 882 ND2 ASN A 124 11.410 1.355 -7.752 1.00 0.00 N ATOM 0 H ASN A 124 8.424 -1.421 -9.498 1.00 0.00 H new ATOM 0 HA ASN A 124 9.102 0.311 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.689 -0.034 -10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.612 1.656 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.326 1.332 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.693 1.997 -7.414 1.00 0.00 H new ATOM 889 N VAL A 125 6.847 1.531 -7.311 1.00 0.00 N ATOM 890 CA VAL A 125 5.773 2.505 -7.221 1.00 0.00 C ATOM 891 C VAL A 125 6.305 3.931 -7.136 1.00 0.00 C ATOM 892 O VAL A 125 5.534 4.891 -7.154 1.00 0.00 O ATOM 893 CB VAL A 125 4.874 2.217 -6.009 1.00 0.00 C ATOM 894 CG1 VAL A 125 4.435 0.764 -6.012 1.00 0.00 C ATOM 895 CG2 VAL A 125 5.591 2.561 -4.717 1.00 0.00 C ATOM 0 H VAL A 125 6.983 0.976 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 125 5.186 2.415 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 125 3.986 2.845 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.799 0.574 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.878 0.554 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.312 0.119 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.937 2.350 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.498 1.962 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 125 5.854 3.619 -4.717 1.00 0.00 H new ATOM 905 N THR A 126 7.622 4.065 -7.037 1.00 0.00 N ATOM 906 CA THR A 126 8.245 5.376 -6.941 1.00 0.00 C ATOM 907 C THR A 126 8.431 6.010 -8.321 1.00 0.00 C ATOM 908 O THR A 126 9.457 6.635 -8.590 1.00 0.00 O ATOM 909 CB THR A 126 9.596 5.268 -6.232 1.00 0.00 C ATOM 910 OG1 THR A 126 10.289 4.106 -6.650 1.00 0.00 O ATOM 911 CG2 THR A 126 9.480 5.218 -4.725 1.00 0.00 C ATOM 0 H THR A 126 8.277 3.283 -7.021 1.00 0.00 H new ATOM 0 HA THR A 126 7.582 6.017 -6.361 1.00 0.00 H new ATOM 0 HB THR A 126 10.139 6.172 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 126 11.151 4.055 -6.187 1.00 0.00 H new ATOM 0 HG21 THR A 126 10.475 5.142 -4.286 1.00 0.00 H new ATOM 0 HG22 THR A 126 8.994 6.126 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 126 8.887 4.351 -4.434 1.00 0.00 H new ATOM 919 N ASN A 127 7.437 5.849 -9.193 1.00 0.00 N ATOM 920 CA ASN A 127 7.501 6.408 -10.539 1.00 0.00 C ATOM 921 C ASN A 127 6.108 6.512 -11.155 1.00 0.00 C ATOM 922 O ASN A 127 5.716 7.567 -11.653 1.00 0.00 O ATOM 923 CB ASN A 127 8.398 5.544 -11.430 1.00 0.00 C ATOM 924 CG ASN A 127 9.871 5.715 -11.111 1.00 0.00 C ATOM 925 OD1 ASN A 127 10.387 4.868 -10.228 1.00 0.00 O flip ATOM 926 ND2 ASN A 127 10.537 6.597 -11.653 1.00 0.00 N flip ATOM 0 H ASN A 127 6.579 5.336 -8.990 1.00 0.00 H new ATOM 0 HA ASN A 127 7.923 7.410 -10.468 1.00 0.00 H new ATOM 0 HB2 ASN A 127 8.123 4.496 -11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 127 8.223 5.802 -12.475 1.00 0.00 H new ATOM 0 HD21 ASN A 127 10.099 7.226 -12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 127 11.527 6.699 -11.429 1.00 0.00 H new ATOM 933 N HIS A 128 5.366 5.409 -11.122 1.00 0.00 N ATOM 934 CA HIS A 128 4.018 5.372 -11.683 1.00 0.00 C ATOM 935 C HIS A 128 3.021 6.064 -10.760 1.00 0.00 C ATOM 936 O HIS A 128 3.258 6.191 -9.559 1.00 0.00 O ATOM 937 CB HIS A 128 3.573 3.925 -11.919 1.00 0.00 C ATOM 938 CG HIS A 128 4.683 3.011 -12.343 1.00 0.00 C ATOM 939 ND1 HIS A 128 5.407 3.194 -13.502 1.00 0.00 N ATOM 940 CD2 HIS A 128 5.191 1.903 -11.755 1.00 0.00 C ATOM 941 CE1 HIS A 128 6.312 2.237 -13.609 1.00 0.00 C ATOM 942 NE2 HIS A 128 6.202 1.441 -12.562 1.00 0.00 N ATOM 0 H HIS A 128 5.675 4.528 -10.712 1.00 0.00 H new ATOM 0 HA HIS A 128 4.042 5.902 -12.635 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.127 3.538 -11.003 1.00 0.00 H new ATOM 0 HB3 HIS A 128 2.795 3.914 -12.682 1.00 0.00 H new ATOM 0 HD2 HIS A 128 4.863 1.464 -10.825 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.021 2.125 -14.416 1.00 0.00 H new ATOM 0 HE2 HIS A 128 6.775 0.617 -12.381 1.00 0.00 H new ATOM 951 N SER A 129 1.898 6.497 -11.327 1.00 0.00 N ATOM 952 CA SER A 129 0.861 7.161 -10.549 1.00 0.00 C ATOM 953 C SER A 129 0.240 6.188 -9.561 1.00 0.00 C ATOM 954 O SER A 129 0.291 4.975 -9.759 1.00 0.00 O ATOM 955 CB SER A 129 -0.226 7.722 -11.463 1.00 0.00 C ATOM 956 OG SER A 129 0.335 8.349 -12.603 1.00 0.00 O ATOM 0 H SER A 129 1.685 6.399 -12.320 1.00 0.00 H new ATOM 0 HA SER A 129 1.323 7.984 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.891 6.918 -11.778 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.833 8.440 -10.912 1.00 0.00 H new ATOM 0 HG SER A 129 -0.383 8.697 -13.171 1.00 0.00 H new ATOM 962 N VAL A 130 -0.347 6.719 -8.497 1.00 0.00 N ATOM 963 CA VAL A 130 -0.967 5.880 -7.485 1.00 0.00 C ATOM 964 C VAL A 130 -2.072 5.012 -8.076 1.00 0.00 C ATOM 965 O VAL A 130 -2.225 3.855 -7.692 1.00 0.00 O ATOM 966 CB VAL A 130 -1.530 6.719 -6.324 1.00 0.00 C ATOM 967 CG1 VAL A 130 -2.560 7.717 -6.830 1.00 0.00 C ATOM 968 CG2 VAL A 130 -2.125 5.820 -5.248 1.00 0.00 C ATOM 0 H VAL A 130 -0.406 7.721 -8.314 1.00 0.00 H new ATOM 0 HA VAL A 130 -0.184 5.228 -7.097 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.708 7.280 -5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -2.945 8.299 -5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -2.094 8.386 -7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.381 7.182 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.517 6.434 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.932 5.225 -5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -1.352 5.157 -4.860 1.00 0.00 H new ATOM 978 N ASP A 131 -2.832 5.562 -9.017 1.00 0.00 N ATOM 979 CA ASP A 131 -3.906 4.807 -9.654 1.00 0.00 C ATOM 980 C ASP A 131 -3.337 3.584 -10.358 1.00 0.00 C ATOM 981 O ASP A 131 -3.970 2.529 -10.406 1.00 0.00 O ATOM 982 CB ASP A 131 -4.662 5.687 -10.652 1.00 0.00 C ATOM 983 CG ASP A 131 -6.154 5.415 -10.647 1.00 0.00 C ATOM 984 OD1 ASP A 131 -6.546 4.255 -10.407 1.00 0.00 O ATOM 985 OD2 ASP A 131 -6.931 6.364 -10.886 1.00 0.00 O ATOM 0 H ASP A 131 -2.726 6.519 -9.354 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.605 4.479 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.486 6.736 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.268 5.517 -11.654 1.00 0.00 H new ATOM 990 N GLN A 132 -2.128 3.730 -10.886 1.00 0.00 N ATOM 991 CA GLN A 132 -1.461 2.634 -11.570 1.00 0.00 C ATOM 992 C GLN A 132 -1.116 1.531 -10.578 1.00 0.00 C ATOM 993 O GLN A 132 -1.270 0.348 -10.873 1.00 0.00 O ATOM 994 CB GLN A 132 -0.191 3.130 -12.264 1.00 0.00 C ATOM 995 CG GLN A 132 -0.454 4.170 -13.340 1.00 0.00 C ATOM 996 CD GLN A 132 0.427 3.981 -14.560 1.00 0.00 C ATOM 997 OE1 GLN A 132 0.666 2.856 -15.000 1.00 0.00 O ATOM 998 NE2 GLN A 132 0.915 5.085 -15.115 1.00 0.00 N ATOM 0 H GLN A 132 -1.591 4.597 -10.853 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.137 2.234 -12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.480 3.554 -11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.325 2.280 -12.710 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.501 4.120 -13.641 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -0.288 5.165 -12.927 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.691 5.997 -14.718 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.513 5.020 -15.939 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.652 1.933 -9.396 1.00 0.00 N ATOM 1008 CA LEU A 133 -0.287 0.979 -8.355 1.00 0.00 C ATOM 1009 C LEU A 133 -1.523 0.331 -7.751 1.00 0.00 C ATOM 1010 O LEU A 133 -1.578 -0.888 -7.599 1.00 0.00 O ATOM 1011 CB LEU A 133 0.511 1.658 -7.253 1.00 0.00 C ATOM 1012 CG LEU A 133 1.936 2.045 -7.620 1.00 0.00 C ATOM 1013 CD1 LEU A 133 2.630 0.928 -8.388 1.00 0.00 C ATOM 1014 CD2 LEU A 133 1.916 3.319 -8.427 1.00 0.00 C ATOM 0 H LEU A 133 -0.521 2.911 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 133 0.328 0.209 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.023 2.556 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.544 0.993 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 133 2.503 2.209 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.646 1.234 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.662 0.029 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.079 0.721 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.936 3.598 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.335 3.165 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.463 4.116 -7.838 1.00 0.00 H new ATOM 1026 N GLN A 134 -2.519 1.151 -7.412 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.759 0.644 -6.835 1.00 0.00 C ATOM 1028 C GLN A 134 -4.228 -0.561 -7.636 1.00 0.00 C ATOM 1029 O GLN A 134 -4.489 -1.633 -7.087 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.836 1.731 -6.829 1.00 0.00 C ATOM 1031 CG GLN A 134 -4.582 2.837 -5.815 1.00 0.00 C ATOM 1032 CD GLN A 134 -5.296 4.127 -6.169 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -6.006 4.202 -7.171 1.00 0.00 O ATOM 1034 NE2 GLN A 134 -5.112 5.153 -5.345 1.00 0.00 N ATOM 0 H GLN A 134 -2.489 2.164 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.577 0.345 -5.803 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.902 2.171 -7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.802 1.272 -6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.908 2.504 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -3.510 3.025 -5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -4.515 5.048 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.568 6.046 -5.533 1.00 0.00 H new ATOM 1043 N LYS A 135 -4.284 -0.386 -8.951 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.668 -1.470 -9.834 1.00 0.00 C ATOM 1045 C LYS A 135 -3.528 -2.483 -9.906 1.00 0.00 C ATOM 1046 O LYS A 135 -3.758 -3.684 -10.037 1.00 0.00 O ATOM 1047 CB LYS A 135 -5.008 -0.940 -11.226 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.320 -2.037 -12.227 1.00 0.00 C ATOM 1049 CD LYS A 135 -4.101 -2.373 -13.067 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.479 -2.658 -14.512 1.00 0.00 C ATOM 1051 NZ LYS A 135 -4.848 -4.085 -14.719 1.00 0.00 N ATOM 0 H LYS A 135 -4.069 0.492 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.560 -1.957 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -5.865 -0.270 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.171 -0.348 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -5.659 -2.929 -11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.137 -1.720 -12.876 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.394 -1.544 -13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.595 -3.241 -12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -5.315 -2.021 -14.801 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -3.643 -2.401 -15.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.099 -4.237 -15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -4.042 -4.692 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.662 -4.324 -14.117 1.00 0.00 H new ATOM 1065 N ALA A 136 -2.291 -1.985 -9.793 1.00 0.00 N ATOM 1066 CA ALA A 136 -1.115 -2.848 -9.816 1.00 0.00 C ATOM 1067 C ALA A 136 -1.185 -3.863 -8.684 1.00 0.00 C ATOM 1068 O ALA A 136 -0.693 -4.986 -8.804 1.00 0.00 O ATOM 1069 CB ALA A 136 0.154 -2.020 -9.696 1.00 0.00 C ATOM 0 H ALA A 136 -2.084 -0.992 -9.685 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.095 -3.380 -10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.022 -2.679 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.212 -1.320 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 136 0.140 -1.466 -8.757 1.00 0.00 H new ATOM 1075 N MET A 137 -1.818 -3.460 -7.588 1.00 0.00 N ATOM 1076 CA MET A 137 -1.980 -4.331 -6.438 1.00 0.00 C ATOM 1077 C MET A 137 -3.034 -5.377 -6.760 1.00 0.00 C ATOM 1078 O MET A 137 -2.826 -6.574 -6.564 1.00 0.00 O ATOM 1079 CB MET A 137 -2.391 -3.525 -5.203 1.00 0.00 C ATOM 1080 CG MET A 137 -1.595 -2.243 -5.022 1.00 0.00 C ATOM 1081 SD MET A 137 -1.329 -1.829 -3.287 1.00 0.00 S ATOM 1082 CE MET A 137 -2.367 -0.378 -3.122 1.00 0.00 C ATOM 0 H MET A 137 -2.227 -2.532 -7.475 1.00 0.00 H new ATOM 0 HA MET A 137 -1.031 -4.820 -6.218 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.450 -3.278 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 137 -2.269 -4.147 -4.316 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.630 -2.346 -5.519 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.120 -1.422 -5.511 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.309 -0.003 -2.100 1.00 0.00 H new ATOM 0 HE2 MET A 137 -2.025 0.394 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 137 -3.399 -0.641 -3.354 1.00 0.00 H new ATOM 1092 N LYS A 138 -4.160 -4.907 -7.291 1.00 0.00 N ATOM 1093 CA LYS A 138 -5.247 -5.793 -7.686 1.00 0.00 C ATOM 1094 C LYS A 138 -4.795 -6.686 -8.836 1.00 0.00 C ATOM 1095 O LYS A 138 -5.343 -7.765 -9.059 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.470 -4.974 -8.111 1.00 0.00 C ATOM 1097 CG LYS A 138 -6.909 -3.956 -7.072 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.148 -3.200 -7.524 1.00 0.00 C ATOM 1099 CE LYS A 138 -8.286 -1.869 -6.802 1.00 0.00 C ATOM 1100 NZ LYS A 138 -8.081 -0.715 -7.719 1.00 0.00 N ATOM 0 H LYS A 138 -4.342 -3.917 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.520 -6.416 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.244 -4.456 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.298 -5.652 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.114 -4.462 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.099 -3.251 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.098 -3.028 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -9.034 -3.808 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.276 -1.802 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -7.561 -1.820 -5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -8.184 0.173 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -7.127 -0.764 -8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -8.789 -0.747 -8.480 1.00 0.00 H new ATOM 1114 N GLU A 139 -3.779 -6.218 -9.561 1.00 0.00 N ATOM 1115 CA GLU A 139 -3.223 -6.950 -10.691 1.00 0.00 C ATOM 1116 C GLU A 139 -2.861 -8.380 -10.298 1.00 0.00 C ATOM 1117 O GLU A 139 -3.401 -9.343 -10.844 1.00 0.00 O ATOM 1118 CB GLU A 139 -1.984 -6.221 -11.213 1.00 0.00 C ATOM 1119 CG GLU A 139 -2.111 -5.757 -12.652 1.00 0.00 C ATOM 1120 CD GLU A 139 -0.845 -5.985 -13.454 1.00 0.00 C ATOM 1121 OE1 GLU A 139 -0.693 -7.088 -14.021 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -0.006 -5.063 -13.515 1.00 0.00 O ATOM 0 H GLU A 139 -3.322 -5.324 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.978 -6.998 -11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.787 -5.357 -10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.122 -6.882 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.938 -6.284 -13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.359 -4.696 -12.667 1.00 0.00 H new ATOM 1129 N THR A 140 -1.940 -8.507 -9.349 1.00 0.00 N ATOM 1130 CA THR A 140 -1.496 -9.815 -8.878 1.00 0.00 C ATOM 1131 C THR A 140 -2.632 -10.563 -8.187 1.00 0.00 C ATOM 1132 O THR A 140 -3.621 -9.962 -7.768 1.00 0.00 O ATOM 1133 CB THR A 140 -0.308 -9.667 -7.926 1.00 0.00 C ATOM 1134 OG1 THR A 140 0.190 -8.340 -7.944 1.00 0.00 O ATOM 1135 CG2 THR A 140 0.841 -10.592 -8.261 1.00 0.00 C ATOM 0 H THR A 140 -1.485 -7.718 -8.889 1.00 0.00 H new ATOM 0 HA THR A 140 -1.182 -10.395 -9.746 1.00 0.00 H new ATOM 0 HB THR A 140 -0.693 -9.929 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 140 0.776 -8.200 -7.171 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.652 -10.438 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 140 0.503 -11.627 -8.207 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.198 -10.379 -9.269 1.00 0.00 H new ATOM 1143 N LYS A 141 -2.481 -11.882 -8.078 1.00 0.00 N ATOM 1144 CA LYS A 141 -3.489 -12.733 -7.444 1.00 0.00 C ATOM 1145 C LYS A 141 -4.055 -12.094 -6.177 1.00 0.00 C ATOM 1146 O LYS A 141 -5.265 -11.897 -6.062 1.00 0.00 O ATOM 1147 CB LYS A 141 -2.894 -14.105 -7.114 1.00 0.00 C ATOM 1148 CG LYS A 141 -1.495 -14.041 -6.518 1.00 0.00 C ATOM 1149 CD LYS A 141 -0.541 -14.989 -7.228 1.00 0.00 C ATOM 1150 CE LYS A 141 0.909 -14.586 -7.014 1.00 0.00 C ATOM 1151 NZ LYS A 141 1.802 -15.146 -8.066 1.00 0.00 N ATOM 0 H LYS A 141 -1.665 -12.388 -8.423 1.00 0.00 H new ATOM 0 HA LYS A 141 -4.308 -12.853 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.554 -14.618 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.864 -14.706 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.115 -13.022 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.538 -14.293 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.695 -16.004 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.763 -14.998 -8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.987 -13.499 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 141 1.241 -14.931 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 2.782 -14.848 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 1.747 -16.184 -8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 1.501 -14.797 -8.998 1.00 0.00 H new ATOM 1165 N GLY A 142 -3.180 -11.771 -5.229 1.00 0.00 N ATOM 1166 CA GLY A 142 -3.631 -11.159 -3.992 1.00 0.00 C ATOM 1167 C GLY A 142 -2.500 -10.868 -3.023 1.00 0.00 C ATOM 1168 O GLY A 142 -2.501 -9.835 -2.356 1.00 0.00 O ATOM 0 H GLY A 142 -2.173 -11.921 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.152 -10.230 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.353 -11.818 -3.510 1.00 0.00 H new ATOM 1172 N MET A 143 -1.539 -11.781 -2.936 1.00 0.00 N ATOM 1173 CA MET A 143 -0.408 -11.609 -2.032 1.00 0.00 C ATOM 1174 C MET A 143 0.449 -10.417 -2.447 1.00 0.00 C ATOM 1175 O MET A 143 1.188 -10.485 -3.429 1.00 0.00 O ATOM 1176 CB MET A 143 0.446 -12.878 -2.000 1.00 0.00 C ATOM 1177 CG MET A 143 0.994 -13.280 -3.360 1.00 0.00 C ATOM 1178 SD MET A 143 1.575 -14.986 -3.396 1.00 0.00 S ATOM 1179 CE MET A 143 3.135 -14.793 -4.256 1.00 0.00 C ATOM 0 H MET A 143 -1.520 -12.645 -3.478 1.00 0.00 H new ATOM 0 HA MET A 143 -0.802 -11.419 -1.034 1.00 0.00 H new ATOM 0 HB2 MET A 143 1.278 -12.728 -1.313 1.00 0.00 H new ATOM 0 HB3 MET A 143 -0.152 -13.698 -1.602 1.00 0.00 H new ATOM 0 HG2 MET A 143 0.218 -13.148 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 143 1.815 -12.615 -3.628 1.00 0.00 H new ATOM 0 HE1 MET A 143 3.391 -15.726 -4.758 1.00 0.00 H new ATOM 0 HE2 MET A 143 3.047 -13.996 -4.994 1.00 0.00 H new ATOM 0 HE3 MET A 143 3.917 -14.540 -3.540 1.00 0.00 H new ATOM 1189 N ILE A 144 0.347 -9.322 -1.694 1.00 0.00 N ATOM 1190 CA ILE A 144 1.119 -8.121 -1.994 1.00 0.00 C ATOM 1191 C ILE A 144 2.058 -7.757 -0.854 1.00 0.00 C ATOM 1192 O ILE A 144 1.711 -7.889 0.320 1.00 0.00 O ATOM 1193 CB ILE A 144 0.210 -6.910 -2.293 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -0.763 -7.244 -3.419 1.00 0.00 C ATOM 1195 CG2 ILE A 144 1.044 -5.687 -2.655 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.086 -7.745 -4.677 1.00 0.00 C ATOM 0 H ILE A 144 -0.259 -9.244 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 144 1.704 -8.355 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.362 -6.679 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.465 -8.000 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.346 -6.355 -3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.384 -4.845 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.702 -5.436 -1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.643 -5.904 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -0.840 -7.962 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 144 0.595 -6.981 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.474 -8.652 -4.452 1.00 0.00 H new ATOM 1208 N SER A 145 3.240 -7.282 -1.226 1.00 0.00 N ATOM 1209 CA SER A 145 4.260 -6.868 -0.267 1.00 0.00 C ATOM 1210 C SER A 145 4.623 -5.405 -0.495 1.00 0.00 C ATOM 1211 O SER A 145 5.379 -5.083 -1.409 1.00 0.00 O ATOM 1212 CB SER A 145 5.508 -7.740 -0.414 1.00 0.00 C ATOM 1213 OG SER A 145 6.613 -7.175 0.271 1.00 0.00 O ATOM 0 H SER A 145 3.520 -7.172 -2.201 1.00 0.00 H new ATOM 0 HA SER A 145 3.863 -6.986 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.306 -8.737 -0.023 1.00 0.00 H new ATOM 0 HB3 SER A 145 5.752 -7.855 -1.470 1.00 0.00 H new ATOM 0 HG SER A 145 7.396 -7.754 0.162 1.00 0.00 H new ATOM 1219 N LEU A 146 4.068 -4.522 0.325 1.00 0.00 N ATOM 1220 CA LEU A 146 4.323 -3.094 0.188 1.00 0.00 C ATOM 1221 C LEU A 146 5.497 -2.651 1.040 1.00 0.00 C ATOM 1222 O LEU A 146 5.540 -2.906 2.241 1.00 0.00 O ATOM 1223 CB LEU A 146 3.089 -2.287 0.586 1.00 0.00 C ATOM 1224 CG LEU A 146 1.800 -2.675 -0.139 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.784 -3.245 0.837 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.222 -1.475 -0.877 1.00 0.00 C ATOM 0 H LEU A 146 3.440 -4.769 1.090 1.00 0.00 H new ATOM 0 HA LEU A 146 4.562 -2.912 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 146 2.932 -2.398 1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.289 -1.232 0.400 1.00 0.00 H new ATOM 0 HG LEU A 146 2.037 -3.447 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -0.125 -3.514 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 146 1.198 -4.132 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.550 -2.498 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.305 -1.769 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.002 -0.681 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.945 -1.115 -1.609 1.00 0.00 H new ATOM 1238 N LYS A 147 6.437 -1.962 0.405 1.00 0.00 N ATOM 1239 CA LYS A 147 7.611 -1.454 1.098 1.00 0.00 C ATOM 1240 C LYS A 147 7.336 -0.047 1.610 1.00 0.00 C ATOM 1241 O LYS A 147 7.165 0.886 0.825 1.00 0.00 O ATOM 1242 CB LYS A 147 8.825 -1.452 0.169 1.00 0.00 C ATOM 1243 CG LYS A 147 9.382 -2.841 -0.106 1.00 0.00 C ATOM 1244 CD LYS A 147 10.810 -2.985 0.400 1.00 0.00 C ATOM 1245 CE LYS A 147 10.859 -3.737 1.719 1.00 0.00 C ATOM 1246 NZ LYS A 147 12.209 -4.311 1.980 1.00 0.00 N ATOM 0 H LYS A 147 6.408 -1.743 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 147 7.830 -2.106 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.548 -0.987 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.609 -0.836 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.749 -3.588 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.354 -3.039 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.409 -3.511 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 147 11.254 -1.998 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 147 10.587 -3.063 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.120 -4.538 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 12.236 -4.713 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 12.408 -5.059 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 12.926 -3.562 1.898 1.00 0.00 H new ATOM 1260 N VAL A 148 7.275 0.099 2.928 1.00 0.00 N ATOM 1261 CA VAL A 148 6.997 1.393 3.537 1.00 0.00 C ATOM 1262 C VAL A 148 8.142 1.843 4.432 1.00 0.00 C ATOM 1263 O VAL A 148 8.962 1.035 4.866 1.00 0.00 O ATOM 1264 CB VAL A 148 5.701 1.357 4.372 1.00 0.00 C ATOM 1265 CG1 VAL A 148 5.042 2.727 4.390 1.00 0.00 C ATOM 1266 CG2 VAL A 148 4.739 0.298 3.847 1.00 0.00 C ATOM 0 H VAL A 148 7.414 -0.661 3.594 1.00 0.00 H new ATOM 0 HA VAL A 148 6.878 2.102 2.718 1.00 0.00 H new ATOM 0 HB VAL A 148 5.964 1.088 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 148 4.129 2.684 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 148 5.726 3.454 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.798 3.027 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 148 3.834 0.295 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 148 4.480 0.522 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 148 5.213 -0.682 3.898 1.00 0.00 H new ATOM 1276 N ILE A 149 8.187 3.140 4.710 1.00 0.00 N ATOM 1277 CA ILE A 149 9.226 3.704 5.559 1.00 0.00 C ATOM 1278 C ILE A 149 8.649 4.130 6.910 1.00 0.00 C ATOM 1279 O ILE A 149 7.527 4.629 6.985 1.00 0.00 O ATOM 1280 CB ILE A 149 9.918 4.905 4.867 1.00 0.00 C ATOM 1281 CG1 ILE A 149 11.122 4.417 4.057 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.349 5.963 5.877 1.00 0.00 C ATOM 1283 CD1 ILE A 149 10.827 4.243 2.584 1.00 0.00 C ATOM 0 H ILE A 149 7.514 3.821 4.359 1.00 0.00 H new ATOM 0 HA ILE A 149 9.974 2.930 5.729 1.00 0.00 H new ATOM 0 HB ILE A 149 9.196 5.369 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 149 11.941 5.127 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 149 11.464 3.466 4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.830 6.790 5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.474 6.332 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 149 11.051 5.524 6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 149 11.724 3.895 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 149 10.030 3.511 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 149 10.514 5.197 2.160 1.00 0.00 H new ATOM 1295 N PRO A 150 9.415 3.936 7.998 1.00 0.00 N ATOM 1296 CA PRO A 150 8.981 4.300 9.349 1.00 0.00 C ATOM 1297 C PRO A 150 8.505 5.746 9.434 1.00 0.00 C ATOM 1298 O PRO A 150 9.067 6.635 8.796 1.00 0.00 O ATOM 1299 CB PRO A 150 10.238 4.098 10.211 1.00 0.00 C ATOM 1300 CG PRO A 150 11.365 3.933 9.246 1.00 0.00 C ATOM 1301 CD PRO A 150 10.762 3.351 8.003 1.00 0.00 C ATOM 0 HA PRO A 150 8.132 3.698 9.673 1.00 0.00 H new ATOM 0 HB2 PRO A 150 10.405 4.953 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 150 10.138 3.221 10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 150 11.843 4.890 9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 150 12.133 3.275 9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 150 11.326 3.625 7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 150 10.731 2.262 8.039 1.00 0.00 H new ATOM 1309 N ASN A 151 7.462 5.973 10.227 1.00 0.00 N ATOM 1310 CA ASN A 151 6.906 7.311 10.397 1.00 0.00 C ATOM 1311 C ASN A 151 7.691 8.098 11.441 1.00 0.00 C ATOM 1312 O ASN A 151 7.180 8.404 12.518 1.00 0.00 O ATOM 1313 CB ASN A 151 5.433 7.225 10.802 1.00 0.00 C ATOM 1314 CG ASN A 151 5.233 6.478 12.106 1.00 0.00 C ATOM 1315 OD1 ASN A 151 5.119 5.158 12.020 1.00 0.00 O flip ATOM 1316 ND2 ASN A 151 5.181 7.081 13.179 1.00 0.00 N flip ATOM 0 H ASN A 151 6.985 5.247 10.762 1.00 0.00 H new ATOM 0 HA ASN A 151 6.982 7.834 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 151 5.026 8.232 10.897 1.00 0.00 H new ATOM 0 HB3 ASN A 151 4.871 6.728 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 151 5.273 8.097 13.198 1.00 0.00 H new ATOM 0 HD22 ASN A 151 5.046 6.565 14.048 1.00 0.00 H new