USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 790 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 47 HIS : no HD1:sc= -7.25! C(o=-8.4!,f=-8.8!) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.17 K(o=-8.4,f=-12) USER MOD Single : A 0 SER N :NH3+ 155:sc= 0.0945 (180deg=-0.242) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0834 USER MOD Single : A 3 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.023) USER MOD Single : A 5 SER OG : rot -52:sc= 0.00307 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -123:sc= 1 USER MOD Single : A 13 THR OG1 : rot -45:sc= 0.441 USER MOD Single : A 15 GLN : amide:sc= -1.95 K(o=-2,f=-2.8!) USER MOD Single : A 16 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 19 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.29) USER MOD Single : A 22 SER OG : rot 180:sc= -0.649 USER MOD Single : A 31 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 38 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.273 (180deg=-1.45) USER MOD Single : A 54 THR OG1 : rot -76:sc= 0.158 USER MOD Single : A 55 ASN : amide:sc=-0.00722 K(o=-0.0072,f=-3.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -6.89! C(o=-9.1!,f=-6.9!) USER MOD Single : A 74 GLN : amide:sc= -0.831 X(o=-0.83,f=-0.81) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.0159 (180deg=-0.14) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 90 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.1) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 0 2.760 -2.342 -2.434 1.00 0.00 N ATOM 9 CA SER A 0 2.563 -2.661 -3.843 1.00 0.00 C ATOM 10 C SER A 0 3.343 -3.914 -4.230 1.00 0.00 C ATOM 11 O SER A 0 3.796 -4.050 -5.366 1.00 0.00 O ATOM 12 CB SER A 0 2.998 -1.485 -4.720 1.00 0.00 C ATOM 13 OG SER A 0 2.576 -0.252 -4.163 1.00 0.00 O ATOM 0 H1 SER A 0 2.602 -1.325 -2.283 1.00 0.00 H new ATOM 0 H2 SER A 0 2.087 -2.886 -1.857 1.00 0.00 H new ATOM 0 H3 SER A 0 3.732 -2.587 -2.155 1.00 0.00 H new ATOM 0 HA SER A 0 1.501 -2.851 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 0 4.083 -1.488 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.580 -1.598 -5.720 1.00 0.00 H new ATOM 0 HG SER A 0 2.867 0.484 -4.740 1.00 0.00 H new ATOM 19 N ALA A 1 3.495 -4.827 -3.276 1.00 0.00 N ATOM 20 CA ALA A 1 4.218 -6.070 -3.517 1.00 0.00 C ATOM 21 C ALA A 1 3.276 -7.169 -3.997 1.00 0.00 C ATOM 22 O ALA A 1 3.351 -7.606 -5.145 1.00 0.00 O ATOM 23 CB ALA A 1 4.945 -6.510 -2.255 1.00 0.00 C ATOM 0 H ALA A 1 3.127 -4.729 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 1 4.952 -5.888 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.481 -7.439 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.654 -5.738 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.222 -6.668 -1.455 1.00 0.00 H new ATOM 29 N ARG A 2 2.390 -7.611 -3.111 1.00 0.00 N ATOM 30 CA ARG A 2 1.434 -8.661 -3.444 1.00 0.00 C ATOM 31 C ARG A 2 0.581 -8.258 -4.643 1.00 0.00 C ATOM 32 O ARG A 2 -0.013 -9.107 -5.307 1.00 0.00 O ATOM 33 CB ARG A 2 0.536 -8.962 -2.243 1.00 0.00 C ATOM 34 CG ARG A 2 -0.541 -9.996 -2.532 1.00 0.00 C ATOM 35 CD ARG A 2 0.058 -11.293 -3.054 1.00 0.00 C ATOM 36 NE ARG A 2 -0.567 -12.466 -2.449 1.00 0.00 N ATOM 37 CZ ARG A 2 -0.035 -13.683 -2.485 1.00 0.00 C ATOM 38 NH1 ARG A 2 1.125 -13.885 -3.093 1.00 0.00 N ATOM 39 NH2 ARG A 2 -0.664 -14.700 -1.911 1.00 0.00 N ATOM 0 H ARG A 2 2.314 -7.259 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 2 1.994 -9.559 -3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.154 -9.314 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.061 -8.038 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.108 -10.196 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.243 -9.597 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.060 -11.337 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.129 -11.306 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.461 -12.344 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.612 -13.105 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.531 -14.820 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.557 -14.548 -1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.255 -15.634 -1.939 1.00 0.00 H new ATOM 53 N GLN A 3 0.524 -6.958 -4.913 1.00 0.00 N ATOM 54 CA GLN A 3 -0.258 -6.443 -6.031 1.00 0.00 C ATOM 55 C GLN A 3 0.344 -6.880 -7.363 1.00 0.00 C ATOM 56 O GLN A 3 -0.360 -7.380 -8.240 1.00 0.00 O ATOM 57 CB GLN A 3 -0.334 -4.917 -5.968 1.00 0.00 C ATOM 58 CG GLN A 3 -0.530 -4.375 -4.561 1.00 0.00 C ATOM 59 CD GLN A 3 -1.721 -4.997 -3.858 1.00 0.00 C ATOM 60 OE1 GLN A 3 -2.867 -4.800 -4.261 1.00 0.00 O ATOM 61 NE2 GLN A 3 -1.454 -5.753 -2.799 1.00 0.00 N ATOM 0 H GLN A 3 1.010 -6.242 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.265 -6.853 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.582 -4.498 -6.385 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.156 -4.576 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.370 -4.560 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.664 -3.294 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.488 -5.889 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.215 -6.197 -2.285 1.00 0.00 H new ATOM 70 N LEU A 4 1.651 -6.687 -7.507 1.00 0.00 N ATOM 71 CA LEU A 4 2.348 -7.060 -8.733 1.00 0.00 C ATOM 72 C LEU A 4 2.916 -8.472 -8.628 1.00 0.00 C ATOM 73 O LEU A 4 3.399 -9.033 -9.611 1.00 0.00 O ATOM 74 CB LEU A 4 3.474 -6.066 -9.025 1.00 0.00 C ATOM 75 CG LEU A 4 3.088 -4.841 -9.854 1.00 0.00 C ATOM 76 CD1 LEU A 4 2.567 -5.261 -11.219 1.00 0.00 C ATOM 77 CD2 LEU A 4 2.050 -4.005 -9.119 1.00 0.00 C ATOM 0 H LEU A 4 2.249 -6.275 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 4 1.629 -7.037 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.884 -5.723 -8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.273 -6.595 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 4 3.979 -4.231 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.298 -4.375 -11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.341 -5.816 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.688 -5.894 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.787 -3.137 -9.724 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.159 -4.606 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.460 -3.672 -8.166 1.00 0.00 H new ATOM 89 N SER A 5 2.852 -9.042 -7.429 1.00 0.00 N ATOM 90 CA SER A 5 3.361 -10.389 -7.194 1.00 0.00 C ATOM 91 C SER A 5 2.744 -11.381 -8.176 1.00 0.00 C ATOM 92 O SER A 5 3.324 -12.428 -8.465 1.00 0.00 O ATOM 93 CB SER A 5 3.067 -10.825 -5.758 1.00 0.00 C ATOM 94 OG SER A 5 1.679 -11.037 -5.563 1.00 0.00 O ATOM 0 H SER A 5 2.453 -8.592 -6.605 1.00 0.00 H new ATOM 0 HA SER A 5 4.440 -10.375 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.613 -11.741 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.423 -10.064 -5.064 1.00 0.00 H new ATOM 0 HG SER A 5 1.182 -10.248 -5.864 1.00 0.00 H new ATOM 100 N LYS A 6 1.564 -11.044 -8.685 1.00 0.00 N ATOM 101 CA LYS A 6 0.867 -11.902 -9.635 1.00 0.00 C ATOM 102 C LYS A 6 1.802 -12.345 -10.756 1.00 0.00 C ATOM 103 O LYS A 6 1.674 -13.450 -11.285 1.00 0.00 O ATOM 104 CB LYS A 6 -0.342 -11.171 -10.223 1.00 0.00 C ATOM 105 CG LYS A 6 -1.150 -12.014 -11.194 1.00 0.00 C ATOM 106 CD LYS A 6 -2.407 -11.291 -11.648 1.00 0.00 C ATOM 107 CE LYS A 6 -3.615 -11.702 -10.821 1.00 0.00 C ATOM 108 NZ LYS A 6 -4.268 -12.926 -11.362 1.00 0.00 N ATOM 0 H LYS A 6 1.070 -10.182 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 6 0.523 -12.788 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.991 -10.847 -9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.001 -10.272 -10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.537 -12.260 -12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.423 -12.957 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.258 -10.214 -11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.594 -11.509 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.306 -11.880 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.336 -10.885 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.087 -13.173 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.586 -12.748 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.588 -13.713 -11.358 1.00 0.00 H new ATOM 122 N LEU A 7 2.742 -11.478 -11.113 1.00 0.00 N ATOM 123 CA LEU A 7 3.700 -11.780 -12.171 1.00 0.00 C ATOM 124 C LEU A 7 4.979 -12.377 -11.593 1.00 0.00 C ATOM 125 O LEU A 7 5.700 -13.107 -12.273 1.00 0.00 O ATOM 126 CB LEU A 7 4.028 -10.515 -12.966 1.00 0.00 C ATOM 127 CG LEU A 7 5.024 -10.683 -14.114 1.00 0.00 C ATOM 128 CD1 LEU A 7 6.452 -10.629 -13.595 1.00 0.00 C ATOM 129 CD2 LEU A 7 4.772 -11.991 -14.851 1.00 0.00 C ATOM 0 H LEU A 7 2.862 -10.560 -10.686 1.00 0.00 H new ATOM 0 HA LEU A 7 3.248 -12.514 -12.838 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.099 -10.115 -13.373 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.422 -9.768 -12.276 1.00 0.00 H new ATOM 0 HG LEU A 7 4.883 -9.860 -14.815 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.146 -10.750 -14.427 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.628 -9.667 -13.113 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.607 -11.431 -12.873 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.490 -12.094 -15.665 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.885 -12.826 -14.159 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.761 -11.991 -15.257 1.00 0.00 H new ATOM 141 N LYS A 8 5.255 -12.062 -10.331 1.00 0.00 N ATOM 142 CA LYS A 8 6.445 -12.569 -9.658 1.00 0.00 C ATOM 143 C LYS A 8 6.565 -14.080 -9.830 1.00 0.00 C ATOM 144 O LYS A 8 7.533 -14.574 -10.409 1.00 0.00 O ATOM 145 CB LYS A 8 6.404 -12.216 -8.170 1.00 0.00 C ATOM 146 CG LYS A 8 7.625 -12.688 -7.399 1.00 0.00 C ATOM 147 CD LYS A 8 7.232 -13.462 -6.152 1.00 0.00 C ATOM 148 CE LYS A 8 7.245 -12.575 -4.917 1.00 0.00 C ATOM 149 NZ LYS A 8 7.209 -13.372 -3.660 1.00 0.00 N ATOM 0 H LYS A 8 4.670 -11.458 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 8 7.317 -12.099 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.313 -11.135 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.511 -12.656 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.240 -13.318 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.234 -11.829 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.237 -13.887 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.919 -14.296 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.140 -11.953 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.388 -11.902 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.219 -12.730 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.343 -13.947 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.040 -13.996 -3.621 1.00 0.00 H new ATOM 163 N ARG A 9 5.575 -14.809 -9.325 1.00 0.00 N ATOM 164 CA ARG A 9 5.570 -16.264 -9.423 1.00 0.00 C ATOM 165 C ARG A 9 5.863 -16.713 -10.851 1.00 0.00 C ATOM 166 O ARG A 9 6.827 -17.438 -11.100 1.00 0.00 O ATOM 167 CB ARG A 9 4.221 -16.822 -8.967 1.00 0.00 C ATOM 168 CG ARG A 9 3.768 -16.293 -7.616 1.00 0.00 C ATOM 169 CD ARG A 9 2.525 -17.017 -7.123 1.00 0.00 C ATOM 170 NE ARG A 9 2.724 -18.462 -7.055 1.00 0.00 N ATOM 171 CZ ARG A 9 1.729 -19.337 -6.949 1.00 0.00 C ATOM 172 NH1 ARG A 9 0.473 -18.915 -6.901 1.00 0.00 N ATOM 173 NH2 ARG A 9 1.991 -20.637 -6.893 1.00 0.00 N ATOM 0 H ARG A 9 4.766 -14.416 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 9 6.354 -16.650 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.466 -16.579 -9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.285 -17.909 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.572 -16.412 -6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.562 -15.225 -7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.254 -16.642 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.690 -16.797 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 9 3.679 -18.819 -7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.268 -17.917 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.289 -19.589 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.956 -20.965 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.227 -21.308 -6.812 1.00 0.00 H new ATOM 187 N PHE A 10 5.024 -16.279 -11.786 1.00 0.00 N ATOM 188 CA PHE A 10 5.192 -16.638 -13.189 1.00 0.00 C ATOM 189 C PHE A 10 6.624 -16.384 -13.649 1.00 0.00 C ATOM 190 O PHE A 10 7.254 -17.246 -14.264 1.00 0.00 O ATOM 191 CB PHE A 10 4.216 -15.844 -14.061 1.00 0.00 C ATOM 192 CG PHE A 10 4.464 -16.000 -15.534 1.00 0.00 C ATOM 193 CD1 PHE A 10 4.997 -17.175 -16.039 1.00 0.00 C ATOM 194 CD2 PHE A 10 4.164 -14.973 -16.413 1.00 0.00 C ATOM 195 CE1 PHE A 10 5.227 -17.321 -17.394 1.00 0.00 C ATOM 196 CE2 PHE A 10 4.391 -15.113 -17.770 1.00 0.00 C ATOM 197 CZ PHE A 10 4.922 -16.290 -18.260 1.00 0.00 C ATOM 0 H PHE A 10 4.221 -15.678 -11.597 1.00 0.00 H new ATOM 0 HA PHE A 10 4.980 -17.702 -13.293 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.198 -16.163 -13.836 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.284 -14.788 -13.799 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.235 -17.986 -15.366 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.748 -14.051 -16.034 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.645 -18.241 -17.775 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.154 -14.304 -18.445 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.098 -16.404 -19.319 1.00 0.00 H new ATOM 207 N LEU A 11 7.134 -15.195 -13.346 1.00 0.00 N ATOM 208 CA LEU A 11 8.492 -14.825 -13.728 1.00 0.00 C ATOM 209 C LEU A 11 9.505 -15.815 -13.162 1.00 0.00 C ATOM 210 O LEU A 11 10.356 -16.333 -13.886 1.00 0.00 O ATOM 211 CB LEU A 11 8.814 -13.412 -13.238 1.00 0.00 C ATOM 212 CG LEU A 11 9.550 -12.509 -14.229 1.00 0.00 C ATOM 213 CD1 LEU A 11 10.966 -13.012 -14.459 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.789 -12.431 -15.544 1.00 0.00 C ATOM 0 H LEU A 11 6.627 -14.471 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 11 8.557 -14.849 -14.816 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.880 -12.925 -12.958 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.416 -13.491 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 11 9.608 -11.506 -13.805 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.474 -12.357 -15.167 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.509 -13.016 -13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.932 -14.024 -14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.327 -11.784 -16.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.700 -13.429 -15.973 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.794 -12.023 -15.365 1.00 0.00 H new ATOM 226 N THR A 12 9.408 -16.075 -11.862 1.00 0.00 N ATOM 227 CA THR A 12 10.314 -17.004 -11.198 1.00 0.00 C ATOM 228 C THR A 12 10.351 -18.346 -11.919 1.00 0.00 C ATOM 229 O THR A 12 11.422 -18.855 -12.254 1.00 0.00 O ATOM 230 CB THR A 12 9.908 -17.234 -9.730 1.00 0.00 C ATOM 231 OG1 THR A 12 9.359 -16.031 -9.180 1.00 0.00 O ATOM 232 CG2 THR A 12 11.103 -17.677 -8.901 1.00 0.00 C ATOM 0 H THR A 12 8.711 -15.655 -11.248 1.00 0.00 H new ATOM 0 HA THR A 12 11.305 -16.552 -11.226 1.00 0.00 H new ATOM 0 HB THR A 12 9.156 -18.022 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.867 -15.775 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.792 -17.833 -7.868 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.501 -18.608 -9.305 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.875 -16.908 -8.935 1.00 0.00 H new ATOM 240 N THR A 13 9.175 -18.918 -12.158 1.00 0.00 N ATOM 241 CA THR A 13 9.073 -20.202 -12.839 1.00 0.00 C ATOM 242 C THR A 13 9.476 -20.080 -14.304 1.00 0.00 C ATOM 243 O THR A 13 9.985 -21.031 -14.900 1.00 0.00 O ATOM 244 CB THR A 13 7.643 -20.769 -12.758 1.00 0.00 C ATOM 245 OG1 THR A 13 6.822 -20.176 -13.771 1.00 0.00 O ATOM 246 CG2 THR A 13 7.034 -20.507 -11.389 1.00 0.00 C ATOM 0 H THR A 13 8.279 -18.511 -11.889 1.00 0.00 H new ATOM 0 HA THR A 13 9.756 -20.884 -12.332 1.00 0.00 H new ATOM 0 HB THR A 13 7.694 -21.846 -12.916 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.982 -19.209 -13.797 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.024 -20.916 -11.356 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.644 -20.984 -10.622 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.996 -19.433 -11.207 1.00 0.00 H new ATOM 254 N LEU A 14 9.248 -18.905 -14.881 1.00 0.00 N ATOM 255 CA LEU A 14 9.589 -18.659 -16.277 1.00 0.00 C ATOM 256 C LEU A 14 11.100 -18.674 -16.480 1.00 0.00 C ATOM 257 O LEU A 14 11.603 -19.271 -17.431 1.00 0.00 O ATOM 258 CB LEU A 14 9.015 -17.317 -16.734 1.00 0.00 C ATOM 259 CG LEU A 14 9.516 -16.796 -18.082 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.346 -16.478 -18.999 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.392 -15.567 -17.886 1.00 0.00 C ATOM 0 H LEU A 14 8.828 -18.108 -14.403 1.00 0.00 H new ATOM 0 HA LEU A 14 9.153 -19.457 -16.877 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.930 -17.406 -16.782 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.240 -16.570 -15.972 1.00 0.00 H new ATOM 0 HG LEU A 14 10.117 -17.575 -18.551 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.722 -16.109 -19.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.758 -17.381 -19.165 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.718 -15.716 -18.537 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.740 -15.210 -18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.815 -14.783 -17.396 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.250 -15.827 -17.266 1.00 0.00 H new ATOM 273 N GLN A 15 11.819 -18.015 -15.577 1.00 0.00 N ATOM 274 CA GLN A 15 13.274 -17.954 -15.656 1.00 0.00 C ATOM 275 C GLN A 15 13.903 -19.234 -15.116 1.00 0.00 C ATOM 276 O GLN A 15 14.979 -19.640 -15.554 1.00 0.00 O ATOM 277 CB GLN A 15 13.798 -16.746 -14.876 1.00 0.00 C ATOM 278 CG GLN A 15 13.944 -17.002 -13.385 1.00 0.00 C ATOM 279 CD GLN A 15 13.954 -15.722 -12.572 1.00 0.00 C ATOM 280 OE1 GLN A 15 14.990 -15.316 -12.046 1.00 0.00 O ATOM 281 NE2 GLN A 15 12.797 -15.079 -12.465 1.00 0.00 N ATOM 0 H GLN A 15 11.418 -17.516 -14.783 1.00 0.00 H new ATOM 0 HA GLN A 15 13.551 -17.849 -16.705 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.766 -16.454 -15.283 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.121 -15.905 -15.027 1.00 0.00 H new ATOM 0 HG2 GLN A 15 13.125 -17.636 -13.047 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.868 -17.551 -13.203 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.963 -15.452 -12.918 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.743 -14.212 -11.930 1.00 0.00 H new ATOM 290 N GLN A 16 13.224 -19.865 -14.163 1.00 0.00 N ATOM 291 CA GLN A 16 13.717 -21.099 -13.564 1.00 0.00 C ATOM 292 C GLN A 16 13.540 -22.276 -14.517 1.00 0.00 C ATOM 293 O GLN A 16 14.459 -23.070 -14.717 1.00 0.00 O ATOM 294 CB GLN A 16 12.988 -21.378 -12.248 1.00 0.00 C ATOM 295 CG GLN A 16 13.010 -22.843 -11.840 1.00 0.00 C ATOM 296 CD GLN A 16 14.403 -23.439 -11.880 1.00 0.00 C ATOM 297 OE1 GLN A 16 14.618 -24.507 -12.455 1.00 0.00 O ATOM 298 NE2 GLN A 16 15.360 -22.751 -11.268 1.00 0.00 N ATOM 0 H GLN A 16 12.331 -19.542 -13.790 1.00 0.00 H new ATOM 0 HA GLN A 16 14.781 -20.976 -13.363 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.443 -20.782 -11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.952 -21.050 -12.339 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.606 -22.942 -10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.357 -23.411 -12.503 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.138 -21.870 -10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.317 -23.103 -11.262 1.00 0.00 H new ATOM 307 N PHE A 17 12.352 -22.383 -15.103 1.00 0.00 N ATOM 308 CA PHE A 17 12.053 -23.465 -16.034 1.00 0.00 C ATOM 309 C PHE A 17 12.389 -23.057 -17.466 1.00 0.00 C ATOM 310 O PHE A 17 12.367 -23.882 -18.379 1.00 0.00 O ATOM 311 CB PHE A 17 10.578 -23.858 -15.937 1.00 0.00 C ATOM 312 CG PHE A 17 10.342 -25.336 -16.058 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.554 -26.175 -14.976 1.00 0.00 C ATOM 314 CD2 PHE A 17 9.908 -25.886 -17.253 1.00 0.00 C ATOM 315 CE1 PHE A 17 10.338 -27.536 -15.085 1.00 0.00 C ATOM 316 CE2 PHE A 17 9.690 -27.246 -17.368 1.00 0.00 C ATOM 317 CZ PHE A 17 9.905 -28.072 -16.282 1.00 0.00 C ATOM 0 H PHE A 17 11.581 -21.734 -14.950 1.00 0.00 H new ATOM 0 HA PHE A 17 12.668 -24.323 -15.764 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.180 -23.512 -14.983 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.021 -23.344 -16.720 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.892 -25.761 -14.037 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.738 -25.244 -18.105 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.508 -28.180 -14.235 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.352 -27.662 -18.306 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.735 -29.135 -16.369 1.00 0.00 H new ATOM 327 N GLY A 18 12.699 -21.778 -17.654 1.00 0.00 N ATOM 328 CA GLY A 18 13.034 -21.283 -18.976 1.00 0.00 C ATOM 329 C GLY A 18 14.195 -22.032 -19.599 1.00 0.00 C ATOM 330 O GLY A 18 14.357 -22.036 -20.819 1.00 0.00 O ATOM 0 H GLY A 18 12.724 -21.076 -16.914 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.162 -21.368 -19.624 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.282 -20.223 -18.912 1.00 0.00 H new ATOM 334 N ASN A 19 15.006 -22.667 -18.759 1.00 0.00 N ATOM 335 CA ASN A 19 16.160 -23.422 -19.235 1.00 0.00 C ATOM 336 C ASN A 19 15.750 -24.824 -19.673 1.00 0.00 C ATOM 337 O ASN A 19 16.493 -25.508 -20.377 1.00 0.00 O ATOM 338 CB ASN A 19 17.225 -23.508 -18.140 1.00 0.00 C ATOM 339 CG ASN A 19 18.221 -24.625 -18.389 1.00 0.00 C ATOM 340 OD1 ASN A 19 18.055 -25.741 -17.897 1.00 0.00 O ATOM 341 ND2 ASN A 19 19.263 -24.327 -19.157 1.00 0.00 N ATOM 0 H ASN A 19 14.886 -22.674 -17.746 1.00 0.00 H new ATOM 0 HA ASN A 19 16.575 -22.899 -20.097 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.756 -22.558 -18.078 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.740 -23.665 -17.177 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.966 -25.037 -19.360 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.360 -23.388 -19.544 1.00 0.00 H new ATOM 348 N ASP A 20 14.562 -25.246 -19.252 1.00 0.00 N ATOM 349 CA ASP A 20 14.052 -26.566 -19.602 1.00 0.00 C ATOM 350 C ASP A 20 13.475 -26.569 -21.014 1.00 0.00 C ATOM 351 O ASP A 20 13.793 -27.441 -21.823 1.00 0.00 O ATOM 352 CB ASP A 20 12.983 -27.005 -18.600 1.00 0.00 C ATOM 353 CG ASP A 20 12.628 -28.472 -18.738 1.00 0.00 C ATOM 354 OD1 ASP A 20 12.566 -28.963 -19.885 1.00 0.00 O ATOM 355 OD2 ASP A 20 12.412 -29.130 -17.699 1.00 0.00 O ATOM 0 H ASP A 20 13.935 -24.693 -18.668 1.00 0.00 H new ATOM 0 HA ASP A 20 14.883 -27.270 -19.567 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.338 -26.814 -17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.086 -26.402 -18.743 1.00 0.00 H new ATOM 360 N ILE A 21 12.625 -25.589 -21.302 1.00 0.00 N ATOM 361 CA ILE A 21 12.003 -25.479 -22.616 1.00 0.00 C ATOM 362 C ILE A 21 13.046 -25.564 -23.726 1.00 0.00 C ATOM 363 O ILE A 21 12.833 -26.224 -24.743 1.00 0.00 O ATOM 364 CB ILE A 21 11.222 -24.160 -22.761 1.00 0.00 C ATOM 365 CG1 ILE A 21 10.743 -23.981 -24.203 1.00 0.00 C ATOM 366 CG2 ILE A 21 12.087 -22.983 -22.335 1.00 0.00 C ATOM 367 CD1 ILE A 21 9.919 -22.730 -24.415 1.00 0.00 C ATOM 0 H ILE A 21 12.351 -24.860 -20.643 1.00 0.00 H new ATOM 0 HA ILE A 21 11.309 -26.314 -22.707 1.00 0.00 H new ATOM 0 HB ILE A 21 10.349 -24.199 -22.110 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.609 -23.952 -24.864 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.151 -24.850 -24.491 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.521 -22.058 -22.443 1.00 0.00 H new ATOM 0 HG22 ILE A 21 12.383 -23.107 -21.293 1.00 0.00 H new ATOM 0 HG23 ILE A 21 12.977 -22.939 -22.963 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.614 -22.668 -25.460 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.034 -22.765 -23.780 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.515 -21.854 -24.159 1.00 0.00 H new ATOM 379 N SER A 22 14.175 -24.893 -23.522 1.00 0.00 N ATOM 380 CA SER A 22 15.251 -24.891 -24.506 1.00 0.00 C ATOM 381 C SER A 22 16.418 -24.029 -24.033 1.00 0.00 C ATOM 382 O SER A 22 16.275 -23.168 -23.165 1.00 0.00 O ATOM 383 CB SER A 22 14.738 -24.379 -25.853 1.00 0.00 C ATOM 384 OG SER A 22 13.707 -23.423 -25.676 1.00 0.00 O ATOM 0 H SER A 22 14.368 -24.344 -22.684 1.00 0.00 H new ATOM 0 HA SER A 22 15.603 -25.916 -24.625 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.560 -23.933 -26.413 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.366 -25.215 -26.445 1.00 0.00 H new ATOM 0 HG SER A 22 13.397 -23.110 -26.552 1.00 0.00 H new ATOM 390 N PRO A 23 17.602 -24.266 -24.617 1.00 0.00 N ATOM 391 CA PRO A 23 18.818 -23.523 -24.272 1.00 0.00 C ATOM 392 C PRO A 23 18.765 -22.074 -24.744 1.00 0.00 C ATOM 393 O PRO A 23 19.032 -21.152 -23.975 1.00 0.00 O ATOM 394 CB PRO A 23 19.921 -24.286 -25.009 1.00 0.00 C ATOM 395 CG PRO A 23 19.227 -24.947 -26.150 1.00 0.00 C ATOM 396 CD PRO A 23 17.846 -25.278 -25.658 1.00 0.00 C ATOM 0 HA PRO A 23 18.969 -23.465 -23.194 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.703 -23.612 -25.358 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.399 -25.018 -24.358 1.00 0.00 H new ATOM 0 HG2 PRO A 23 19.185 -24.287 -27.016 1.00 0.00 H new ATOM 0 HG3 PRO A 23 19.757 -25.847 -26.461 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.109 -25.216 -26.459 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.795 -26.289 -25.255 1.00 0.00 H new ATOM 404 N GLU A 24 18.418 -21.883 -26.013 1.00 0.00 N ATOM 405 CA GLU A 24 18.331 -20.545 -26.587 1.00 0.00 C ATOM 406 C GLU A 24 17.425 -19.650 -25.746 1.00 0.00 C ATOM 407 O GLU A 24 17.901 -18.813 -24.979 1.00 0.00 O ATOM 408 CB GLU A 24 17.806 -20.615 -28.022 1.00 0.00 C ATOM 409 CG GLU A 24 16.827 -21.753 -28.258 1.00 0.00 C ATOM 410 CD GLU A 24 17.446 -22.904 -29.027 1.00 0.00 C ATOM 411 OE1 GLU A 24 18.188 -22.639 -29.996 1.00 0.00 O ATOM 412 OE2 GLU A 24 17.188 -24.070 -28.660 1.00 0.00 O ATOM 0 H GLU A 24 18.193 -22.637 -26.662 1.00 0.00 H new ATOM 0 HA GLU A 24 19.333 -20.115 -26.594 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.319 -19.671 -28.268 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.650 -20.726 -28.703 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.461 -22.117 -27.298 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.964 -21.377 -28.807 1.00 0.00 H new ATOM 419 N ILE A 25 16.117 -19.833 -25.896 1.00 0.00 N ATOM 420 CA ILE A 25 15.145 -19.044 -25.150 1.00 0.00 C ATOM 421 C ILE A 25 15.470 -19.036 -23.660 1.00 0.00 C ATOM 422 O ILE A 25 15.219 -18.053 -22.964 1.00 0.00 O ATOM 423 CB ILE A 25 13.715 -19.577 -25.350 1.00 0.00 C ATOM 424 CG1 ILE A 25 12.774 -18.440 -25.752 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.221 -20.256 -24.081 1.00 0.00 C ATOM 426 CD1 ILE A 25 12.787 -17.274 -24.788 1.00 0.00 C ATOM 0 H ILE A 25 15.706 -20.521 -26.527 1.00 0.00 H new ATOM 0 HA ILE A 25 15.202 -18.026 -25.537 1.00 0.00 H new ATOM 0 HB ILE A 25 13.727 -20.314 -26.153 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.051 -18.084 -26.744 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.758 -18.829 -25.825 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.208 -20.628 -24.238 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.879 -21.089 -23.834 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.221 -19.538 -23.261 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.097 -16.506 -25.137 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.480 -17.616 -23.799 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.793 -16.859 -24.732 1.00 0.00 H new ATOM 438 N GLY A 26 16.032 -20.140 -23.177 1.00 0.00 N ATOM 439 CA GLY A 26 16.383 -20.240 -21.772 1.00 0.00 C ATOM 440 C GLY A 26 17.441 -19.233 -21.367 1.00 0.00 C ATOM 441 O GLY A 26 17.191 -18.362 -20.534 1.00 0.00 O ATOM 0 H GLY A 26 16.250 -20.967 -23.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.490 -20.088 -21.166 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.744 -21.247 -21.561 1.00 0.00 H new ATOM 445 N GLU A 27 18.627 -19.353 -21.956 1.00 0.00 N ATOM 446 CA GLU A 27 19.727 -18.447 -21.648 1.00 0.00 C ATOM 447 C GLU A 27 19.278 -16.992 -21.747 1.00 0.00 C ATOM 448 O GLU A 27 19.675 -16.152 -20.939 1.00 0.00 O ATOM 449 CB GLU A 27 20.902 -18.695 -22.597 1.00 0.00 C ATOM 450 CG GLU A 27 20.807 -17.919 -23.899 1.00 0.00 C ATOM 451 CD GLU A 27 21.764 -18.434 -24.956 1.00 0.00 C ATOM 452 OE1 GLU A 27 22.983 -18.201 -24.818 1.00 0.00 O ATOM 453 OE2 GLU A 27 21.294 -19.071 -25.923 1.00 0.00 O ATOM 0 H GLU A 27 18.850 -20.068 -22.648 1.00 0.00 H new ATOM 0 HA GLU A 27 20.048 -18.641 -20.625 1.00 0.00 H new ATOM 0 HB2 GLU A 27 21.829 -18.427 -22.091 1.00 0.00 H new ATOM 0 HB3 GLU A 27 20.958 -19.760 -22.822 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.787 -17.977 -24.279 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.016 -16.867 -23.707 1.00 0.00 H new ATOM 460 N ARG A 28 18.448 -16.702 -22.743 1.00 0.00 N ATOM 461 CA ARG A 28 17.945 -15.349 -22.950 1.00 0.00 C ATOM 462 C ARG A 28 17.011 -14.937 -21.816 1.00 0.00 C ATOM 463 O ARG A 28 17.266 -13.961 -21.111 1.00 0.00 O ATOM 464 CB ARG A 28 17.212 -15.253 -24.289 1.00 0.00 C ATOM 465 CG ARG A 28 17.395 -13.917 -24.989 1.00 0.00 C ATOM 466 CD ARG A 28 18.508 -13.977 -26.024 1.00 0.00 C ATOM 467 NE ARG A 28 19.306 -12.754 -26.041 1.00 0.00 N ATOM 468 CZ ARG A 28 20.081 -12.397 -27.059 1.00 0.00 C ATOM 469 NH1 ARG A 28 20.161 -13.164 -28.137 1.00 0.00 N ATOM 470 NH2 ARG A 28 20.778 -11.269 -27.000 1.00 0.00 N ATOM 0 H ARG A 28 18.109 -17.386 -23.420 1.00 0.00 H new ATOM 0 HA ARG A 28 18.797 -14.670 -22.961 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.565 -16.049 -24.945 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.148 -15.425 -24.124 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.462 -13.628 -25.473 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.623 -13.147 -24.252 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.154 -14.829 -25.812 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.076 -14.142 -27.011 1.00 0.00 H new ATOM 0 HE ARG A 28 19.266 -12.141 -25.227 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.626 -14.031 -28.187 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.757 -12.887 -28.917 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.719 -10.676 -26.173 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.373 -10.996 -27.782 1.00 0.00 H new ATOM 484 N VAL A 29 15.927 -15.688 -21.647 1.00 0.00 N ATOM 485 CA VAL A 29 14.954 -15.402 -20.599 1.00 0.00 C ATOM 486 C VAL A 29 15.647 -15.080 -19.280 1.00 0.00 C ATOM 487 O VAL A 29 15.429 -14.018 -18.695 1.00 0.00 O ATOM 488 CB VAL A 29 13.994 -16.587 -20.386 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.204 -16.409 -19.098 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.060 -16.736 -21.577 1.00 0.00 C ATOM 0 H VAL A 29 15.701 -16.499 -22.222 1.00 0.00 H new ATOM 0 HA VAL A 29 14.381 -14.535 -20.927 1.00 0.00 H new ATOM 0 HB VAL A 29 14.584 -17.499 -20.299 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.531 -17.256 -18.964 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.892 -16.355 -18.254 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.623 -15.488 -19.152 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.388 -17.578 -21.410 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.475 -15.824 -21.697 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.646 -16.913 -22.479 1.00 0.00 H new ATOM 500 N ARG A 30 16.483 -16.003 -18.816 1.00 0.00 N ATOM 501 CA ARG A 30 17.208 -15.817 -17.565 1.00 0.00 C ATOM 502 C ARG A 30 18.129 -14.604 -17.645 1.00 0.00 C ATOM 503 O ARG A 30 18.182 -13.787 -16.724 1.00 0.00 O ATOM 504 CB ARG A 30 18.023 -17.069 -17.232 1.00 0.00 C ATOM 505 CG ARG A 30 19.062 -17.416 -18.286 1.00 0.00 C ATOM 506 CD ARG A 30 19.483 -18.874 -18.193 1.00 0.00 C ATOM 507 NE ARG A 30 20.924 -19.041 -18.366 1.00 0.00 N ATOM 508 CZ ARG A 30 21.498 -20.196 -18.681 1.00 0.00 C ATOM 509 NH1 ARG A 30 20.757 -21.282 -18.857 1.00 0.00 N ATOM 510 NH2 ARG A 30 22.815 -20.268 -18.821 1.00 0.00 N ATOM 0 H ARG A 30 16.675 -16.887 -19.288 1.00 0.00 H new ATOM 0 HA ARG A 30 16.478 -15.645 -16.774 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.523 -16.923 -16.275 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.344 -17.913 -17.111 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.657 -17.216 -19.278 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.935 -16.775 -18.163 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.185 -19.276 -17.224 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.957 -19.452 -18.953 1.00 0.00 H new ATOM 0 HE ARG A 30 21.522 -18.225 -18.238 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.744 -21.231 -18.750 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.200 -22.168 -19.099 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.388 -19.435 -18.687 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.254 -21.156 -19.063 1.00 0.00 H new ATOM 524 N THR A 31 18.856 -14.491 -18.752 1.00 0.00 N ATOM 525 CA THR A 31 19.777 -13.379 -18.952 1.00 0.00 C ATOM 526 C THR A 31 19.070 -12.040 -18.770 1.00 0.00 C ATOM 527 O THR A 31 19.497 -11.205 -17.971 1.00 0.00 O ATOM 528 CB THR A 31 20.415 -13.423 -20.354 1.00 0.00 C ATOM 529 OG1 THR A 31 21.443 -14.418 -20.393 1.00 0.00 O ATOM 530 CG2 THR A 31 20.999 -12.068 -20.725 1.00 0.00 C ATOM 0 H THR A 31 18.825 -15.157 -19.524 1.00 0.00 H new ATOM 0 HA THR A 31 20.561 -13.479 -18.201 1.00 0.00 H new ATOM 0 HB THR A 31 19.638 -13.676 -21.075 1.00 0.00 H new ATOM 0 HG1 THR A 31 21.099 -15.227 -20.826 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.444 -12.123 -21.719 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.208 -11.318 -20.723 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.764 -11.791 -20.000 1.00 0.00 H new ATOM 538 N LEU A 32 17.988 -11.842 -19.514 1.00 0.00 N ATOM 539 CA LEU A 32 17.221 -10.604 -19.434 1.00 0.00 C ATOM 540 C LEU A 32 16.642 -10.412 -18.036 1.00 0.00 C ATOM 541 O LEU A 32 16.898 -9.402 -17.380 1.00 0.00 O ATOM 542 CB LEU A 32 16.094 -10.611 -20.468 1.00 0.00 C ATOM 543 CG LEU A 32 16.468 -11.108 -21.865 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.421 -10.681 -22.882 1.00 0.00 C ATOM 545 CD2 LEU A 32 17.843 -10.592 -22.264 1.00 0.00 C ATOM 0 H LEU A 32 17.622 -12.523 -20.180 1.00 0.00 H new ATOM 0 HA LEU A 32 17.895 -9.774 -19.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.283 -11.233 -20.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.704 -9.597 -20.557 1.00 0.00 H new ATOM 0 HG LEU A 32 16.502 -12.197 -21.845 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.704 -11.044 -23.870 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.453 -11.100 -22.606 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.354 -9.593 -22.900 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.093 -10.955 -23.261 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.836 -9.502 -22.266 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.586 -10.948 -21.551 1.00 0.00 H new ATOM 557 N VAL A 33 15.862 -11.389 -17.584 1.00 0.00 N ATOM 558 CA VAL A 33 15.249 -11.329 -16.263 1.00 0.00 C ATOM 559 C VAL A 33 16.276 -10.964 -15.197 1.00 0.00 C ATOM 560 O VAL A 33 16.234 -9.872 -14.627 1.00 0.00 O ATOM 561 CB VAL A 33 14.591 -12.670 -15.888 1.00 0.00 C ATOM 562 CG1 VAL A 33 14.126 -12.651 -14.440 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.432 -12.975 -16.825 1.00 0.00 C ATOM 0 H VAL A 33 15.640 -12.232 -18.114 1.00 0.00 H new ATOM 0 HA VAL A 33 14.482 -10.556 -16.305 1.00 0.00 H new ATOM 0 HB VAL A 33 15.333 -13.461 -15.995 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.664 -13.607 -14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.981 -12.482 -13.785 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.399 -11.850 -14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.979 -13.926 -16.545 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.687 -12.183 -16.752 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.799 -13.035 -17.850 1.00 0.00 H new ATOM 573 N LEU A 34 17.198 -11.882 -14.932 1.00 0.00 N ATOM 574 CA LEU A 34 18.238 -11.657 -13.934 1.00 0.00 C ATOM 575 C LEU A 34 19.011 -10.377 -14.233 1.00 0.00 C ATOM 576 O LEU A 34 19.423 -9.661 -13.321 1.00 0.00 O ATOM 577 CB LEU A 34 19.197 -12.848 -13.892 1.00 0.00 C ATOM 578 CG LEU A 34 18.549 -14.230 -13.798 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.571 -15.320 -14.081 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.917 -14.431 -12.429 1.00 0.00 C ATOM 0 H LEU A 34 17.247 -12.790 -15.394 1.00 0.00 H new ATOM 0 HA LEU A 34 17.758 -11.550 -12.961 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.818 -12.820 -14.787 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.863 -12.722 -13.038 1.00 0.00 H new ATOM 0 HG LEU A 34 17.764 -14.293 -14.551 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.091 -16.296 -14.009 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.976 -15.187 -15.084 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.379 -15.259 -13.352 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.461 -15.420 -12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.683 -14.347 -11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.153 -13.671 -12.266 1.00 0.00 H new ATOM 592 N GLY A 35 19.204 -10.094 -15.518 1.00 0.00 N ATOM 593 CA GLY A 35 19.926 -8.899 -15.914 1.00 0.00 C ATOM 594 C GLY A 35 19.282 -7.632 -15.386 1.00 0.00 C ATOM 595 O GLY A 35 19.854 -6.942 -14.541 1.00 0.00 O ATOM 0 H GLY A 35 18.873 -10.671 -16.291 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.952 -8.960 -15.550 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.976 -8.852 -17.002 1.00 0.00 H new ATOM 599 N LEU A 36 18.092 -7.322 -15.887 1.00 0.00 N ATOM 600 CA LEU A 36 17.370 -6.127 -15.462 1.00 0.00 C ATOM 601 C LEU A 36 17.145 -6.135 -13.953 1.00 0.00 C ATOM 602 O LEU A 36 16.956 -5.085 -13.338 1.00 0.00 O ATOM 603 CB LEU A 36 16.027 -6.033 -16.189 1.00 0.00 C ATOM 604 CG LEU A 36 15.098 -7.238 -16.040 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.211 -7.080 -14.815 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.253 -7.417 -17.293 1.00 0.00 C ATOM 0 H LEU A 36 17.606 -7.881 -16.588 1.00 0.00 H new ATOM 0 HA LEU A 36 17.975 -5.257 -15.716 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.502 -5.148 -15.828 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.221 -5.878 -17.250 1.00 0.00 H new ATOM 0 HG LEU A 36 15.710 -8.130 -15.907 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.557 -7.947 -14.725 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.833 -7.001 -13.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.607 -6.179 -14.917 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.598 -8.279 -17.170 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.650 -6.523 -17.456 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.905 -7.577 -18.152 1.00 0.00 H new ATOM 618 N VAL A 37 17.170 -7.325 -13.362 1.00 0.00 N ATOM 619 CA VAL A 37 16.972 -7.469 -11.925 1.00 0.00 C ATOM 620 C VAL A 37 18.143 -6.880 -11.147 1.00 0.00 C ATOM 621 O VAL A 37 17.968 -5.975 -10.333 1.00 0.00 O ATOM 622 CB VAL A 37 16.798 -8.947 -11.528 1.00 0.00 C ATOM 623 CG1 VAL A 37 17.057 -9.135 -10.041 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.408 -9.439 -11.901 1.00 0.00 C ATOM 0 H VAL A 37 17.325 -8.204 -13.856 1.00 0.00 H new ATOM 0 HA VAL A 37 16.062 -6.923 -11.675 1.00 0.00 H new ATOM 0 HB VAL A 37 17.528 -9.541 -12.078 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.929 -10.185 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.075 -8.824 -9.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.352 -8.531 -9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.303 -10.485 -11.613 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.659 -8.842 -11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.265 -9.343 -12.977 1.00 0.00 H new ATOM 634 N ASN A 38 19.339 -7.399 -11.405 1.00 0.00 N ATOM 635 CA ASN A 38 20.541 -6.924 -10.729 1.00 0.00 C ATOM 636 C ASN A 38 21.487 -6.244 -11.714 1.00 0.00 C ATOM 637 O ASN A 38 21.984 -5.148 -11.457 1.00 0.00 O ATOM 638 CB ASN A 38 21.256 -8.087 -10.038 1.00 0.00 C ATOM 639 CG ASN A 38 21.479 -9.263 -10.969 1.00 0.00 C ATOM 640 OD1 ASN A 38 22.447 -9.292 -11.729 1.00 0.00 O ATOM 641 ND2 ASN A 38 20.583 -10.241 -10.912 1.00 0.00 N ATOM 0 H ASN A 38 19.502 -8.149 -12.077 1.00 0.00 H new ATOM 0 HA ASN A 38 20.240 -6.193 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 38 22.217 -7.743 -9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.668 -8.413 -9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.682 -11.059 -11.514 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.796 -10.175 -10.267 1.00 0.00 H new ATOM 648 N SER A 39 21.729 -6.902 -12.843 1.00 0.00 N ATOM 649 CA SER A 39 22.618 -6.363 -13.867 1.00 0.00 C ATOM 650 C SER A 39 22.032 -5.096 -14.481 1.00 0.00 C ATOM 651 O SER A 39 20.856 -4.785 -14.292 1.00 0.00 O ATOM 652 CB SER A 39 22.865 -7.406 -14.958 1.00 0.00 C ATOM 653 OG SER A 39 24.213 -7.381 -15.392 1.00 0.00 O ATOM 0 H SER A 39 21.322 -7.809 -13.072 1.00 0.00 H new ATOM 0 HA SER A 39 23.567 -6.111 -13.394 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.620 -8.398 -14.579 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.204 -7.216 -15.804 1.00 0.00 H new ATOM 0 HG SER A 39 24.345 -8.058 -16.088 1.00 0.00 H new ATOM 659 N THR A 40 22.863 -4.366 -15.220 1.00 0.00 N ATOM 660 CA THR A 40 22.430 -3.131 -15.862 1.00 0.00 C ATOM 661 C THR A 40 21.565 -3.421 -17.084 1.00 0.00 C ATOM 662 O THR A 40 22.067 -3.514 -18.204 1.00 0.00 O ATOM 663 CB THR A 40 23.632 -2.269 -16.291 1.00 0.00 C ATOM 664 OG1 THR A 40 24.375 -1.856 -15.138 1.00 0.00 O ATOM 665 CG2 THR A 40 23.171 -1.046 -17.069 1.00 0.00 C ATOM 0 H THR A 40 23.839 -4.609 -15.388 1.00 0.00 H new ATOM 0 HA THR A 40 21.843 -2.581 -15.126 1.00 0.00 H new ATOM 0 HB THR A 40 24.270 -2.871 -16.937 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.139 -1.310 -15.419 1.00 0.00 H new ATOM 0 HG21 THR A 40 24.037 -0.453 -17.361 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.632 -1.364 -17.961 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.513 -0.443 -16.443 1.00 0.00 H new ATOM 673 N LEU A 41 20.263 -3.562 -16.861 1.00 0.00 N ATOM 674 CA LEU A 41 19.328 -3.841 -17.945 1.00 0.00 C ATOM 675 C LEU A 41 17.991 -3.148 -17.702 1.00 0.00 C ATOM 676 O LEU A 41 17.569 -2.971 -16.559 1.00 0.00 O ATOM 677 CB LEU A 41 19.115 -5.349 -18.086 1.00 0.00 C ATOM 678 CG LEU A 41 19.951 -6.047 -19.159 1.00 0.00 C ATOM 679 CD1 LEU A 41 21.119 -6.787 -18.528 1.00 0.00 C ATOM 680 CD2 LEU A 41 19.087 -7.003 -19.970 1.00 0.00 C ATOM 0 H LEU A 41 19.831 -3.488 -15.940 1.00 0.00 H new ATOM 0 HA LEU A 41 19.755 -3.453 -18.869 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.329 -5.817 -17.125 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.062 -5.529 -18.301 1.00 0.00 H new ATOM 0 HG LEU A 41 20.350 -5.288 -19.833 1.00 0.00 H new ATOM 0 HD11 LEU A 41 21.703 -7.278 -19.307 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.751 -6.079 -17.992 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.742 -7.536 -17.831 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.698 -7.491 -20.729 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.659 -7.757 -19.309 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.284 -6.447 -20.453 1.00 0.00 H new ATOM 692 N THR A 42 17.327 -2.758 -18.786 1.00 0.00 N ATOM 693 CA THR A 42 16.037 -2.085 -18.691 1.00 0.00 C ATOM 694 C THR A 42 14.955 -2.862 -19.432 1.00 0.00 C ATOM 695 O THR A 42 15.253 -3.693 -20.291 1.00 0.00 O ATOM 696 CB THR A 42 16.107 -0.655 -19.260 1.00 0.00 C ATOM 697 OG1 THR A 42 14.827 -0.022 -19.152 1.00 0.00 O ATOM 698 CG2 THR A 42 16.548 -0.673 -20.716 1.00 0.00 C ATOM 0 H THR A 42 17.661 -2.897 -19.740 1.00 0.00 H new ATOM 0 HA THR A 42 15.784 -2.035 -17.632 1.00 0.00 H new ATOM 0 HB THR A 42 16.840 -0.093 -18.682 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.880 0.887 -19.514 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.590 0.348 -21.096 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.535 -1.129 -20.792 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.835 -1.250 -21.305 1.00 0.00 H new ATOM 706 N ILE A 43 13.700 -2.588 -19.095 1.00 0.00 N ATOM 707 CA ILE A 43 12.574 -3.261 -19.730 1.00 0.00 C ATOM 708 C ILE A 43 12.665 -3.170 -21.249 1.00 0.00 C ATOM 709 O ILE A 43 12.315 -4.112 -21.959 1.00 0.00 O ATOM 710 CB ILE A 43 11.230 -2.665 -19.271 1.00 0.00 C ATOM 711 CG1 ILE A 43 10.860 -3.194 -17.884 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.136 -2.991 -20.277 1.00 0.00 C ATOM 713 CD1 ILE A 43 11.743 -2.657 -16.778 1.00 0.00 C ATOM 0 H ILE A 43 13.437 -1.904 -18.385 1.00 0.00 H new ATOM 0 HA ILE A 43 12.620 -4.307 -19.427 1.00 0.00 H new ATOM 0 HB ILE A 43 11.331 -1.581 -19.211 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.823 -2.934 -17.669 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.921 -4.282 -17.891 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.192 -2.563 -19.939 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.398 -2.571 -21.248 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.033 -4.073 -20.365 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.424 -3.074 -15.823 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.778 -2.940 -16.969 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.664 -1.570 -16.744 1.00 0.00 H new ATOM 725 N GLU A 44 13.140 -2.030 -21.741 1.00 0.00 N ATOM 726 CA GLU A 44 13.278 -1.817 -23.177 1.00 0.00 C ATOM 727 C GLU A 44 14.199 -2.865 -23.796 1.00 0.00 C ATOM 728 O GLU A 44 13.838 -3.524 -24.771 1.00 0.00 O ATOM 729 CB GLU A 44 13.823 -0.415 -23.457 1.00 0.00 C ATOM 730 CG GLU A 44 13.692 0.010 -24.910 1.00 0.00 C ATOM 731 CD GLU A 44 14.159 1.433 -25.146 1.00 0.00 C ATOM 732 OE1 GLU A 44 15.386 1.666 -25.121 1.00 0.00 O ATOM 733 OE2 GLU A 44 13.299 2.313 -25.356 1.00 0.00 O ATOM 0 H GLU A 44 13.435 -1.240 -21.167 1.00 0.00 H new ATOM 0 HA GLU A 44 12.291 -1.912 -23.629 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.296 0.303 -22.828 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.874 -0.379 -23.170 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.272 -0.667 -25.536 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.651 -0.083 -25.219 1.00 0.00 H new ATOM 740 N GLU A 45 15.389 -3.011 -23.223 1.00 0.00 N ATOM 741 CA GLU A 45 16.362 -3.978 -23.720 1.00 0.00 C ATOM 742 C GLU A 45 15.888 -5.406 -23.465 1.00 0.00 C ATOM 743 O GLU A 45 15.974 -6.266 -24.342 1.00 0.00 O ATOM 744 CB GLU A 45 17.722 -3.753 -23.055 1.00 0.00 C ATOM 745 CG GLU A 45 18.744 -4.828 -23.383 1.00 0.00 C ATOM 746 CD GLU A 45 19.621 -4.458 -24.564 1.00 0.00 C ATOM 747 OE1 GLU A 45 19.069 -4.139 -25.637 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.861 -4.486 -24.413 1.00 0.00 O ATOM 0 H GLU A 45 15.703 -2.473 -22.415 1.00 0.00 H new ATOM 0 HA GLU A 45 16.463 -3.834 -24.796 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.113 -2.784 -23.366 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.586 -3.710 -21.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.372 -5.005 -22.510 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.226 -5.763 -23.598 1.00 0.00 H new ATOM 755 N PHE A 46 15.390 -5.651 -22.258 1.00 0.00 N ATOM 756 CA PHE A 46 14.904 -6.975 -21.887 1.00 0.00 C ATOM 757 C PHE A 46 13.757 -7.409 -22.795 1.00 0.00 C ATOM 758 O PHE A 46 13.455 -8.597 -22.908 1.00 0.00 O ATOM 759 CB PHE A 46 14.443 -6.982 -20.427 1.00 0.00 C ATOM 760 CG PHE A 46 13.120 -7.660 -20.219 1.00 0.00 C ATOM 761 CD1 PHE A 46 11.934 -6.977 -20.437 1.00 0.00 C ATOM 762 CD2 PHE A 46 13.061 -8.982 -19.806 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.715 -7.599 -20.246 1.00 0.00 C ATOM 764 CE2 PHE A 46 11.844 -9.609 -19.614 1.00 0.00 C ATOM 765 CZ PHE A 46 10.670 -8.917 -19.835 1.00 0.00 C ATOM 0 H PHE A 46 15.312 -4.951 -21.520 1.00 0.00 H new ATOM 0 HA PHE A 46 15.725 -7.682 -22.006 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.197 -7.481 -19.819 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.375 -5.954 -20.071 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.963 -5.947 -20.760 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.976 -9.528 -19.632 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.798 -7.055 -20.418 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.812 -10.639 -19.291 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.718 -9.405 -19.687 1.00 0.00 H new ATOM 775 N HIS A 47 13.122 -6.436 -23.441 1.00 0.00 N ATOM 776 CA HIS A 47 12.008 -6.716 -24.341 1.00 0.00 C ATOM 777 C HIS A 47 12.501 -6.907 -25.772 1.00 0.00 C ATOM 778 O HIS A 47 11.893 -7.636 -26.556 1.00 0.00 O ATOM 779 CB HIS A 47 10.985 -5.581 -24.288 1.00 0.00 C ATOM 780 CG HIS A 47 9.851 -5.752 -25.251 1.00 0.00 C ATOM 781 ND1 HIS A 47 8.568 -6.064 -24.855 1.00 0.00 N ATOM 782 CD2 HIS A 47 9.813 -5.651 -26.601 1.00 0.00 C ATOM 783 CE1 HIS A 47 7.789 -6.149 -25.919 1.00 0.00 C ATOM 784 NE2 HIS A 47 8.520 -5.902 -26.991 1.00 0.00 N ATOM 0 H HIS A 47 13.359 -5.447 -23.358 1.00 0.00 H new ATOM 0 HA HIS A 47 11.531 -7.640 -24.014 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.585 -5.511 -23.277 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.490 -4.638 -24.497 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.644 -5.417 -27.250 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.734 -6.381 -25.913 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.180 -5.898 -27.953 1.00 0.00 H new ATOM 792 N SER A 48 13.605 -6.247 -26.106 1.00 0.00 N ATOM 793 CA SER A 48 14.176 -6.340 -27.444 1.00 0.00 C ATOM 794 C SER A 48 14.810 -7.710 -27.670 1.00 0.00 C ATOM 795 O SER A 48 14.985 -8.146 -28.808 1.00 0.00 O ATOM 796 CB SER A 48 15.220 -5.242 -27.654 1.00 0.00 C ATOM 797 OG SER A 48 16.165 -5.618 -28.641 1.00 0.00 O ATOM 0 H SER A 48 14.122 -5.642 -25.468 1.00 0.00 H new ATOM 0 HA SER A 48 13.370 -6.208 -28.166 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.725 -4.318 -27.953 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.733 -5.039 -26.714 1.00 0.00 H new ATOM 0 HG SER A 48 16.820 -4.899 -28.757 1.00 0.00 H new ATOM 803 N LYS A 49 15.152 -8.383 -26.577 1.00 0.00 N ATOM 804 CA LYS A 49 15.765 -9.704 -26.653 1.00 0.00 C ATOM 805 C LYS A 49 14.717 -10.801 -26.491 1.00 0.00 C ATOM 806 O LYS A 49 14.673 -11.752 -27.273 1.00 0.00 O ATOM 807 CB LYS A 49 16.842 -9.851 -25.576 1.00 0.00 C ATOM 808 CG LYS A 49 18.252 -9.615 -26.089 1.00 0.00 C ATOM 809 CD LYS A 49 18.682 -8.171 -25.893 1.00 0.00 C ATOM 810 CE LYS A 49 19.485 -7.998 -24.613 1.00 0.00 C ATOM 811 NZ LYS A 49 20.740 -8.799 -24.631 1.00 0.00 N ATOM 0 H LYS A 49 15.015 -8.036 -25.628 1.00 0.00 H new ATOM 0 HA LYS A 49 16.225 -9.808 -27.636 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.636 -9.148 -24.769 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.783 -10.852 -25.149 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.945 -10.276 -25.568 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.303 -9.870 -27.147 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.280 -7.849 -26.745 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.802 -7.529 -25.861 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.729 -6.944 -24.477 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.876 -8.297 -23.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.444 -8.355 -24.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.541 -9.764 -24.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.113 -8.838 -25.601 1.00 0.00 H new ATOM 825 N LEU A 50 13.873 -10.661 -25.475 1.00 0.00 N ATOM 826 CA LEU A 50 12.824 -11.640 -25.212 1.00 0.00 C ATOM 827 C LEU A 50 11.875 -11.753 -26.401 1.00 0.00 C ATOM 828 O LEU A 50 11.564 -12.853 -26.855 1.00 0.00 O ATOM 829 CB LEU A 50 12.041 -11.253 -23.956 1.00 0.00 C ATOM 830 CG LEU A 50 11.533 -12.412 -23.098 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.267 -11.947 -21.675 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.276 -13.015 -23.708 1.00 0.00 C ATOM 0 H LEU A 50 13.894 -9.879 -24.820 1.00 0.00 H new ATOM 0 HA LEU A 50 13.297 -12.609 -25.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.677 -10.620 -23.337 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.186 -10.648 -24.257 1.00 0.00 H new ATOM 0 HG LEU A 50 12.304 -13.182 -23.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.906 -12.786 -21.080 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.189 -11.563 -21.239 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.514 -11.159 -21.685 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.928 -13.839 -23.085 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.499 -12.253 -23.769 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.499 -13.386 -24.708 1.00 0.00 H new ATOM 844 N GLN A 51 11.421 -10.608 -26.900 1.00 0.00 N ATOM 845 CA GLN A 51 10.509 -10.579 -28.037 1.00 0.00 C ATOM 846 C GLN A 51 11.109 -11.307 -29.235 1.00 0.00 C ATOM 847 O GLN A 51 10.396 -11.955 -30.001 1.00 0.00 O ATOM 848 CB GLN A 51 10.178 -9.135 -28.417 1.00 0.00 C ATOM 849 CG GLN A 51 11.262 -8.459 -29.240 1.00 0.00 C ATOM 850 CD GLN A 51 10.921 -7.024 -29.589 1.00 0.00 C ATOM 851 OE1 GLN A 51 9.789 -6.578 -29.398 1.00 0.00 O ATOM 852 NE2 GLN A 51 11.901 -6.290 -30.105 1.00 0.00 N ATOM 0 H GLN A 51 11.670 -9.689 -26.535 1.00 0.00 H new ATOM 0 HA GLN A 51 9.591 -11.090 -27.746 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.244 -9.121 -28.980 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.011 -8.558 -27.508 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.200 -8.481 -28.686 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.421 -9.024 -30.158 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.824 -6.699 -30.247 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.730 -5.317 -30.360 1.00 0.00 H new ATOM 861 N GLU A 52 12.425 -11.196 -29.391 1.00 0.00 N ATOM 862 CA GLU A 52 13.120 -11.844 -30.497 1.00 0.00 C ATOM 863 C GLU A 52 13.647 -13.214 -30.080 1.00 0.00 C ATOM 864 O GLU A 52 14.218 -13.944 -30.890 1.00 0.00 O ATOM 865 CB GLU A 52 14.275 -10.968 -30.985 1.00 0.00 C ATOM 866 CG GLU A 52 15.425 -10.870 -29.997 1.00 0.00 C ATOM 867 CD GLU A 52 16.579 -10.040 -30.525 1.00 0.00 C ATOM 868 OE1 GLU A 52 16.562 -9.694 -31.725 1.00 0.00 O ATOM 869 OE2 GLU A 52 17.500 -9.736 -29.737 1.00 0.00 O ATOM 0 H GLU A 52 13.030 -10.664 -28.766 1.00 0.00 H new ATOM 0 HA GLU A 52 12.408 -11.980 -31.311 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.650 -11.368 -31.927 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.898 -9.966 -31.191 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.063 -10.432 -29.067 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.782 -11.872 -29.760 1.00 0.00 H new ATOM 876 N ALA A 53 13.452 -13.556 -28.811 1.00 0.00 N ATOM 877 CA ALA A 53 13.906 -14.838 -28.286 1.00 0.00 C ATOM 878 C ALA A 53 12.771 -15.856 -28.268 1.00 0.00 C ATOM 879 O ALA A 53 12.938 -16.996 -28.703 1.00 0.00 O ATOM 880 CB ALA A 53 14.482 -14.662 -26.889 1.00 0.00 C ATOM 0 H ALA A 53 12.982 -12.963 -28.127 1.00 0.00 H new ATOM 0 HA ALA A 53 14.688 -15.216 -28.944 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.817 -15.627 -26.509 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.327 -13.974 -26.928 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.715 -14.258 -26.228 1.00 0.00 H new ATOM 886 N THR A 54 11.615 -15.439 -27.761 1.00 0.00 N ATOM 887 CA THR A 54 10.453 -16.315 -27.684 1.00 0.00 C ATOM 888 C THR A 54 10.167 -16.968 -29.031 1.00 0.00 C ATOM 889 O THR A 54 10.761 -16.606 -30.046 1.00 0.00 O ATOM 890 CB THR A 54 9.200 -15.547 -27.222 1.00 0.00 C ATOM 891 OG1 THR A 54 9.066 -14.334 -27.970 1.00 0.00 O ATOM 892 CG2 THR A 54 9.278 -15.228 -25.737 1.00 0.00 C ATOM 0 H THR A 54 11.459 -14.499 -27.397 1.00 0.00 H new ATOM 0 HA THR A 54 10.687 -17.087 -26.951 1.00 0.00 H new ATOM 0 HB THR A 54 8.329 -16.178 -27.396 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.706 -13.671 -27.636 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.382 -14.686 -25.434 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.350 -16.155 -25.169 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.157 -14.614 -25.542 1.00 0.00 H new ATOM 900 N ASN A 55 9.253 -17.933 -29.033 1.00 0.00 N ATOM 901 CA ASN A 55 8.888 -18.638 -30.257 1.00 0.00 C ATOM 902 C ASN A 55 8.696 -17.659 -31.411 1.00 0.00 C ATOM 903 O ASN A 55 9.358 -17.762 -32.444 1.00 0.00 O ATOM 904 CB ASN A 55 7.608 -19.448 -30.042 1.00 0.00 C ATOM 905 CG ASN A 55 7.806 -20.594 -29.069 1.00 0.00 C ATOM 906 OD1 ASN A 55 8.393 -20.422 -28.001 1.00 0.00 O ATOM 907 ND2 ASN A 55 7.316 -21.772 -29.436 1.00 0.00 N ATOM 0 H ASN A 55 8.752 -18.245 -28.201 1.00 0.00 H new ATOM 0 HA ASN A 55 9.701 -19.318 -30.512 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.823 -18.790 -29.669 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.266 -19.842 -30.999 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.419 -22.581 -28.823 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.836 -21.868 -30.331 1.00 0.00 H new ATOM 914 N PHE A 56 7.786 -16.708 -31.228 1.00 0.00 N ATOM 915 CA PHE A 56 7.505 -15.710 -32.254 1.00 0.00 C ATOM 916 C PHE A 56 6.419 -14.744 -31.790 1.00 0.00 C ATOM 917 O PHE A 56 6.628 -13.534 -31.695 1.00 0.00 O ATOM 918 CB PHE A 56 7.076 -16.391 -33.555 1.00 0.00 C ATOM 919 CG PHE A 56 7.999 -16.117 -34.708 1.00 0.00 C ATOM 920 CD1 PHE A 56 8.280 -14.816 -35.093 1.00 0.00 C ATOM 921 CD2 PHE A 56 8.586 -17.160 -35.406 1.00 0.00 C ATOM 922 CE1 PHE A 56 9.128 -14.560 -36.154 1.00 0.00 C ATOM 923 CE2 PHE A 56 9.436 -16.910 -36.467 1.00 0.00 C ATOM 924 CZ PHE A 56 9.706 -15.608 -36.842 1.00 0.00 C ATOM 0 H PHE A 56 7.230 -16.607 -30.379 1.00 0.00 H new ATOM 0 HA PHE A 56 8.419 -15.143 -32.433 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.022 -17.467 -33.391 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.072 -16.057 -33.817 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.831 -13.992 -34.558 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.377 -18.180 -35.118 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.338 -13.541 -36.444 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.889 -17.732 -37.002 1.00 0.00 H new ATOM 0 HZ PHE A 56 10.368 -15.410 -37.672 1.00 0.00 H new ATOM 934 N PRO A 57 5.230 -15.290 -31.495 1.00 0.00 N ATOM 935 CA PRO A 57 4.086 -14.495 -31.036 1.00 0.00 C ATOM 936 C PRO A 57 4.291 -13.941 -29.630 1.00 0.00 C ATOM 937 O PRO A 57 3.869 -14.548 -28.645 1.00 0.00 O ATOM 938 CB PRO A 57 2.929 -15.497 -31.053 1.00 0.00 C ATOM 939 CG PRO A 57 3.578 -16.828 -30.895 1.00 0.00 C ATOM 940 CD PRO A 57 4.910 -16.724 -31.585 1.00 0.00 C ATOM 0 HA PRO A 57 3.920 -13.620 -31.664 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.224 -15.302 -30.245 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.368 -15.438 -31.986 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.703 -17.079 -29.842 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.968 -17.615 -31.340 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.666 -17.336 -31.093 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.853 -17.059 -32.621 1.00 0.00 H new ATOM 948 N LEU A 58 4.942 -12.786 -29.544 1.00 0.00 N ATOM 949 CA LEU A 58 5.203 -12.150 -28.257 1.00 0.00 C ATOM 950 C LEU A 58 3.899 -11.765 -27.566 1.00 0.00 C ATOM 951 O LEU A 58 2.863 -11.611 -28.213 1.00 0.00 O ATOM 952 CB LEU A 58 6.078 -10.910 -28.448 1.00 0.00 C ATOM 953 CG LEU A 58 6.361 -10.088 -27.189 1.00 0.00 C ATOM 954 CD1 LEU A 58 7.157 -10.907 -26.185 1.00 0.00 C ATOM 955 CD2 LEU A 58 7.103 -8.808 -27.544 1.00 0.00 C ATOM 0 H LEU A 58 5.298 -12.271 -30.349 1.00 0.00 H new ATOM 0 HA LEU A 58 5.730 -12.865 -27.625 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.031 -11.224 -28.874 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.599 -10.261 -29.181 1.00 0.00 H new ATOM 0 HG LEU A 58 5.409 -9.818 -26.733 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.349 -10.306 -25.296 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.589 -11.795 -25.907 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.105 -11.208 -26.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.296 -8.236 -26.637 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.049 -9.057 -28.024 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.496 -8.213 -28.226 1.00 0.00 H new ATOM 967 N ARG A 59 3.958 -11.609 -26.247 1.00 0.00 N ATOM 968 CA ARG A 59 2.782 -11.241 -25.468 1.00 0.00 C ATOM 969 C ARG A 59 2.452 -9.762 -25.647 1.00 0.00 C ATOM 970 O ARG A 59 3.271 -8.970 -26.115 1.00 0.00 O ATOM 971 CB ARG A 59 3.009 -11.547 -23.986 1.00 0.00 C ATOM 972 CG ARG A 59 4.438 -11.306 -23.527 1.00 0.00 C ATOM 973 CD ARG A 59 4.479 -10.666 -22.148 1.00 0.00 C ATOM 974 NE ARG A 59 4.827 -11.629 -21.107 1.00 0.00 N ATOM 975 CZ ARG A 59 6.025 -12.193 -20.998 1.00 0.00 C ATOM 976 NH1 ARG A 59 6.984 -11.891 -21.862 1.00 0.00 N ATOM 977 NH2 ARG A 59 6.265 -13.061 -20.024 1.00 0.00 N ATOM 0 H ARG A 59 4.808 -11.732 -25.696 1.00 0.00 H new ATOM 0 HA ARG A 59 1.939 -11.831 -25.829 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.336 -10.932 -23.389 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.745 -12.587 -23.794 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.979 -12.252 -23.507 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.948 -10.662 -24.244 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.205 -9.853 -22.147 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.507 -10.225 -21.924 1.00 0.00 H new ATOM 0 HE ARG A 59 4.111 -11.883 -20.426 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.803 -11.224 -22.612 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.903 -12.325 -21.776 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.529 -13.296 -19.358 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.185 -13.493 -19.941 1.00 0.00 H new ATOM 991 N PRO A 60 1.224 -9.379 -25.268 1.00 0.00 N ATOM 992 CA PRO A 60 0.758 -7.993 -25.377 1.00 0.00 C ATOM 993 C PRO A 60 1.458 -7.066 -24.390 1.00 0.00 C ATOM 994 O PRO A 60 2.467 -6.441 -24.718 1.00 0.00 O ATOM 995 CB PRO A 60 -0.734 -8.094 -25.050 1.00 0.00 C ATOM 996 CG PRO A 60 -0.854 -9.315 -24.205 1.00 0.00 C ATOM 997 CD PRO A 60 0.196 -10.269 -24.702 1.00 0.00 C ATOM 0 HA PRO A 60 0.966 -7.570 -26.360 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.084 -7.209 -24.519 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.333 -8.179 -25.957 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.699 -9.078 -23.153 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.849 -9.752 -24.290 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.596 -10.883 -23.895 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.203 -10.951 -25.453 1.00 0.00 H new ATOM 1005 N PHE A 61 0.918 -6.982 -23.179 1.00 0.00 N ATOM 1006 CA PHE A 61 1.491 -6.130 -22.143 1.00 0.00 C ATOM 1007 C PHE A 61 2.810 -6.705 -21.635 1.00 0.00 C ATOM 1008 O PHE A 61 2.858 -7.339 -20.581 1.00 0.00 O ATOM 1009 CB PHE A 61 0.509 -5.972 -20.981 1.00 0.00 C ATOM 1010 CG PHE A 61 -0.632 -5.042 -21.282 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -1.619 -5.404 -22.185 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -0.717 -3.806 -20.662 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -2.668 -4.550 -22.464 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -1.765 -2.947 -20.937 1.00 0.00 C ATOM 1015 CZ PHE A 61 -2.742 -3.321 -21.839 1.00 0.00 C ATOM 0 H PHE A 61 0.084 -7.494 -22.890 1.00 0.00 H new ATOM 0 HA PHE A 61 1.686 -5.150 -22.580 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.109 -6.951 -20.718 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.048 -5.603 -20.108 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.567 -6.365 -22.676 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.044 -3.510 -19.956 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.430 -4.843 -23.171 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.820 -1.986 -20.448 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.563 -2.653 -22.055 1.00 0.00 H new ATOM 1025 N VAL A 62 3.879 -6.479 -22.392 1.00 0.00 N ATOM 1026 CA VAL A 62 5.198 -6.974 -22.020 1.00 0.00 C ATOM 1027 C VAL A 62 5.996 -5.907 -21.278 1.00 0.00 C ATOM 1028 O VAL A 62 6.407 -6.107 -20.135 1.00 0.00 O ATOM 1029 CB VAL A 62 5.997 -7.430 -23.256 1.00 0.00 C ATOM 1030 CG1 VAL A 62 7.151 -8.330 -22.843 1.00 0.00 C ATOM 1031 CG2 VAL A 62 5.085 -8.138 -24.246 1.00 0.00 C ATOM 0 H VAL A 62 3.857 -5.956 -23.267 1.00 0.00 H new ATOM 0 HA VAL A 62 5.041 -7.829 -21.363 1.00 0.00 H new ATOM 0 HB VAL A 62 6.413 -6.549 -23.745 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.704 -8.642 -23.729 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.816 -7.785 -22.174 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.761 -9.209 -22.330 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.665 -8.454 -25.113 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.639 -9.011 -23.770 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.296 -7.457 -24.565 1.00 0.00 H new ATOM 1041 N ILE A 63 6.211 -4.773 -21.937 1.00 0.00 N ATOM 1042 CA ILE A 63 6.958 -3.673 -21.339 1.00 0.00 C ATOM 1043 C ILE A 63 6.370 -3.279 -19.988 1.00 0.00 C ATOM 1044 O ILE A 63 7.071 -3.194 -18.979 1.00 0.00 O ATOM 1045 CB ILE A 63 6.974 -2.438 -22.259 1.00 0.00 C ATOM 1046 CG1 ILE A 63 7.636 -2.779 -23.596 1.00 0.00 C ATOM 1047 CG2 ILE A 63 7.699 -1.284 -21.583 1.00 0.00 C ATOM 1048 CD1 ILE A 63 9.075 -3.226 -23.461 1.00 0.00 C ATOM 0 H ILE A 63 5.879 -4.592 -22.884 1.00 0.00 H new ATOM 0 HA ILE A 63 7.980 -4.025 -21.199 1.00 0.00 H new ATOM 0 HB ILE A 63 5.945 -2.133 -22.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.064 -3.567 -24.085 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.595 -1.905 -24.246 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.702 -0.418 -22.245 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.189 -1.028 -20.654 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.726 -1.577 -21.365 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.480 -3.451 -24.448 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.661 -2.431 -23.001 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.122 -4.119 -22.837 1.00 0.00 H new ATOM 1060 N PRO A 64 5.052 -3.035 -19.965 1.00 0.00 N ATOM 1061 CA PRO A 64 4.339 -2.649 -18.744 1.00 0.00 C ATOM 1062 C PRO A 64 4.244 -3.794 -17.741 1.00 0.00 C ATOM 1063 O PRO A 64 3.811 -3.603 -16.605 1.00 0.00 O ATOM 1064 CB PRO A 64 2.947 -2.265 -19.251 1.00 0.00 C ATOM 1065 CG PRO A 64 2.783 -3.028 -20.520 1.00 0.00 C ATOM 1066 CD PRO A 64 4.155 -3.118 -21.130 1.00 0.00 C ATOM 0 HA PRO A 64 4.849 -1.847 -18.211 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.175 -2.529 -18.528 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.870 -1.191 -19.422 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.375 -4.021 -20.329 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.090 -2.523 -21.192 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.291 -4.051 -21.677 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.336 -2.306 -21.835 1.00 0.00 H new ATOM 1074 N PHE A 65 4.651 -4.984 -18.170 1.00 0.00 N ATOM 1075 CA PHE A 65 4.611 -6.161 -17.309 1.00 0.00 C ATOM 1076 C PHE A 65 5.681 -6.079 -16.225 1.00 0.00 C ATOM 1077 O PHE A 65 5.373 -6.039 -15.034 1.00 0.00 O ATOM 1078 CB PHE A 65 4.805 -7.432 -18.139 1.00 0.00 C ATOM 1079 CG PHE A 65 3.853 -8.536 -17.776 1.00 0.00 C ATOM 1080 CD1 PHE A 65 3.389 -8.670 -16.477 1.00 0.00 C ATOM 1081 CD2 PHE A 65 3.421 -9.439 -18.734 1.00 0.00 C ATOM 1082 CE1 PHE A 65 2.513 -9.685 -16.141 1.00 0.00 C ATOM 1083 CE2 PHE A 65 2.544 -10.455 -18.404 1.00 0.00 C ATOM 1084 CZ PHE A 65 2.091 -10.578 -17.105 1.00 0.00 C ATOM 0 H PHE A 65 5.012 -5.159 -19.108 1.00 0.00 H new ATOM 0 HA PHE A 65 3.634 -6.195 -16.827 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.682 -7.189 -19.195 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.827 -7.788 -18.011 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.716 -7.974 -15.719 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.774 -9.348 -19.751 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.159 -9.779 -15.125 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.214 -11.151 -19.160 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.407 -11.372 -16.844 1.00 0.00 H new ATOM 1094 N LEU A 66 6.941 -6.055 -16.647 1.00 0.00 N ATOM 1095 CA LEU A 66 8.059 -5.979 -15.713 1.00 0.00 C ATOM 1096 C LEU A 66 8.323 -4.536 -15.297 1.00 0.00 C ATOM 1097 O LEU A 66 8.905 -4.279 -14.243 1.00 0.00 O ATOM 1098 CB LEU A 66 9.317 -6.578 -16.344 1.00 0.00 C ATOM 1099 CG LEU A 66 9.592 -8.049 -16.026 1.00 0.00 C ATOM 1100 CD1 LEU A 66 10.864 -8.515 -16.718 1.00 0.00 C ATOM 1101 CD2 LEU A 66 9.692 -8.260 -14.523 1.00 0.00 C ATOM 0 H LEU A 66 7.214 -6.087 -17.629 1.00 0.00 H new ATOM 0 HA LEU A 66 7.798 -6.552 -14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.244 -6.468 -17.426 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.176 -5.990 -16.021 1.00 0.00 H new ATOM 0 HG LEU A 66 8.760 -8.644 -16.401 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.044 -9.563 -16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.754 -8.401 -17.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.706 -7.915 -16.373 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.888 -9.312 -14.316 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.505 -7.654 -14.124 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.755 -7.965 -14.051 1.00 0.00 H new ATOM 1113 N LYS A 67 7.890 -3.596 -16.130 1.00 0.00 N ATOM 1114 CA LYS A 67 8.075 -2.178 -15.848 1.00 0.00 C ATOM 1115 C LYS A 67 7.702 -1.856 -14.405 1.00 0.00 C ATOM 1116 O LYS A 67 8.318 -1.000 -13.770 1.00 0.00 O ATOM 1117 CB LYS A 67 7.231 -1.332 -16.805 1.00 0.00 C ATOM 1118 CG LYS A 67 8.034 -0.703 -17.931 1.00 0.00 C ATOM 1119 CD LYS A 67 8.806 0.515 -17.452 1.00 0.00 C ATOM 1120 CE LYS A 67 10.227 0.152 -17.050 1.00 0.00 C ATOM 1121 NZ LYS A 67 11.121 1.343 -17.034 1.00 0.00 N ATOM 0 H LYS A 67 7.408 -3.791 -17.007 1.00 0.00 H new ATOM 0 HA LYS A 67 9.128 -1.939 -15.994 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.447 -1.957 -17.234 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.736 -0.543 -16.239 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.728 -1.438 -18.339 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.363 -0.415 -18.740 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.831 1.265 -18.242 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.290 0.963 -16.603 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.218 -0.309 -16.062 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.622 -0.590 -17.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.080 1.053 -16.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.150 1.768 -17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.758 2.040 -16.353 1.00 0.00 H new ATOM 1135 N ALA A 68 6.691 -2.550 -13.891 1.00 0.00 N ATOM 1136 CA ALA A 68 6.239 -2.340 -12.521 1.00 0.00 C ATOM 1137 C ALA A 68 6.635 -3.511 -11.628 1.00 0.00 C ATOM 1138 O ALA A 68 6.661 -3.388 -10.404 1.00 0.00 O ATOM 1139 CB ALA A 68 4.732 -2.134 -12.489 1.00 0.00 C ATOM 0 H ALA A 68 6.170 -3.262 -14.403 1.00 0.00 H new ATOM 0 HA ALA A 68 6.725 -1.443 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.408 -1.978 -11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.471 -1.261 -13.088 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.236 -3.015 -12.896 1.00 0.00 H new ATOM 1145 N ASN A 69 6.941 -4.646 -12.248 1.00 0.00 N ATOM 1146 CA ASN A 69 7.333 -5.839 -11.508 1.00 0.00 C ATOM 1147 C ASN A 69 8.830 -5.828 -11.213 1.00 0.00 C ATOM 1148 O ASN A 69 9.347 -6.717 -10.533 1.00 0.00 O ATOM 1149 CB ASN A 69 6.967 -7.098 -12.297 1.00 0.00 C ATOM 1150 CG ASN A 69 5.856 -7.892 -11.637 1.00 0.00 C ATOM 1151 OD1 ASN A 69 4.622 -7.432 -11.803 1.00 0.00 O flip ATOM 1152 ND2 ASN A 69 6.106 -8.906 -10.986 1.00 0.00 N flip ATOM 0 H ASN A 69 6.925 -4.764 -13.261 1.00 0.00 H new ATOM 0 HA ASN A 69 6.793 -5.842 -10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.659 -6.816 -13.304 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.850 -7.729 -12.399 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.070 -9.222 -10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.349 -9.430 -10.547 1.00 0.00 H new ATOM 1159 N LEU A 70 9.522 -4.818 -11.727 1.00 0.00 N ATOM 1160 CA LEU A 70 10.960 -4.690 -11.519 1.00 0.00 C ATOM 1161 C LEU A 70 11.315 -4.876 -10.047 1.00 0.00 C ATOM 1162 O LEU A 70 12.133 -5.720 -9.683 1.00 0.00 O ATOM 1163 CB LEU A 70 11.446 -3.323 -12.004 1.00 0.00 C ATOM 1164 CG LEU A 70 12.668 -3.332 -12.923 1.00 0.00 C ATOM 1165 CD1 LEU A 70 13.907 -3.773 -12.159 1.00 0.00 C ATOM 1166 CD2 LEU A 70 12.427 -4.239 -14.121 1.00 0.00 C ATOM 0 H LEU A 70 9.110 -4.075 -12.291 1.00 0.00 H new ATOM 0 HA LEU A 70 11.457 -5.470 -12.095 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.626 -2.833 -12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.677 -2.711 -11.132 1.00 0.00 H new ATOM 0 HG LEU A 70 12.833 -2.318 -13.287 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.767 -3.773 -12.829 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.090 -3.084 -11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.753 -4.778 -11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.307 -4.233 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.236 -5.255 -13.776 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.565 -3.879 -14.682 1.00 0.00 H new ATOM 1178 N PRO A 71 10.685 -4.070 -9.179 1.00 0.00 N ATOM 1179 CA PRO A 71 10.917 -4.128 -7.733 1.00 0.00 C ATOM 1180 C PRO A 71 10.358 -5.402 -7.107 1.00 0.00 C ATOM 1181 O PRO A 71 10.643 -5.715 -5.951 1.00 0.00 O ATOM 1182 CB PRO A 71 10.171 -2.901 -7.204 1.00 0.00 C ATOM 1183 CG PRO A 71 9.113 -2.635 -8.219 1.00 0.00 C ATOM 1184 CD PRO A 71 9.698 -3.040 -9.543 1.00 0.00 C ATOM 0 HA PRO A 71 11.980 -4.135 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.738 -3.093 -6.222 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.840 -2.047 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.210 -3.206 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.832 -1.582 -8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.936 -3.434 -10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.166 -2.196 -10.050 1.00 0.00 H new ATOM 1192 N LEU A 72 9.560 -6.133 -7.878 1.00 0.00 N ATOM 1193 CA LEU A 72 8.961 -7.374 -7.399 1.00 0.00 C ATOM 1194 C LEU A 72 9.828 -8.574 -7.766 1.00 0.00 C ATOM 1195 O LEU A 72 9.820 -9.594 -7.075 1.00 0.00 O ATOM 1196 CB LEU A 72 7.558 -7.545 -7.986 1.00 0.00 C ATOM 1197 CG LEU A 72 6.402 -7.046 -7.119 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.561 -7.532 -5.687 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.321 -5.527 -7.162 1.00 0.00 C ATOM 0 H LEU A 72 9.313 -5.888 -8.837 1.00 0.00 H new ATOM 0 HA LEU A 72 8.890 -7.319 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.520 -7.023 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.399 -8.603 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 72 5.472 -7.451 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.729 -7.167 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.570 -8.622 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.498 -7.156 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.493 -5.189 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.253 -5.102 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.160 -5.200 -8.189 1.00 0.00 H new ATOM 1211 N LEU A 73 10.577 -8.446 -8.856 1.00 0.00 N ATOM 1212 CA LEU A 73 11.452 -9.519 -9.313 1.00 0.00 C ATOM 1213 C LEU A 73 12.868 -9.334 -8.775 1.00 0.00 C ATOM 1214 O LEU A 73 13.626 -10.296 -8.654 1.00 0.00 O ATOM 1215 CB LEU A 73 11.478 -9.566 -10.842 1.00 0.00 C ATOM 1216 CG LEU A 73 10.859 -10.808 -11.485 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.613 -12.059 -11.065 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.387 -10.921 -11.118 1.00 0.00 C ATOM 0 H LEU A 73 10.596 -7.610 -9.439 1.00 0.00 H new ATOM 0 HA LEU A 73 11.059 -10.462 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.957 -8.687 -11.222 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.514 -9.489 -11.171 1.00 0.00 H new ATOM 0 HG LEU A 73 10.936 -10.710 -12.568 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.158 -12.932 -11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.653 -11.980 -11.380 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.569 -12.164 -9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.963 -11.810 -11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.287 -10.996 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.855 -10.038 -11.471 1.00 0.00 H new ATOM 1230 N GLN A 74 13.215 -8.092 -8.453 1.00 0.00 N ATOM 1231 CA GLN A 74 14.539 -7.782 -7.926 1.00 0.00 C ATOM 1232 C GLN A 74 14.576 -7.956 -6.411 1.00 0.00 C ATOM 1233 O GLN A 74 15.646 -8.098 -5.819 1.00 0.00 O ATOM 1234 CB GLN A 74 14.936 -6.352 -8.296 1.00 0.00 C ATOM 1235 CG GLN A 74 14.219 -5.290 -7.479 1.00 0.00 C ATOM 1236 CD GLN A 74 14.991 -4.891 -6.236 1.00 0.00 C ATOM 1237 OE1 GLN A 74 14.496 -5.018 -5.116 1.00 0.00 O ATOM 1238 NE2 GLN A 74 16.211 -4.404 -6.428 1.00 0.00 N ATOM 0 H GLN A 74 12.599 -7.285 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 74 15.251 -8.476 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 74 16.012 -6.236 -8.162 1.00 0.00 H new ATOM 0 HB3 GLN A 74 14.727 -6.188 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.055 -4.409 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.237 -5.662 -7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.582 -4.316 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.777 -4.118 -5.629 1.00 0.00 H new ATOM 1247 N ARG A 75 13.402 -7.945 -5.790 1.00 0.00 N ATOM 1248 CA ARG A 75 13.301 -8.101 -4.344 1.00 0.00 C ATOM 1249 C ARG A 75 13.341 -9.575 -3.951 1.00 0.00 C ATOM 1250 O ARG A 75 13.693 -9.916 -2.823 1.00 0.00 O ATOM 1251 CB ARG A 75 12.010 -7.460 -3.829 1.00 0.00 C ATOM 1252 CG ARG A 75 10.751 -8.190 -4.267 1.00 0.00 C ATOM 1253 CD ARG A 75 9.498 -7.481 -3.778 1.00 0.00 C ATOM 1254 NE ARG A 75 9.345 -7.578 -2.329 1.00 0.00 N ATOM 1255 CZ ARG A 75 8.607 -6.738 -1.611 1.00 0.00 C ATOM 1256 NH1 ARG A 75 7.958 -5.746 -2.204 1.00 0.00 N ATOM 1257 NH2 ARG A 75 8.517 -6.891 -0.296 1.00 0.00 N ATOM 0 H ARG A 75 12.507 -7.830 -6.265 1.00 0.00 H new ATOM 0 HA ARG A 75 14.155 -7.598 -3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.040 -7.427 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.962 -6.429 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.730 -8.261 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.767 -9.210 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.539 -6.431 -4.069 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.624 -7.913 -4.265 1.00 0.00 H new ATOM 0 HE ARG A 75 9.831 -8.331 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.024 -5.625 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.392 -5.103 -1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.014 -7.654 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.950 -6.246 0.255 1.00 0.00 H new ATOM 1271 N GLU A 76 12.977 -10.442 -4.890 1.00 0.00 N ATOM 1272 CA GLU A 76 12.971 -11.879 -4.641 1.00 0.00 C ATOM 1273 C GLU A 76 14.334 -12.491 -4.951 1.00 0.00 C ATOM 1274 O GLU A 76 14.688 -13.546 -4.422 1.00 0.00 O ATOM 1275 CB GLU A 76 11.890 -12.560 -5.483 1.00 0.00 C ATOM 1276 CG GLU A 76 12.312 -12.820 -6.920 1.00 0.00 C ATOM 1277 CD GLU A 76 11.191 -13.400 -7.761 1.00 0.00 C ATOM 1278 OE1 GLU A 76 11.014 -14.636 -7.740 1.00 0.00 O ATOM 1279 OE2 GLU A 76 10.493 -12.619 -8.440 1.00 0.00 O ATOM 0 H GLU A 76 12.683 -10.175 -5.829 1.00 0.00 H new ATOM 0 HA GLU A 76 12.753 -12.038 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.620 -13.507 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.995 -11.938 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.653 -11.887 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.159 -13.506 -6.928 1.00 0.00 H new ATOM 1286 N LEU A 77 15.094 -11.823 -5.811 1.00 0.00 N ATOM 1287 CA LEU A 77 16.419 -12.300 -6.193 1.00 0.00 C ATOM 1288 C LEU A 77 17.322 -12.435 -4.971 1.00 0.00 C ATOM 1289 O LEU A 77 18.297 -13.187 -4.987 1.00 0.00 O ATOM 1290 CB LEU A 77 17.053 -11.346 -7.207 1.00 0.00 C ATOM 1291 CG LEU A 77 17.848 -12.001 -8.337 1.00 0.00 C ATOM 1292 CD1 LEU A 77 19.044 -12.758 -7.780 1.00 0.00 C ATOM 1293 CD2 LEU A 77 16.957 -12.931 -9.148 1.00 0.00 C ATOM 0 H LEU A 77 14.816 -10.949 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 77 16.307 -13.283 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.262 -10.740 -7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.714 -10.665 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 77 18.216 -11.216 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.597 -13.217 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.695 -12.067 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.698 -13.533 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.540 -13.388 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.558 -13.710 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.134 -12.362 -9.579 1.00 0.00 H new ATOM 1305 N LEU A 78 16.989 -11.705 -3.913 1.00 0.00 N ATOM 1306 CA LEU A 78 17.769 -11.745 -2.680 1.00 0.00 C ATOM 1307 C LEU A 78 17.445 -12.997 -1.872 1.00 0.00 C ATOM 1308 O LEU A 78 18.165 -13.348 -0.936 1.00 0.00 O ATOM 1309 CB LEU A 78 17.495 -10.497 -1.840 1.00 0.00 C ATOM 1310 CG LEU A 78 18.296 -9.248 -2.212 1.00 0.00 C ATOM 1311 CD1 LEU A 78 17.628 -8.000 -1.656 1.00 0.00 C ATOM 1312 CD2 LEU A 78 19.726 -9.361 -1.705 1.00 0.00 C ATOM 0 H LEU A 78 16.185 -11.078 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 78 18.825 -11.771 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 16.434 -10.259 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 78 17.696 -10.735 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 78 18.322 -9.167 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.212 -7.122 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.623 -7.911 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 78 17.570 -8.072 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 78 20.281 -8.464 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.720 -9.467 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 78 20.203 -10.233 -2.152 1.00 0.00 H new ATOM 1324 N HIS A 79 16.359 -13.669 -2.240 1.00 0.00 N ATOM 1325 CA HIS A 79 15.942 -14.885 -1.551 1.00 0.00 C ATOM 1326 C HIS A 79 16.662 -16.105 -2.116 1.00 0.00 C ATOM 1327 O HIS A 79 17.089 -16.986 -1.371 1.00 0.00 O ATOM 1328 CB HIS A 79 14.429 -15.071 -1.671 1.00 0.00 C ATOM 1329 CG HIS A 79 13.939 -16.371 -1.113 1.00 0.00 C ATOM 1330 ND1 HIS A 79 12.999 -17.157 -1.747 1.00 0.00 N ATOM 1331 CD2 HIS A 79 14.264 -17.024 0.028 1.00 0.00 C ATOM 1332 CE1 HIS A 79 12.767 -18.235 -1.020 1.00 0.00 C ATOM 1333 NE2 HIS A 79 13.523 -18.179 0.062 1.00 0.00 N ATOM 0 H HIS A 79 15.752 -13.392 -3.011 1.00 0.00 H new ATOM 0 HA HIS A 79 16.206 -14.785 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.929 -14.252 -1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.146 -15.006 -2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 79 14.974 -16.697 0.773 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.077 -19.028 -1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.551 -18.880 0.802 1.00 0.00 H new ATOM 1341 N ALA A 80 16.793 -16.149 -3.438 1.00 0.00 N ATOM 1342 CA ALA A 80 17.463 -17.260 -4.103 1.00 0.00 C ATOM 1343 C ALA A 80 18.825 -17.535 -3.473 1.00 0.00 C ATOM 1344 O ALA A 80 19.226 -18.688 -3.319 1.00 0.00 O ATOM 1345 CB ALA A 80 17.615 -16.972 -5.589 1.00 0.00 C ATOM 0 H ALA A 80 16.444 -15.428 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 80 16.847 -18.151 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.117 -17.810 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.630 -16.832 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.207 -16.067 -5.726 1.00 0.00 H new ATOM 1351 N ALA A 81 19.532 -16.469 -3.113 1.00 0.00 N ATOM 1352 CA ALA A 81 20.848 -16.597 -2.500 1.00 0.00 C ATOM 1353 C ALA A 81 20.754 -17.263 -1.131 1.00 0.00 C ATOM 1354 O ALA A 81 21.554 -18.138 -0.800 1.00 0.00 O ATOM 1355 CB ALA A 81 21.509 -15.231 -2.380 1.00 0.00 C ATOM 0 H ALA A 81 19.215 -15.507 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 81 21.460 -17.230 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 81 22.491 -15.341 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.619 -14.792 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.890 -14.580 -1.762 1.00 0.00 H new ATOM 1361 N ARG A 82 19.771 -16.844 -0.341 1.00 0.00 N ATOM 1362 CA ARG A 82 19.574 -17.399 0.993 1.00 0.00 C ATOM 1363 C ARG A 82 19.388 -18.912 0.930 1.00 0.00 C ATOM 1364 O ARG A 82 19.801 -19.637 1.836 1.00 0.00 O ATOM 1365 CB ARG A 82 18.360 -16.753 1.663 1.00 0.00 C ATOM 1366 CG ARG A 82 18.449 -15.238 1.755 1.00 0.00 C ATOM 1367 CD ARG A 82 19.548 -14.801 2.711 1.00 0.00 C ATOM 1368 NE ARG A 82 19.038 -14.567 4.060 1.00 0.00 N ATOM 1369 CZ ARG A 82 18.373 -13.473 4.415 1.00 0.00 C ATOM 1370 NH1 ARG A 82 18.139 -12.518 3.525 1.00 0.00 N ATOM 1371 NH2 ARG A 82 17.941 -13.333 5.661 1.00 0.00 N ATOM 0 H ARG A 82 19.099 -16.122 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 82 20.464 -17.184 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.462 -17.023 1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.248 -17.164 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.640 -14.823 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.493 -14.836 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.325 -15.565 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 82 20.014 -13.890 2.336 1.00 0.00 H new ATOM 0 HE ARG A 82 19.201 -15.283 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.470 -12.623 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.628 -11.679 3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.119 -14.066 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.431 -12.493 5.932 1.00 0.00 H new ATOM 1385 N LEU A 83 18.764 -19.382 -0.145 1.00 0.00 N ATOM 1386 CA LEU A 83 18.523 -20.809 -0.327 1.00 0.00 C ATOM 1387 C LEU A 83 19.593 -21.433 -1.217 1.00 0.00 C ATOM 1388 O LEU A 83 19.634 -22.650 -1.395 1.00 0.00 O ATOM 1389 CB LEU A 83 17.139 -21.039 -0.936 1.00 0.00 C ATOM 1390 CG LEU A 83 16.454 -22.355 -0.569 1.00 0.00 C ATOM 1391 CD1 LEU A 83 15.787 -22.248 0.794 1.00 0.00 C ATOM 1392 CD2 LEU A 83 15.437 -22.743 -1.633 1.00 0.00 C ATOM 0 H LEU A 83 18.416 -18.796 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 83 18.567 -21.287 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.490 -20.218 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.229 -20.990 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 83 17.213 -23.135 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.305 -23.194 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.538 -22.018 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.040 -21.455 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.960 -23.682 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.681 -21.962 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.941 -22.863 -2.592 1.00 0.00 H new ATOM 1404 N ALA A 84 20.459 -20.591 -1.772 1.00 0.00 N ATOM 1405 CA ALA A 84 21.531 -21.061 -2.640 1.00 0.00 C ATOM 1406 C ALA A 84 22.864 -21.088 -1.900 1.00 0.00 C ATOM 1407 O ALA A 84 23.883 -21.510 -2.449 1.00 0.00 O ATOM 1408 CB ALA A 84 21.631 -20.182 -3.878 1.00 0.00 C ATOM 0 H ALA A 84 20.439 -19.580 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 84 21.295 -22.080 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.436 -20.544 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.689 -20.216 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.840 -19.155 -3.579 1.00 0.00 H new ATOM 1414 N LYS A 85 22.851 -20.636 -0.651 1.00 0.00 N ATOM 1415 CA LYS A 85 24.059 -20.608 0.166 1.00 0.00 C ATOM 1416 C LYS A 85 25.113 -19.695 -0.451 1.00 0.00 C ATOM 1417 O LYS A 85 26.308 -19.860 -0.208 1.00 0.00 O ATOM 1418 CB LYS A 85 24.623 -22.022 0.326 1.00 0.00 C ATOM 1419 CG LYS A 85 23.571 -23.062 0.668 1.00 0.00 C ATOM 1420 CD LYS A 85 22.808 -22.690 1.928 1.00 0.00 C ATOM 1421 CE LYS A 85 23.734 -22.588 3.131 1.00 0.00 C ATOM 1422 NZ LYS A 85 24.389 -23.890 3.438 1.00 0.00 N ATOM 0 H LYS A 85 22.017 -20.284 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 85 23.795 -20.215 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 85 25.121 -22.312 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 85 25.382 -22.015 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.874 -23.163 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 85 24.048 -24.033 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.298 -21.738 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.038 -23.437 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.497 -21.834 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.166 -22.253 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.847 -23.837 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.674 -24.645 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.105 -24.098 2.713 1.00 0.00 H new ATOM 1436 N GLN A 86 24.662 -18.733 -1.249 1.00 0.00 N ATOM 1437 CA GLN A 86 25.568 -17.794 -1.900 1.00 0.00 C ATOM 1438 C GLN A 86 25.035 -16.368 -1.804 1.00 0.00 C ATOM 1439 O GLN A 86 23.987 -16.126 -1.206 1.00 0.00 O ATOM 1440 CB GLN A 86 25.767 -18.178 -3.367 1.00 0.00 C ATOM 1441 CG GLN A 86 25.890 -19.677 -3.592 1.00 0.00 C ATOM 1442 CD GLN A 86 26.934 -20.027 -4.633 1.00 0.00 C ATOM 1443 OE1 GLN A 86 27.907 -20.724 -4.344 1.00 0.00 O ATOM 1444 NE2 GLN A 86 26.739 -19.543 -5.855 1.00 0.00 N ATOM 0 H GLN A 86 23.675 -18.583 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 86 26.528 -17.839 -1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 86 24.928 -17.799 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 86 26.664 -17.687 -3.744 1.00 0.00 H new ATOM 0 HG2 GLN A 86 26.145 -20.162 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 86 24.924 -20.074 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 86 25.919 -18.969 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 86 27.410 -19.745 -6.597 1.00 0.00 H new ATOM 1453 N ASN A 87 25.764 -15.428 -2.396 1.00 0.00 N ATOM 1454 CA ASN A 87 25.365 -14.025 -2.376 1.00 0.00 C ATOM 1455 C ASN A 87 24.315 -13.743 -3.446 1.00 0.00 C ATOM 1456 O ASN A 87 24.231 -14.429 -4.465 1.00 0.00 O ATOM 1457 CB ASN A 87 26.582 -13.124 -2.589 1.00 0.00 C ATOM 1458 CG ASN A 87 26.874 -12.250 -1.384 1.00 0.00 C ATOM 1459 OD1 ASN A 87 26.859 -12.719 -0.246 1.00 0.00 O ATOM 1460 ND2 ASN A 87 27.140 -10.973 -1.630 1.00 0.00 N ATOM 0 H ASN A 87 26.634 -15.612 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 87 24.930 -13.811 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.454 -13.741 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 87 26.414 -12.492 -3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.343 -10.337 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 87 27.141 -10.628 -2.590 1.00 0.00 H new ATOM 1467 N PRO A 88 23.495 -12.708 -3.212 1.00 0.00 N ATOM 1468 CA PRO A 88 22.436 -12.310 -4.145 1.00 0.00 C ATOM 1469 C PRO A 88 22.993 -11.705 -5.429 1.00 0.00 C ATOM 1470 O PRO A 88 22.299 -11.631 -6.443 1.00 0.00 O ATOM 1471 CB PRO A 88 21.646 -11.262 -3.359 1.00 0.00 C ATOM 1472 CG PRO A 88 22.621 -10.709 -2.378 1.00 0.00 C ATOM 1473 CD PRO A 88 23.537 -11.846 -2.019 1.00 0.00 C ATOM 0 HA PRO A 88 21.836 -13.161 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 88 21.260 -10.482 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.788 -11.708 -2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 88 23.180 -9.879 -2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.111 -10.325 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.548 -11.497 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.193 -12.374 -1.130 1.00 0.00 H new ATOM 1481 N ALA A 89 24.249 -11.274 -5.379 1.00 0.00 N ATOM 1482 CA ALA A 89 24.899 -10.678 -6.539 1.00 0.00 C ATOM 1483 C ALA A 89 25.667 -11.726 -7.337 1.00 0.00 C ATOM 1484 O ALA A 89 25.613 -11.745 -8.566 1.00 0.00 O ATOM 1485 CB ALA A 89 25.830 -9.556 -6.104 1.00 0.00 C ATOM 0 H ALA A 89 24.837 -11.327 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 89 24.125 -10.263 -7.185 1.00 0.00 H new ATOM 0 HB1 ALA A 89 26.309 -9.120 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 89 25.257 -8.788 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 89 26.593 -9.955 -5.435 1.00 0.00 H new ATOM 1491 N GLN A 90 26.382 -12.595 -6.630 1.00 0.00 N ATOM 1492 CA GLN A 90 27.163 -13.645 -7.274 1.00 0.00 C ATOM 1493 C GLN A 90 26.292 -14.859 -7.582 1.00 0.00 C ATOM 1494 O GLN A 90 26.709 -15.767 -8.301 1.00 0.00 O ATOM 1495 CB GLN A 90 28.336 -14.057 -6.383 1.00 0.00 C ATOM 1496 CG GLN A 90 27.928 -14.922 -5.201 1.00 0.00 C ATOM 1497 CD GLN A 90 29.032 -15.062 -4.172 1.00 0.00 C ATOM 1498 OE1 GLN A 90 29.740 -14.101 -3.869 1.00 0.00 O ATOM 1499 NE2 GLN A 90 29.185 -16.264 -3.628 1.00 0.00 N ATOM 0 H GLN A 90 26.437 -12.593 -5.611 1.00 0.00 H new ATOM 0 HA GLN A 90 27.551 -13.251 -8.213 1.00 0.00 H new ATOM 0 HB2 GLN A 90 29.065 -14.599 -6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.832 -13.160 -6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 90 27.047 -14.490 -4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 90 27.644 -15.911 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 90 28.576 -17.032 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 90 29.912 -16.419 -2.929 1.00 0.00 H new ATOM 1508 N TYR A 91 25.082 -14.867 -7.034 1.00 0.00 N ATOM 1509 CA TYR A 91 24.154 -15.971 -7.248 1.00 0.00 C ATOM 1510 C TYR A 91 24.059 -16.323 -8.729 1.00 0.00 C ATOM 1511 O TYR A 91 24.120 -17.494 -9.107 1.00 0.00 O ATOM 1512 CB TYR A 91 22.769 -15.612 -6.707 1.00 0.00 C ATOM 1513 CG TYR A 91 21.663 -16.492 -7.245 1.00 0.00 C ATOM 1514 CD1 TYR A 91 21.425 -17.750 -6.704 1.00 0.00 C ATOM 1515 CD2 TYR A 91 20.856 -16.066 -8.293 1.00 0.00 C ATOM 1516 CE1 TYR A 91 20.416 -18.558 -7.192 1.00 0.00 C ATOM 1517 CE2 TYR A 91 19.844 -16.867 -8.786 1.00 0.00 C ATOM 1518 CZ TYR A 91 19.628 -18.111 -8.233 1.00 0.00 C ATOM 1519 OH TYR A 91 18.622 -18.912 -8.722 1.00 0.00 O ATOM 0 H TYR A 91 24.721 -14.122 -6.439 1.00 0.00 H new ATOM 0 HA TYR A 91 24.532 -16.840 -6.710 1.00 0.00 H new ATOM 0 HB2 TYR A 91 22.783 -15.684 -5.619 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.549 -14.574 -6.955 1.00 0.00 H new ATOM 0 HD1 TYR A 91 22.039 -18.102 -5.888 1.00 0.00 H new ATOM 0 HD2 TYR A 91 21.023 -15.092 -8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.245 -19.534 -6.761 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.225 -16.520 -9.600 1.00 0.00 H new ATOM 0 HH TYR A 91 18.161 -18.449 -9.453 1.00 0.00 H new ATOM 1529 N LEU A 92 23.910 -15.301 -9.565 1.00 0.00 N ATOM 1530 CA LEU A 92 23.807 -15.500 -11.006 1.00 0.00 C ATOM 1531 C LEU A 92 25.179 -15.417 -11.667 1.00 0.00 C ATOM 1532 O LEU A 92 25.560 -16.295 -12.441 1.00 0.00 O ATOM 1533 CB LEU A 92 22.869 -14.458 -11.619 1.00 0.00 C ATOM 1534 CG LEU A 92 22.699 -14.520 -13.138 1.00 0.00 C ATOM 1535 CD1 LEU A 92 23.812 -13.750 -13.831 1.00 0.00 C ATOM 1536 CD2 LEU A 92 22.670 -15.965 -13.613 1.00 0.00 C ATOM 0 H LEU A 92 23.858 -14.326 -9.269 1.00 0.00 H new ATOM 0 HA LEU A 92 23.399 -16.495 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 92 21.887 -14.567 -11.159 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.237 -13.467 -11.355 1.00 0.00 H new ATOM 0 HG LEU A 92 21.748 -14.055 -13.398 1.00 0.00 H new ATOM 0 HD11 LEU A 92 23.675 -13.805 -14.911 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.785 -12.707 -13.514 1.00 0.00 H new ATOM 0 HD13 LEU A 92 24.775 -14.185 -13.565 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.548 -15.990 -14.696 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.604 -16.456 -13.341 1.00 0.00 H new ATOM 0 HD23 LEU A 92 21.836 -16.486 -13.142 1.00 0.00 H new