USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 802 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 73 ASN : amide:sc= -2.15 K(o=-2.1,f=-9.9!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0465 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.232 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= -1.93! (180deg=-2.77!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.031) USER MOD Single : A 37 ASN : amide:sc= -0.0661 X(o=-0.066,f=-0.39) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.155 K(o=-0.16,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00856 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -4.99! C(o=-5!,f=-11!) USER MOD Single : A 87 GLN :FLIP amide:sc= -1.81 F(o=-2.9,f=-1.8) USER MOD Single : A 91 SER OG : rot -49:sc= 0.72 USER MOD Single : A 95 THR OG1 : rot -24:sc= -0.731 USER MOD Single : A 101 CYS SG : rot -0:sc= 0.223 USER MOD Single : A 106 SER OG : rot -56:sc= 0.0787 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.195 30.880 1.692 1.00 0.00 N ATOM 2 CA GLY A 1 -11.928 31.007 2.939 1.00 0.00 C ATOM 3 C GLY A 1 -11.863 29.748 3.780 1.00 0.00 C ATOM 4 O GLY A 1 -10.926 28.958 3.657 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.537 31.679 1.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.660 29.988 1.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.863 30.881 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.525 31.843 3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.970 31.242 2.722 1.00 0.00 H new ATOM 8 N SER A 2 -12.859 29.559 4.639 1.00 0.00 N ATOM 9 CA SER A 2 -12.909 28.390 5.508 1.00 0.00 C ATOM 10 C SER A 2 -13.091 27.114 4.692 1.00 0.00 C ATOM 11 O SER A 2 -13.612 27.146 3.577 1.00 0.00 O ATOM 12 CB SER A 2 -14.048 28.528 6.520 1.00 0.00 C ATOM 13 OG SER A 2 -13.861 29.665 7.346 1.00 0.00 O ATOM 0 H SER A 2 -13.643 30.201 4.752 1.00 0.00 H new ATOM 0 HA SER A 2 -11.962 28.326 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.999 28.610 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.101 27.631 7.137 1.00 0.00 H new ATOM 0 HG SER A 2 -14.603 29.732 7.983 1.00 0.00 H new ATOM 19 N SER A 3 -12.658 25.991 5.256 1.00 0.00 N ATOM 20 CA SER A 3 -12.769 24.703 4.580 1.00 0.00 C ATOM 21 C SER A 3 -14.226 24.380 4.264 1.00 0.00 C ATOM 22 O SER A 3 -15.141 24.898 4.902 1.00 0.00 O ATOM 23 CB SER A 3 -12.164 23.596 5.445 1.00 0.00 C ATOM 24 OG SER A 3 -10.752 23.697 5.490 1.00 0.00 O ATOM 0 H SER A 3 -12.227 25.947 6.179 1.00 0.00 H new ATOM 0 HA SER A 3 -12.217 24.763 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.568 23.658 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.449 22.622 5.047 1.00 0.00 H new ATOM 0 HG SER A 3 -10.390 22.979 6.051 1.00 0.00 H new ATOM 30 N GLY A 4 -14.432 23.517 3.273 1.00 0.00 N ATOM 31 CA GLY A 4 -15.779 23.139 2.888 1.00 0.00 C ATOM 32 C GLY A 4 -15.887 21.671 2.524 1.00 0.00 C ATOM 33 O GLY A 4 -15.831 21.311 1.348 1.00 0.00 O ATOM 0 H GLY A 4 -13.691 23.074 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.463 23.358 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.095 23.745 2.039 1.00 0.00 H new ATOM 37 N SER A 5 -16.041 20.822 3.535 1.00 0.00 N ATOM 38 CA SER A 5 -16.151 19.384 3.315 1.00 0.00 C ATOM 39 C SER A 5 -15.009 18.879 2.440 1.00 0.00 C ATOM 40 O SER A 5 -15.227 18.134 1.484 1.00 0.00 O ATOM 41 CB SER A 5 -17.494 19.048 2.665 1.00 0.00 C ATOM 42 OG SER A 5 -18.565 19.253 3.571 1.00 0.00 O ATOM 0 H SER A 5 -16.092 21.104 4.514 1.00 0.00 H new ATOM 0 HA SER A 5 -16.090 18.888 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.638 19.668 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.490 18.011 2.330 1.00 0.00 H new ATOM 0 HG SER A 5 -19.412 19.033 3.131 1.00 0.00 H new ATOM 48 N SER A 6 -13.789 19.291 2.773 1.00 0.00 N ATOM 49 CA SER A 6 -12.612 18.884 2.015 1.00 0.00 C ATOM 50 C SER A 6 -11.897 17.725 2.703 1.00 0.00 C ATOM 51 O SER A 6 -11.650 16.684 2.095 1.00 0.00 O ATOM 52 CB SER A 6 -11.652 20.065 1.851 1.00 0.00 C ATOM 53 OG SER A 6 -11.201 20.534 3.110 1.00 0.00 O ATOM 0 H SER A 6 -13.591 19.906 3.562 1.00 0.00 H new ATOM 0 HA SER A 6 -12.941 18.552 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.798 19.762 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.152 20.873 1.316 1.00 0.00 H new ATOM 0 HG SER A 6 -10.588 21.287 2.978 1.00 0.00 H new ATOM 59 N GLY A 7 -11.567 17.914 3.977 1.00 0.00 N ATOM 60 CA GLY A 7 -10.883 16.876 4.728 1.00 0.00 C ATOM 61 C GLY A 7 -9.379 16.932 4.556 1.00 0.00 C ATOM 62 O GLY A 7 -8.866 17.291 3.495 1.00 0.00 O ATOM 0 H GLY A 7 -11.761 18.766 4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.129 16.975 5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.246 15.900 4.406 1.00 0.00 H new ATOM 66 N PRO A 8 -8.644 16.572 5.618 1.00 0.00 N ATOM 67 CA PRO A 8 -7.178 16.575 5.605 1.00 0.00 C ATOM 68 C PRO A 8 -6.604 15.479 4.714 1.00 0.00 C ATOM 69 O PRO A 8 -7.326 14.856 3.936 1.00 0.00 O ATOM 70 CB PRO A 8 -6.809 16.321 7.069 1.00 0.00 C ATOM 71 CG PRO A 8 -7.981 15.596 7.634 1.00 0.00 C ATOM 72 CD PRO A 8 -9.188 16.133 6.915 1.00 0.00 C ATOM 0 HA PRO A 8 -6.776 17.506 5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.899 15.727 7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.628 17.256 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.884 14.521 7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.061 15.762 8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.955 15.369 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.646 16.959 7.459 1.00 0.00 H new ATOM 80 N GLY A 9 -5.300 15.248 4.832 1.00 0.00 N ATOM 81 CA GLY A 9 -4.651 14.226 4.031 1.00 0.00 C ATOM 82 C GLY A 9 -3.140 14.328 4.076 1.00 0.00 C ATOM 83 O GLY A 9 -2.447 13.321 4.234 1.00 0.00 O ATOM 0 H GLY A 9 -4.681 15.751 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.956 13.242 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.987 14.310 2.998 1.00 0.00 H new ATOM 87 N LEU A 10 -2.625 15.544 3.935 1.00 0.00 N ATOM 88 CA LEU A 10 -1.185 15.774 3.958 1.00 0.00 C ATOM 89 C LEU A 10 -0.670 15.861 5.391 1.00 0.00 C ATOM 90 O LEU A 10 0.421 16.374 5.639 1.00 0.00 O ATOM 91 CB LEU A 10 -0.841 17.058 3.201 1.00 0.00 C ATOM 92 CG LEU A 10 -1.707 18.277 3.519 1.00 0.00 C ATOM 93 CD1 LEU A 10 -2.961 18.279 2.658 1.00 0.00 C ATOM 94 CD2 LEU A 10 -2.072 18.302 4.996 1.00 0.00 C ATOM 0 H LEU A 10 -3.184 16.387 3.803 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.700 14.930 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.198 17.311 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.912 16.856 2.132 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.133 19.176 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.566 19.154 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.680 18.310 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.538 17.375 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.688 19.177 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.627 17.399 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.162 18.349 5.595 1.00 0.00 H new ATOM 106 N ARG A 11 -1.462 15.355 6.331 1.00 0.00 N ATOM 107 CA ARG A 11 -1.087 15.375 7.739 1.00 0.00 C ATOM 108 C ARG A 11 -0.259 14.145 8.098 1.00 0.00 C ATOM 109 O ARG A 11 -0.211 13.175 7.342 1.00 0.00 O ATOM 110 CB ARG A 11 -2.335 15.438 8.621 1.00 0.00 C ATOM 111 CG ARG A 11 -3.112 16.738 8.485 1.00 0.00 C ATOM 112 CD ARG A 11 -2.394 17.890 9.170 1.00 0.00 C ATOM 113 NE ARG A 11 -2.729 17.977 10.589 1.00 0.00 N ATOM 114 CZ ARG A 11 -2.430 19.023 11.352 1.00 0.00 C ATOM 115 NH1 ARG A 11 -1.793 20.064 10.835 1.00 0.00 N ATOM 116 NH2 ARG A 11 -2.768 19.028 12.635 1.00 0.00 N ATOM 0 H ARG A 11 -2.368 14.926 6.142 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.481 16.264 7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.991 14.605 8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.041 15.308 9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.252 16.971 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.105 16.617 8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.317 17.763 9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.658 18.826 8.677 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.219 17.192 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.531 20.063 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.565 20.866 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.258 18.228 13.036 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.538 19.831 13.220 1.00 0.00 H new ATOM 130 N GLU A 12 0.392 14.193 9.257 1.00 0.00 N ATOM 131 CA GLU A 12 1.219 13.083 9.715 1.00 0.00 C ATOM 132 C GLU A 12 0.354 11.904 10.150 1.00 0.00 C ATOM 133 O GLU A 12 -0.400 11.997 11.119 1.00 0.00 O ATOM 134 CB GLU A 12 2.114 13.528 10.873 1.00 0.00 C ATOM 135 CG GLU A 12 3.241 12.557 11.180 1.00 0.00 C ATOM 136 CD GLU A 12 4.038 12.957 12.407 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.517 12.794 13.530 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.181 13.432 12.243 1.00 0.00 O ATOM 0 H GLU A 12 0.362 14.988 9.895 1.00 0.00 H new ATOM 0 HA GLU A 12 1.847 12.764 8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.540 14.503 10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.502 13.655 11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.826 11.560 11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.909 12.498 10.321 1.00 0.00 H new ATOM 145 N LEU A 13 0.468 10.795 9.427 1.00 0.00 N ATOM 146 CA LEU A 13 -0.304 9.597 9.737 1.00 0.00 C ATOM 147 C LEU A 13 0.616 8.400 9.959 1.00 0.00 C ATOM 148 O LEU A 13 1.769 8.402 9.528 1.00 0.00 O ATOM 149 CB LEU A 13 -1.289 9.294 8.607 1.00 0.00 C ATOM 150 CG LEU A 13 -2.571 10.128 8.592 1.00 0.00 C ATOM 151 CD1 LEU A 13 -3.142 10.205 7.185 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.596 9.546 9.555 1.00 0.00 C ATOM 0 H LEU A 13 1.088 10.701 8.622 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.861 9.781 10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.775 9.437 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.565 8.241 8.665 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.328 11.139 8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.054 10.802 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.412 10.668 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.370 9.200 6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.502 10.152 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.835 8.525 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.186 9.545 10.565 1.00 0.00 H new ATOM 164 N CYS A 14 0.096 7.379 10.632 1.00 0.00 N ATOM 165 CA CYS A 14 0.870 6.174 10.911 1.00 0.00 C ATOM 166 C CYS A 14 -0.011 4.932 10.830 1.00 0.00 C ATOM 167 O CYS A 14 -1.229 5.011 10.990 1.00 0.00 O ATOM 168 CB CYS A 14 1.517 6.267 12.293 1.00 0.00 C ATOM 169 SG CYS A 14 0.356 6.642 13.628 1.00 0.00 S ATOM 0 H CYS A 14 -0.857 7.361 10.994 1.00 0.00 H new ATOM 0 HA CYS A 14 1.653 6.091 10.157 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.015 5.323 12.514 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.289 7.037 12.270 1.00 0.00 H new ATOM 0 HG CYS A 14 0.997 6.698 14.758 1.00 0.00 H new ATOM 175 N ILE A 15 0.614 3.786 10.579 1.00 0.00 N ATOM 176 CA ILE A 15 -0.114 2.527 10.477 1.00 0.00 C ATOM 177 C ILE A 15 0.331 1.545 11.556 1.00 0.00 C ATOM 178 O ILE A 15 1.390 0.928 11.447 1.00 0.00 O ATOM 179 CB ILE A 15 0.080 1.876 9.095 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.403 2.818 7.990 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.659 0.548 9.026 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.257 2.243 6.599 1.00 0.00 C ATOM 0 H ILE A 15 1.621 3.704 10.443 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.170 2.761 10.615 1.00 0.00 H new ATOM 0 HB ILE A 15 1.143 1.686 8.946 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.451 3.063 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.157 3.751 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.512 0.100 8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.272 -0.124 9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.723 0.715 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.619 2.965 5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.793 2.024 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.840 1.325 6.522 1.00 0.00 H new ATOM 194 N GLN A 16 -0.486 1.406 12.595 1.00 0.00 N ATOM 195 CA GLN A 16 -0.176 0.498 13.693 1.00 0.00 C ATOM 196 C GLN A 16 -0.459 -0.948 13.300 1.00 0.00 C ATOM 197 O GLN A 16 -1.598 -1.312 13.007 1.00 0.00 O ATOM 198 CB GLN A 16 -0.989 0.870 14.934 1.00 0.00 C ATOM 199 CG GLN A 16 -0.266 1.822 15.873 1.00 0.00 C ATOM 200 CD GLN A 16 -1.216 2.721 16.639 1.00 0.00 C ATOM 201 OE1 GLN A 16 -1.786 2.320 17.654 1.00 0.00 O ATOM 202 NE2 GLN A 16 -1.392 3.945 16.156 1.00 0.00 N ATOM 0 H GLN A 16 -1.367 1.910 12.700 1.00 0.00 H new ATOM 0 HA GLN A 16 0.886 0.592 13.921 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.928 1.326 14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.243 -0.040 15.478 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.331 1.245 16.579 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.426 2.437 15.298 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.899 4.236 15.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.020 4.595 16.629 1.00 0.00 H new ATOM 211 N LYS A 17 0.586 -1.769 13.295 1.00 0.00 N ATOM 212 CA LYS A 17 0.451 -3.177 12.938 1.00 0.00 C ATOM 213 C LYS A 17 1.195 -4.063 13.933 1.00 0.00 C ATOM 214 O LYS A 17 2.014 -3.582 14.715 1.00 0.00 O ATOM 215 CB LYS A 17 0.985 -3.419 11.525 1.00 0.00 C ATOM 216 CG LYS A 17 2.465 -3.756 11.482 1.00 0.00 C ATOM 217 CD LYS A 17 3.107 -3.290 10.186 1.00 0.00 C ATOM 218 CE LYS A 17 3.184 -1.772 10.117 1.00 0.00 C ATOM 219 NZ LYS A 17 4.354 -1.312 9.318 1.00 0.00 N ATOM 0 H LYS A 17 1.536 -1.484 13.534 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.608 -3.435 12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.422 -4.233 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.806 -2.529 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.970 -3.289 12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.597 -4.833 11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.109 -3.710 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.533 -3.665 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.267 -1.381 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.251 -1.365 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.130 -0.402 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.177 -1.196 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.573 -2.017 8.585 1.00 0.00 H new ATOM 233 N ALA A 18 0.904 -5.359 13.895 1.00 0.00 N ATOM 234 CA ALA A 18 1.548 -6.312 14.791 1.00 0.00 C ATOM 235 C ALA A 18 3.045 -6.042 14.895 1.00 0.00 C ATOM 236 O ALA A 18 3.616 -5.267 14.128 1.00 0.00 O ATOM 237 CB ALA A 18 1.299 -7.736 14.314 1.00 0.00 C ATOM 0 H ALA A 18 0.227 -5.773 13.254 1.00 0.00 H new ATOM 0 HA ALA A 18 1.113 -6.191 15.783 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.785 -8.437 14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.227 -7.932 14.297 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.706 -7.860 13.311 1.00 0.00 H new ATOM 243 N PRO A 19 3.698 -6.696 15.868 1.00 0.00 N ATOM 244 CA PRO A 19 5.138 -6.541 16.096 1.00 0.00 C ATOM 245 C PRO A 19 5.972 -7.166 14.982 1.00 0.00 C ATOM 246 O PRO A 19 7.201 -7.122 15.015 1.00 0.00 O ATOM 247 CB PRO A 19 5.369 -7.281 17.416 1.00 0.00 C ATOM 248 CG PRO A 19 4.264 -8.278 17.490 1.00 0.00 C ATOM 249 CD PRO A 19 3.081 -7.635 16.819 1.00 0.00 C ATOM 0 HA PRO A 19 5.437 -5.493 16.121 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.344 -7.769 17.431 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.342 -6.596 18.264 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.541 -9.205 16.989 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.036 -8.531 18.525 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.458 -8.371 16.310 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.443 -7.119 17.537 1.00 0.00 H new ATOM 257 N GLY A 20 5.294 -7.746 13.997 1.00 0.00 N ATOM 258 CA GLY A 20 5.989 -8.371 12.886 1.00 0.00 C ATOM 259 C GLY A 20 5.049 -8.780 11.770 1.00 0.00 C ATOM 260 O GLY A 20 5.276 -9.784 11.095 1.00 0.00 O ATOM 0 H GLY A 20 4.276 -7.795 13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.735 -7.680 12.493 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.526 -9.249 13.245 1.00 0.00 H new ATOM 264 N GLU A 21 3.988 -8.002 11.576 1.00 0.00 N ATOM 265 CA GLU A 21 3.009 -8.292 10.535 1.00 0.00 C ATOM 266 C GLU A 21 3.364 -7.569 9.239 1.00 0.00 C ATOM 267 O GLU A 21 3.549 -6.352 9.225 1.00 0.00 O ATOM 268 CB GLU A 21 1.608 -7.882 10.994 1.00 0.00 C ATOM 269 CG GLU A 21 0.559 -7.972 9.899 1.00 0.00 C ATOM 270 CD GLU A 21 0.608 -9.290 9.151 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.002 -10.305 9.761 1.00 0.00 O ATOM 272 OE2 GLU A 21 0.251 -9.305 7.954 1.00 0.00 O ATOM 0 H GLU A 21 3.785 -7.167 12.126 1.00 0.00 H new ATOM 0 HA GLU A 21 3.022 -9.366 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.307 -8.517 11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.642 -6.859 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.431 -7.844 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.704 -7.153 9.194 1.00 0.00 H new ATOM 279 N ARG A 22 3.457 -8.328 8.152 1.00 0.00 N ATOM 280 CA ARG A 22 3.791 -7.762 6.851 1.00 0.00 C ATOM 281 C ARG A 22 2.635 -6.927 6.308 1.00 0.00 C ATOM 282 O ARG A 22 1.694 -7.459 5.719 1.00 0.00 O ATOM 283 CB ARG A 22 4.139 -8.875 5.860 1.00 0.00 C ATOM 284 CG ARG A 22 5.562 -9.390 5.998 1.00 0.00 C ATOM 285 CD ARG A 22 5.742 -10.725 5.291 1.00 0.00 C ATOM 286 NE ARG A 22 6.972 -11.398 5.699 1.00 0.00 N ATOM 287 CZ ARG A 22 7.479 -12.449 5.065 1.00 0.00 C ATOM 288 NH1 ARG A 22 6.866 -12.944 3.999 1.00 0.00 N ATOM 289 NH2 ARG A 22 8.603 -13.008 5.497 1.00 0.00 N ATOM 0 H ARG A 22 3.306 -9.337 8.147 1.00 0.00 H new ATOM 0 HA ARG A 22 4.658 -7.113 6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.446 -9.705 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.992 -8.505 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.256 -8.660 5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.810 -9.500 7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.888 -11.368 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.756 -10.565 4.213 1.00 0.00 H new ATOM 0 HE ARG A 22 7.469 -11.041 6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.002 -12.518 3.663 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.258 -13.751 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.078 -12.630 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.991 -13.815 5.009 1.00 0.00 H new ATOM 303 N LEU A 23 2.713 -5.616 6.512 1.00 0.00 N ATOM 304 CA LEU A 23 1.673 -4.706 6.044 1.00 0.00 C ATOM 305 C LEU A 23 1.019 -5.235 4.771 1.00 0.00 C ATOM 306 O LEU A 23 -0.206 -5.289 4.667 1.00 0.00 O ATOM 307 CB LEU A 23 2.260 -3.317 5.790 1.00 0.00 C ATOM 308 CG LEU A 23 1.424 -2.135 6.281 1.00 0.00 C ATOM 309 CD1 LEU A 23 2.319 -1.052 6.861 1.00 0.00 C ATOM 310 CD2 LEU A 23 0.574 -1.576 5.148 1.00 0.00 C ATOM 0 H LEU A 23 3.485 -5.160 6.998 1.00 0.00 H new ATOM 0 HA LEU A 23 0.911 -4.635 6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.239 -3.266 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.420 -3.203 4.718 1.00 0.00 H new ATOM 0 HG LEU A 23 0.759 -2.488 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.706 -0.219 7.205 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.884 -1.458 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.010 -0.702 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.015 -0.735 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.222 -1.239 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.095 -2.353 4.778 1.00 0.00 H new ATOM 322 N GLY A 24 1.845 -5.627 3.806 1.00 0.00 N ATOM 323 CA GLY A 24 1.329 -6.149 2.554 1.00 0.00 C ATOM 324 C GLY A 24 0.876 -5.052 1.612 1.00 0.00 C ATOM 325 O GLY A 24 -0.218 -5.120 1.050 1.00 0.00 O ATOM 0 H GLY A 24 2.862 -5.592 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.100 -6.746 2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.492 -6.816 2.759 1.00 0.00 H new ATOM 329 N ILE A 25 1.716 -4.037 1.440 1.00 0.00 N ATOM 330 CA ILE A 25 1.395 -2.921 0.560 1.00 0.00 C ATOM 331 C ILE A 25 2.388 -2.826 -0.593 1.00 0.00 C ATOM 332 O ILE A 25 3.534 -3.260 -0.476 1.00 0.00 O ATOM 333 CB ILE A 25 1.386 -1.584 1.326 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.591 -1.502 2.265 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.089 -1.429 2.105 1.00 0.00 C ATOM 336 CD1 ILE A 25 2.972 -0.085 2.636 1.00 0.00 C ATOM 0 H ILE A 25 2.624 -3.965 1.899 1.00 0.00 H new ATOM 0 HA ILE A 25 0.398 -3.110 0.163 1.00 0.00 H new ATOM 0 HB ILE A 25 1.454 -0.769 0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.371 -2.061 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.444 -1.987 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.098 -0.480 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.754 -1.448 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.007 -2.248 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.834 -0.103 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.223 0.472 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.134 0.397 3.139 1.00 0.00 H new ATOM 348 N SER A 26 1.941 -2.255 -1.707 1.00 0.00 N ATOM 349 CA SER A 26 2.790 -2.105 -2.883 1.00 0.00 C ATOM 350 C SER A 26 2.906 -0.638 -3.286 1.00 0.00 C ATOM 351 O SER A 26 2.000 0.159 -3.037 1.00 0.00 O ATOM 352 CB SER A 26 2.232 -2.923 -4.049 1.00 0.00 C ATOM 353 OG SER A 26 3.273 -3.388 -4.890 1.00 0.00 O ATOM 0 H SER A 26 0.996 -1.889 -1.820 1.00 0.00 H new ATOM 0 HA SER A 26 3.784 -2.475 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.665 -3.771 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.539 -2.312 -4.627 1.00 0.00 H new ATOM 0 HG SER A 26 2.890 -3.909 -5.626 1.00 0.00 H new ATOM 359 N ILE A 27 4.027 -0.288 -3.909 1.00 0.00 N ATOM 360 CA ILE A 27 4.261 1.082 -4.347 1.00 0.00 C ATOM 361 C ILE A 27 4.871 1.115 -5.744 1.00 0.00 C ATOM 362 O ILE A 27 5.652 0.238 -6.112 1.00 0.00 O ATOM 363 CB ILE A 27 5.190 1.833 -3.375 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.622 1.308 -3.495 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.687 1.692 -1.946 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.627 2.102 -2.691 1.00 0.00 C ATOM 0 H ILE A 27 4.787 -0.935 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 27 3.291 1.578 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 27 5.187 2.891 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.648 0.268 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.918 1.320 -4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.354 2.228 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.683 2.109 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.663 0.638 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.620 1.673 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.630 3.137 -3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.356 2.069 -1.636 1.00 0.00 H new ATOM 378 N ARG A 28 4.511 2.135 -6.517 1.00 0.00 N ATOM 379 CA ARG A 28 5.024 2.283 -7.874 1.00 0.00 C ATOM 380 C ARG A 28 5.725 3.628 -8.046 1.00 0.00 C ATOM 381 O ARG A 28 5.238 4.657 -7.580 1.00 0.00 O ATOM 382 CB ARG A 28 3.887 2.155 -8.888 1.00 0.00 C ATOM 383 CG ARG A 28 2.858 3.271 -8.794 1.00 0.00 C ATOM 384 CD ARG A 28 1.813 3.159 -9.893 1.00 0.00 C ATOM 385 NE ARG A 28 2.229 3.841 -11.116 1.00 0.00 N ATOM 386 CZ ARG A 28 2.944 3.261 -12.074 1.00 0.00 C ATOM 387 NH1 ARG A 28 3.319 1.995 -11.952 1.00 0.00 N ATOM 388 NH2 ARG A 28 3.283 3.947 -13.157 1.00 0.00 N ATOM 0 H ARG A 28 3.867 2.871 -6.227 1.00 0.00 H new ATOM 0 HA ARG A 28 5.750 1.489 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.308 2.144 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.387 1.198 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.369 3.235 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.359 4.236 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.627 2.107 -10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.872 3.584 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 28 1.956 4.816 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.059 1.464 -11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.868 1.552 -12.689 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.995 4.921 -13.255 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.832 3.501 -13.892 1.00 0.00 H new ATOM 402 N GLY A 29 6.872 3.610 -8.718 1.00 0.00 N ATOM 403 CA GLY A 29 7.622 4.833 -8.939 1.00 0.00 C ATOM 404 C GLY A 29 9.107 4.654 -8.697 1.00 0.00 C ATOM 405 O GLY A 29 9.665 3.592 -8.971 1.00 0.00 O ATOM 0 H GLY A 29 7.295 2.770 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.462 5.174 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.241 5.613 -8.280 1.00 0.00 H new ATOM 409 N GLY A 30 9.752 5.697 -8.183 1.00 0.00 N ATOM 410 CA GLY A 30 11.176 5.631 -7.915 1.00 0.00 C ATOM 411 C GLY A 30 11.975 6.582 -8.784 1.00 0.00 C ATOM 412 O GLY A 30 11.773 6.644 -9.996 1.00 0.00 O ATOM 0 H GLY A 30 9.313 6.587 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.356 5.865 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.527 4.612 -8.080 1.00 0.00 H new ATOM 416 N ALA A 31 12.883 7.328 -8.163 1.00 0.00 N ATOM 417 CA ALA A 31 13.714 8.281 -8.887 1.00 0.00 C ATOM 418 C ALA A 31 14.611 7.571 -9.896 1.00 0.00 C ATOM 419 O ALA A 31 15.490 6.795 -9.521 1.00 0.00 O ATOM 420 CB ALA A 31 14.553 9.096 -7.914 1.00 0.00 C ATOM 0 H ALA A 31 13.061 7.290 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 31 13.057 8.955 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.169 9.804 -8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.897 9.640 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 31 15.195 8.428 -7.340 1.00 0.00 H new ATOM 426 N ARG A 32 14.383 7.842 -11.177 1.00 0.00 N ATOM 427 CA ARG A 32 15.170 7.227 -12.239 1.00 0.00 C ATOM 428 C ARG A 32 14.962 5.716 -12.265 1.00 0.00 C ATOM 429 O ARG A 32 15.905 4.953 -12.470 1.00 0.00 O ATOM 430 CB ARG A 32 16.655 7.546 -12.053 1.00 0.00 C ATOM 431 CG ARG A 32 16.975 9.029 -12.139 1.00 0.00 C ATOM 432 CD ARG A 32 16.927 9.689 -10.769 1.00 0.00 C ATOM 433 NE ARG A 32 18.036 9.265 -9.919 1.00 0.00 N ATOM 434 CZ ARG A 32 19.273 9.737 -10.034 1.00 0.00 C ATOM 435 NH1 ARG A 32 19.556 10.643 -10.959 1.00 0.00 N ATOM 436 NH2 ARG A 32 20.228 9.302 -9.223 1.00 0.00 N ATOM 0 H ARG A 32 13.660 8.483 -11.504 1.00 0.00 H new ATOM 0 HA ARG A 32 14.834 7.639 -13.191 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.980 7.168 -11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.230 7.014 -12.811 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.965 9.164 -12.575 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.264 9.518 -12.805 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.954 10.772 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.983 9.445 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 32 17.851 8.568 -9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.824 10.979 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.506 11.004 -11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.013 8.605 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 32 21.177 9.665 -9.312 1.00 0.00 H new ATOM 450 N GLY A 33 13.720 5.290 -12.054 1.00 0.00 N ATOM 451 CA GLY A 33 13.411 3.873 -12.056 1.00 0.00 C ATOM 452 C GLY A 33 11.927 3.603 -12.204 1.00 0.00 C ATOM 453 O GLY A 33 11.156 3.794 -11.263 1.00 0.00 O ATOM 0 H GLY A 33 12.922 5.902 -11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.948 3.388 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.768 3.425 -11.128 1.00 0.00 H new ATOM 457 N HIS A 34 11.524 3.158 -13.391 1.00 0.00 N ATOM 458 CA HIS A 34 10.121 2.863 -13.660 1.00 0.00 C ATOM 459 C HIS A 34 9.278 4.134 -13.608 1.00 0.00 C ATOM 460 O HIS A 34 8.289 4.204 -12.879 1.00 0.00 O ATOM 461 CB HIS A 34 9.590 1.843 -12.652 1.00 0.00 C ATOM 462 CG HIS A 34 10.487 0.657 -12.471 1.00 0.00 C ATOM 463 ND1 HIS A 34 10.875 -0.159 -13.512 1.00 0.00 N ATOM 464 CD2 HIS A 34 11.074 0.153 -11.361 1.00 0.00 C ATOM 465 CE1 HIS A 34 11.660 -1.116 -13.050 1.00 0.00 C ATOM 466 NE2 HIS A 34 11.798 -0.949 -11.747 1.00 0.00 N ATOM 0 H HIS A 34 12.149 2.994 -14.181 1.00 0.00 H new ATOM 0 HA HIS A 34 10.050 2.442 -14.663 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.452 2.334 -11.689 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.608 1.499 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.989 0.544 -10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.112 -1.901 -13.638 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.352 -1.541 -11.128 1.00 0.00 H new ATOM 475 N ALA A 35 9.678 5.135 -14.384 1.00 0.00 N ATOM 476 CA ALA A 35 8.959 6.403 -14.427 1.00 0.00 C ATOM 477 C ALA A 35 7.461 6.190 -14.240 1.00 0.00 C ATOM 478 O ALA A 35 6.796 5.601 -15.091 1.00 0.00 O ATOM 479 CB ALA A 35 9.233 7.120 -15.740 1.00 0.00 C ATOM 0 H ALA A 35 10.496 5.093 -14.992 1.00 0.00 H new ATOM 0 HA ALA A 35 9.316 7.024 -13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.690 8.065 -15.759 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.302 7.314 -15.833 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.904 6.496 -16.571 1.00 0.00 H new ATOM 485 N GLY A 36 6.935 6.674 -13.119 1.00 0.00 N ATOM 486 CA GLY A 36 5.518 6.526 -12.840 1.00 0.00 C ATOM 487 C GLY A 36 4.649 6.998 -13.988 1.00 0.00 C ATOM 488 O GLY A 36 4.129 6.189 -14.755 1.00 0.00 O ATOM 0 H GLY A 36 7.464 7.166 -12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.300 5.479 -12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.267 7.091 -11.942 1.00 0.00 H new ATOM 492 N ASN A 37 4.490 8.313 -14.106 1.00 0.00 N ATOM 493 CA ASN A 37 3.675 8.892 -15.168 1.00 0.00 C ATOM 494 C ASN A 37 4.474 9.012 -16.463 1.00 0.00 C ATOM 495 O ASN A 37 5.578 9.556 -16.492 1.00 0.00 O ATOM 496 CB ASN A 37 3.155 10.267 -14.748 1.00 0.00 C ATOM 497 CG ASN A 37 2.737 10.307 -13.290 1.00 0.00 C ATOM 498 OD1 ASN A 37 2.195 9.336 -12.762 1.00 0.00 O ATOM 499 ND2 ASN A 37 2.990 11.433 -12.633 1.00 0.00 N ATOM 0 H ASN A 37 4.915 8.997 -13.480 1.00 0.00 H new ATOM 0 HA ASN A 37 2.828 8.229 -15.344 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.930 11.014 -14.922 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.305 10.538 -15.374 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.733 11.518 -11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.441 12.212 -13.112 1.00 0.00 H new ATOM 506 N PRO A 38 3.904 8.492 -17.560 1.00 0.00 N ATOM 507 CA PRO A 38 4.545 8.530 -18.878 1.00 0.00 C ATOM 508 C PRO A 38 4.601 9.940 -19.455 1.00 0.00 C ATOM 509 O PRO A 38 5.261 10.182 -20.466 1.00 0.00 O ATOM 510 CB PRO A 38 3.645 7.637 -19.736 1.00 0.00 C ATOM 511 CG PRO A 38 2.313 7.691 -19.071 1.00 0.00 C ATOM 512 CD PRO A 38 2.590 7.829 -17.599 1.00 0.00 C ATOM 0 HA PRO A 38 5.583 8.199 -18.836 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.590 8.000 -20.762 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.025 6.616 -19.779 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.727 8.534 -19.438 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.737 6.789 -19.277 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.825 8.424 -17.100 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.614 6.859 -17.102 1.00 0.00 H new ATOM 520 N ARG A 39 3.905 10.868 -18.807 1.00 0.00 N ATOM 521 CA ARG A 39 3.876 12.255 -19.257 1.00 0.00 C ATOM 522 C ARG A 39 5.281 12.848 -19.282 1.00 0.00 C ATOM 523 O ARG A 39 5.859 13.055 -20.349 1.00 0.00 O ATOM 524 CB ARG A 39 2.975 13.090 -18.345 1.00 0.00 C ATOM 525 CG ARG A 39 1.522 12.641 -18.348 1.00 0.00 C ATOM 526 CD ARG A 39 0.579 13.806 -18.088 1.00 0.00 C ATOM 527 NE ARG A 39 -0.726 13.357 -17.610 1.00 0.00 N ATOM 528 CZ ARG A 39 -0.961 12.983 -16.357 1.00 0.00 C ATOM 529 NH1 ARG A 39 0.016 13.005 -15.461 1.00 0.00 N ATOM 530 NH2 ARG A 39 -2.175 12.587 -15.999 1.00 0.00 N ATOM 0 H ARG A 39 3.354 10.685 -17.969 1.00 0.00 H new ATOM 0 HA ARG A 39 3.474 12.274 -20.270 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.359 13.042 -17.326 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.025 14.134 -18.656 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.283 12.185 -19.309 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.375 11.875 -17.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.024 14.475 -17.352 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.451 14.381 -19.005 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.499 13.329 -18.275 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.951 13.310 -15.733 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.167 12.717 -14.500 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.929 12.569 -16.686 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.355 12.300 -15.037 1.00 0.00 H new ATOM 544 N ASP A 40 5.825 13.120 -18.101 1.00 0.00 N ATOM 545 CA ASP A 40 7.163 13.689 -17.987 1.00 0.00 C ATOM 546 C ASP A 40 8.021 12.870 -17.028 1.00 0.00 C ATOM 547 O ASP A 40 7.739 12.771 -15.834 1.00 0.00 O ATOM 548 CB ASP A 40 7.084 15.140 -17.509 1.00 0.00 C ATOM 549 CG ASP A 40 6.017 15.344 -16.451 1.00 0.00 C ATOM 550 OD1 ASP A 40 4.820 15.333 -16.806 1.00 0.00 O ATOM 551 OD2 ASP A 40 6.380 15.514 -15.269 1.00 0.00 O ATOM 0 H ASP A 40 5.360 12.956 -17.208 1.00 0.00 H new ATOM 0 HA ASP A 40 7.627 13.665 -18.973 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.052 15.440 -17.107 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.877 15.789 -18.360 1.00 0.00 H new ATOM 556 N PRO A 41 9.095 12.269 -17.561 1.00 0.00 N ATOM 557 CA PRO A 41 10.017 11.448 -16.770 1.00 0.00 C ATOM 558 C PRO A 41 10.845 12.280 -15.797 1.00 0.00 C ATOM 559 O PRO A 41 11.631 11.742 -15.017 1.00 0.00 O ATOM 560 CB PRO A 41 10.919 10.808 -17.828 1.00 0.00 C ATOM 561 CG PRO A 41 10.873 11.748 -18.984 1.00 0.00 C ATOM 562 CD PRO A 41 9.493 12.344 -18.977 1.00 0.00 C ATOM 0 HA PRO A 41 9.488 10.726 -16.148 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.937 10.685 -17.458 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.560 9.818 -18.108 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.633 12.523 -18.888 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.068 11.225 -19.920 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.498 13.372 -19.339 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.810 11.784 -19.616 1.00 0.00 H new ATOM 570 N THR A 42 10.662 13.596 -15.846 1.00 0.00 N ATOM 571 CA THR A 42 11.392 14.502 -14.969 1.00 0.00 C ATOM 572 C THR A 42 10.923 14.367 -13.525 1.00 0.00 C ATOM 573 O THR A 42 11.727 14.144 -12.619 1.00 0.00 O ATOM 574 CB THR A 42 11.229 15.968 -15.414 1.00 0.00 C ATOM 575 OG1 THR A 42 9.845 16.333 -15.400 1.00 0.00 O ATOM 576 CG2 THR A 42 11.800 16.176 -16.809 1.00 0.00 C ATOM 0 H THR A 42 10.014 14.058 -16.484 1.00 0.00 H new ATOM 0 HA THR A 42 12.444 14.225 -15.034 1.00 0.00 H new ATOM 0 HB THR A 42 11.778 16.600 -14.716 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.750 17.267 -15.682 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.674 17.218 -17.102 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.861 15.925 -16.809 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.275 15.534 -17.516 1.00 0.00 H new ATOM 584 N ASP A 43 9.618 14.503 -13.317 1.00 0.00 N ATOM 585 CA ASP A 43 9.041 14.394 -11.982 1.00 0.00 C ATOM 586 C ASP A 43 8.853 12.932 -11.589 1.00 0.00 C ATOM 587 O ASP A 43 7.837 12.318 -11.914 1.00 0.00 O ATOM 588 CB ASP A 43 7.701 15.128 -11.920 1.00 0.00 C ATOM 589 CG ASP A 43 7.232 15.359 -10.497 1.00 0.00 C ATOM 590 OD1 ASP A 43 7.859 16.176 -9.791 1.00 0.00 O ATOM 591 OD2 ASP A 43 6.237 14.723 -10.091 1.00 0.00 O ATOM 0 H ASP A 43 8.940 14.689 -14.056 1.00 0.00 H new ATOM 0 HA ASP A 43 9.732 14.856 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.792 16.087 -12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.949 14.551 -12.458 1.00 0.00 H new ATOM 596 N GLU A 44 9.840 12.381 -10.889 1.00 0.00 N ATOM 597 CA GLU A 44 9.783 10.990 -10.454 1.00 0.00 C ATOM 598 C GLU A 44 9.087 10.871 -9.101 1.00 0.00 C ATOM 599 O GLU A 44 9.712 11.026 -8.053 1.00 0.00 O ATOM 600 CB GLU A 44 11.193 10.401 -10.367 1.00 0.00 C ATOM 601 CG GLU A 44 12.082 10.777 -11.540 1.00 0.00 C ATOM 602 CD GLU A 44 11.564 10.241 -12.861 1.00 0.00 C ATOM 603 OE1 GLU A 44 10.414 10.565 -13.223 1.00 0.00 O ATOM 604 OE2 GLU A 44 12.310 9.497 -13.532 1.00 0.00 O ATOM 0 H GLU A 44 10.688 12.876 -10.611 1.00 0.00 H new ATOM 0 HA GLU A 44 9.207 10.430 -11.191 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.663 10.739 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.121 9.315 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.160 11.863 -11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.088 10.394 -11.366 1.00 0.00 H new ATOM 611 N GLY A 45 7.786 10.596 -9.134 1.00 0.00 N ATOM 612 CA GLY A 45 7.025 10.462 -7.905 1.00 0.00 C ATOM 613 C GLY A 45 6.753 9.014 -7.547 1.00 0.00 C ATOM 614 O GLY A 45 6.857 8.128 -8.396 1.00 0.00 O ATOM 0 H GLY A 45 7.246 10.464 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.570 10.938 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.078 10.992 -8.008 1.00 0.00 H new ATOM 618 N ILE A 46 6.404 8.773 -6.288 1.00 0.00 N ATOM 619 CA ILE A 46 6.117 7.423 -5.821 1.00 0.00 C ATOM 620 C ILE A 46 4.746 7.352 -5.155 1.00 0.00 C ATOM 621 O ILE A 46 4.492 8.028 -4.158 1.00 0.00 O ATOM 622 CB ILE A 46 7.184 6.933 -4.825 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.584 7.116 -5.413 1.00 0.00 C ATOM 624 CG2 ILE A 46 6.942 5.475 -4.464 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.666 7.258 -4.366 1.00 0.00 C ATOM 0 H ILE A 46 6.313 9.495 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 46 6.127 6.777 -6.699 1.00 0.00 H new ATOM 0 HB ILE A 46 7.111 7.529 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.816 6.262 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.589 8.000 -6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.704 5.143 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.957 5.372 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.991 4.864 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.632 7.384 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.458 8.128 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.689 6.364 -3.743 1.00 0.00 H new ATOM 637 N PHE A 47 3.866 6.526 -5.713 1.00 0.00 N ATOM 638 CA PHE A 47 2.521 6.365 -5.173 1.00 0.00 C ATOM 639 C PHE A 47 2.163 4.888 -5.038 1.00 0.00 C ATOM 640 O PHE A 47 2.649 4.049 -5.796 1.00 0.00 O ATOM 641 CB PHE A 47 1.501 7.069 -6.071 1.00 0.00 C ATOM 642 CG PHE A 47 1.921 8.450 -6.487 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.065 8.641 -7.245 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.172 9.556 -6.120 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.454 9.911 -7.630 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.555 10.827 -6.503 1.00 0.00 C ATOM 647 CZ PHE A 47 2.699 11.005 -7.258 1.00 0.00 C ATOM 0 H PHE A 47 4.060 5.959 -6.538 1.00 0.00 H new ATOM 0 HA PHE A 47 2.497 6.819 -4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.335 6.464 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.548 7.130 -5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.660 7.789 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.279 9.423 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.348 10.047 -8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.961 11.681 -6.213 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.002 11.998 -7.556 1.00 0.00 H new ATOM 657 N ILE A 48 1.310 4.579 -4.067 1.00 0.00 N ATOM 658 CA ILE A 48 0.886 3.205 -3.832 1.00 0.00 C ATOM 659 C ILE A 48 0.187 2.628 -5.058 1.00 0.00 C ATOM 660 O ILE A 48 -0.599 3.310 -5.716 1.00 0.00 O ATOM 661 CB ILE A 48 -0.062 3.107 -2.622 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.577 3.757 -1.393 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.410 1.653 -2.338 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.406 4.035 -0.277 1.00 0.00 C ATOM 0 H ILE A 48 0.899 5.262 -3.431 1.00 0.00 H new ATOM 0 HA ILE A 48 1.787 2.628 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.983 3.642 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.367 3.106 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.050 4.693 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.081 1.600 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.901 1.219 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.502 1.096 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.116 4.496 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.183 4.710 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.861 3.099 0.049 1.00 0.00 H new ATOM 676 N SER A 49 0.477 1.366 -5.360 1.00 0.00 N ATOM 677 CA SER A 49 -0.122 0.697 -6.509 1.00 0.00 C ATOM 678 C SER A 49 -1.072 -0.408 -6.059 1.00 0.00 C ATOM 679 O SER A 49 -1.993 -0.785 -6.785 1.00 0.00 O ATOM 680 CB SER A 49 0.967 0.113 -7.410 1.00 0.00 C ATOM 681 OG SER A 49 0.506 -1.046 -8.082 1.00 0.00 O ATOM 0 H SER A 49 1.123 0.786 -4.825 1.00 0.00 H new ATOM 0 HA SER A 49 -0.692 1.436 -7.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.279 0.860 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.844 -0.134 -6.812 1.00 0.00 H new ATOM 0 HG SER A 49 1.220 -1.399 -8.653 1.00 0.00 H new ATOM 687 N LYS A 50 -0.843 -0.923 -4.856 1.00 0.00 N ATOM 688 CA LYS A 50 -1.678 -1.985 -4.306 1.00 0.00 C ATOM 689 C LYS A 50 -1.633 -1.978 -2.781 1.00 0.00 C ATOM 690 O LYS A 50 -0.665 -1.509 -2.181 1.00 0.00 O ATOM 691 CB LYS A 50 -1.222 -3.346 -4.835 1.00 0.00 C ATOM 692 CG LYS A 50 -1.732 -4.519 -4.015 1.00 0.00 C ATOM 693 CD LYS A 50 -1.030 -5.812 -4.394 1.00 0.00 C ATOM 694 CE LYS A 50 -1.279 -6.904 -3.365 1.00 0.00 C ATOM 695 NZ LYS A 50 -2.535 -7.653 -3.644 1.00 0.00 N ATOM 0 H LYS A 50 -0.086 -0.622 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.706 -1.806 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.561 -3.458 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.132 -3.373 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.578 -4.317 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.806 -4.630 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.381 -6.145 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.041 -5.633 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.437 -7.596 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.334 -6.460 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.669 -8.388 -2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.342 -6.997 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.473 -8.098 -4.582 1.00 0.00 H new ATOM 709 N VAL A 51 -2.684 -2.502 -2.160 1.00 0.00 N ATOM 710 CA VAL A 51 -2.763 -2.559 -0.705 1.00 0.00 C ATOM 711 C VAL A 51 -3.556 -3.777 -0.245 1.00 0.00 C ATOM 712 O VAL A 51 -4.728 -3.934 -0.588 1.00 0.00 O ATOM 713 CB VAL A 51 -3.414 -1.288 -0.128 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.507 -1.376 1.387 1.00 0.00 C ATOM 715 CG2 VAL A 51 -2.634 -0.052 -0.552 1.00 0.00 C ATOM 0 H VAL A 51 -3.493 -2.894 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.740 -2.634 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.426 -1.206 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.970 -0.469 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.111 -2.240 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.507 -1.483 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.107 0.837 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.610 -0.124 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.625 0.017 -1.640 1.00 0.00 H new ATOM 725 N SER A 52 -2.909 -4.637 0.536 1.00 0.00 N ATOM 726 CA SER A 52 -3.553 -5.843 1.041 1.00 0.00 C ATOM 727 C SER A 52 -4.791 -5.495 1.863 1.00 0.00 C ATOM 728 O SER A 52 -4.794 -4.558 2.661 1.00 0.00 O ATOM 729 CB SER A 52 -2.573 -6.652 1.893 1.00 0.00 C ATOM 730 OG SER A 52 -3.196 -7.805 2.432 1.00 0.00 O ATOM 0 H SER A 52 -1.940 -4.520 0.832 1.00 0.00 H new ATOM 0 HA SER A 52 -3.863 -6.444 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.717 -6.948 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.190 -6.030 2.702 1.00 0.00 H new ATOM 0 HG SER A 52 -2.548 -8.305 2.971 1.00 0.00 H new ATOM 736 N PRO A 53 -5.869 -6.268 1.664 1.00 0.00 N ATOM 737 CA PRO A 53 -7.133 -6.061 2.377 1.00 0.00 C ATOM 738 C PRO A 53 -7.030 -6.418 3.856 1.00 0.00 C ATOM 739 O PRO A 53 -7.603 -5.741 4.711 1.00 0.00 O ATOM 740 CB PRO A 53 -8.101 -7.010 1.665 1.00 0.00 C ATOM 741 CG PRO A 53 -7.232 -8.075 1.089 1.00 0.00 C ATOM 742 CD PRO A 53 -5.937 -7.402 0.728 1.00 0.00 C ATOM 0 HA PRO A 53 -7.445 -5.017 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.830 -7.427 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.662 -6.493 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.068 -8.877 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.696 -8.525 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.088 -8.074 0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.934 -7.067 -0.309 1.00 0.00 H new ATOM 750 N THR A 54 -6.294 -7.485 4.153 1.00 0.00 N ATOM 751 CA THR A 54 -6.116 -7.932 5.528 1.00 0.00 C ATOM 752 C THR A 54 -4.858 -7.330 6.143 1.00 0.00 C ATOM 753 O THR A 54 -4.565 -7.546 7.319 1.00 0.00 O ATOM 754 CB THR A 54 -6.031 -9.467 5.614 1.00 0.00 C ATOM 755 OG1 THR A 54 -4.776 -9.919 5.093 1.00 0.00 O ATOM 756 CG2 THR A 54 -7.170 -10.116 4.841 1.00 0.00 C ATOM 0 H THR A 54 -5.812 -8.055 3.459 1.00 0.00 H new ATOM 0 HA THR A 54 -6.989 -7.592 6.086 1.00 0.00 H new ATOM 0 HB THR A 54 -6.113 -9.755 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.730 -10.896 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.089 -11.200 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.124 -9.793 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.114 -9.820 3.794 1.00 0.00 H new ATOM 764 N GLY A 55 -4.116 -6.572 5.341 1.00 0.00 N ATOM 765 CA GLY A 55 -2.898 -5.950 5.824 1.00 0.00 C ATOM 766 C GLY A 55 -3.169 -4.843 6.824 1.00 0.00 C ATOM 767 O GLY A 55 -4.320 -4.469 7.048 1.00 0.00 O ATOM 0 H GLY A 55 -4.338 -6.378 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.266 -6.708 6.288 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.341 -5.544 4.979 1.00 0.00 H new ATOM 771 N ALA A 56 -2.107 -4.319 7.427 1.00 0.00 N ATOM 772 CA ALA A 56 -2.237 -3.248 8.408 1.00 0.00 C ATOM 773 C ALA A 56 -2.868 -2.008 7.785 1.00 0.00 C ATOM 774 O ALA A 56 -3.610 -1.280 8.445 1.00 0.00 O ATOM 775 CB ALA A 56 -0.878 -2.910 9.002 1.00 0.00 C ATOM 0 H ALA A 56 -1.147 -4.618 7.254 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.893 -3.596 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.989 -2.109 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.465 -3.792 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.204 -2.586 8.209 1.00 0.00 H new ATOM 781 N ALA A 57 -2.569 -1.772 6.512 1.00 0.00 N ATOM 782 CA ALA A 57 -3.109 -0.620 5.801 1.00 0.00 C ATOM 783 C ALA A 57 -4.563 -0.852 5.404 1.00 0.00 C ATOM 784 O ALA A 57 -5.456 -0.117 5.824 1.00 0.00 O ATOM 785 CB ALA A 57 -2.266 -0.316 4.572 1.00 0.00 C ATOM 0 H ALA A 57 -1.955 -2.364 5.952 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.076 0.238 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.681 0.547 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.243 -0.098 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.270 -1.179 3.906 1.00 0.00 H new ATOM 791 N GLY A 58 -4.793 -1.878 4.590 1.00 0.00 N ATOM 792 CA GLY A 58 -6.141 -2.187 4.149 1.00 0.00 C ATOM 793 C GLY A 58 -7.156 -2.080 5.269 1.00 0.00 C ATOM 794 O GLY A 58 -8.249 -1.547 5.077 1.00 0.00 O ATOM 0 H GLY A 58 -4.070 -2.500 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.421 -1.508 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.163 -3.196 3.738 1.00 0.00 H new ATOM 798 N ARG A 59 -6.796 -2.590 6.443 1.00 0.00 N ATOM 799 CA ARG A 59 -7.686 -2.552 7.597 1.00 0.00 C ATOM 800 C ARG A 59 -7.693 -1.164 8.232 1.00 0.00 C ATOM 801 O ARG A 59 -8.681 -0.756 8.843 1.00 0.00 O ATOM 802 CB ARG A 59 -7.259 -3.595 8.632 1.00 0.00 C ATOM 803 CG ARG A 59 -5.983 -3.231 9.373 1.00 0.00 C ATOM 804 CD ARG A 59 -5.689 -4.217 10.493 1.00 0.00 C ATOM 805 NE ARG A 59 -4.308 -4.120 10.958 1.00 0.00 N ATOM 806 CZ ARG A 59 -3.665 -5.113 11.563 1.00 0.00 C ATOM 807 NH1 ARG A 59 -4.276 -6.271 11.775 1.00 0.00 N ATOM 808 NH2 ARG A 59 -2.409 -4.949 11.957 1.00 0.00 N ATOM 0 H ARG A 59 -5.895 -3.034 6.619 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.695 -2.782 7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.064 -3.727 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.118 -4.554 8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.147 -3.213 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.075 -2.226 9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.366 -4.031 11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.884 -5.231 10.144 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.810 -3.242 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.242 -6.401 11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.780 -7.032 12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.936 -4.060 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.916 -5.712 12.421 1.00 0.00 H new ATOM 822 N ASP A 60 -6.586 -0.445 8.083 1.00 0.00 N ATOM 823 CA ASP A 60 -6.465 0.897 8.641 1.00 0.00 C ATOM 824 C ASP A 60 -7.623 1.780 8.188 1.00 0.00 C ATOM 825 O ASP A 60 -8.461 2.185 8.993 1.00 0.00 O ATOM 826 CB ASP A 60 -5.135 1.526 8.227 1.00 0.00 C ATOM 827 CG ASP A 60 -4.791 2.750 9.053 1.00 0.00 C ATOM 828 OD1 ASP A 60 -5.247 3.856 8.692 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.066 2.603 10.059 1.00 0.00 O ATOM 0 H ASP A 60 -5.760 -0.769 7.581 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.497 0.817 9.728 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.340 0.787 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.180 1.803 7.174 1.00 0.00 H new ATOM 834 N GLY A 61 -7.664 2.076 6.892 1.00 0.00 N ATOM 835 CA GLY A 61 -8.722 2.910 6.354 1.00 0.00 C ATOM 836 C GLY A 61 -8.204 4.229 5.815 1.00 0.00 C ATOM 837 O GLY A 61 -8.957 5.007 5.231 1.00 0.00 O ATOM 0 H GLY A 61 -6.983 1.753 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.235 2.372 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.459 3.104 7.133 1.00 0.00 H new ATOM 841 N ARG A 62 -6.914 4.481 6.013 1.00 0.00 N ATOM 842 CA ARG A 62 -6.296 5.715 5.544 1.00 0.00 C ATOM 843 C ARG A 62 -5.248 5.427 4.473 1.00 0.00 C ATOM 844 O ARG A 62 -4.713 6.344 3.849 1.00 0.00 O ATOM 845 CB ARG A 62 -5.654 6.465 6.713 1.00 0.00 C ATOM 846 CG ARG A 62 -6.497 6.460 7.977 1.00 0.00 C ATOM 847 CD ARG A 62 -7.515 7.590 7.973 1.00 0.00 C ATOM 848 NE ARG A 62 -8.663 7.289 7.122 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.709 8.097 6.987 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.750 9.248 7.643 1.00 0.00 N ATOM 851 NH2 ARG A 62 -10.716 7.753 6.194 1.00 0.00 N ATOM 0 H ARG A 62 -6.277 3.847 6.495 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.076 6.338 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.684 6.018 6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.469 7.497 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.013 5.504 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.849 6.556 8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.857 7.773 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.038 8.507 7.627 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.662 6.411 6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.977 9.515 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.554 9.867 7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.687 6.868 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.519 8.374 6.091 1.00 0.00 H new ATOM 865 N LEU A 63 -4.959 4.147 4.266 1.00 0.00 N ATOM 866 CA LEU A 63 -3.974 3.737 3.271 1.00 0.00 C ATOM 867 C LEU A 63 -4.635 2.951 2.143 1.00 0.00 C ATOM 868 O LEU A 63 -5.306 1.947 2.383 1.00 0.00 O ATOM 869 CB LEU A 63 -2.881 2.890 3.926 1.00 0.00 C ATOM 870 CG LEU A 63 -1.629 2.643 3.083 1.00 0.00 C ATOM 871 CD1 LEU A 63 -1.991 1.952 1.778 1.00 0.00 C ATOM 872 CD2 LEU A 63 -0.902 3.952 2.812 1.00 0.00 C ATOM 0 H LEU A 63 -5.392 3.376 4.773 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.524 4.635 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.580 3.376 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.310 1.925 4.196 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.961 1.988 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.087 1.785 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.466 0.995 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.679 2.580 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.014 3.757 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.563 4.631 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.608 4.407 3.758 1.00 0.00 H new ATOM 884 N ARG A 64 -4.438 3.413 0.913 1.00 0.00 N ATOM 885 CA ARG A 64 -5.014 2.753 -0.253 1.00 0.00 C ATOM 886 C ARG A 64 -4.224 3.090 -1.514 1.00 0.00 C ATOM 887 O ARG A 64 -3.614 4.155 -1.612 1.00 0.00 O ATOM 888 CB ARG A 64 -6.477 3.167 -0.429 1.00 0.00 C ATOM 889 CG ARG A 64 -6.703 4.666 -0.320 1.00 0.00 C ATOM 890 CD ARG A 64 -6.957 5.088 1.119 1.00 0.00 C ATOM 891 NE ARG A 64 -8.378 5.064 1.453 1.00 0.00 N ATOM 892 CZ ARG A 64 -8.921 5.809 2.410 1.00 0.00 C ATOM 893 NH1 ARG A 64 -8.164 6.633 3.122 1.00 0.00 N ATOM 894 NH2 ARG A 64 -10.222 5.732 2.655 1.00 0.00 N ATOM 0 H ARG A 64 -3.884 4.242 0.698 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.965 1.676 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.828 2.825 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.082 2.661 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.832 5.195 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.552 4.953 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.415 4.424 1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.564 6.092 1.277 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.987 4.441 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.163 6.696 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.583 7.204 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.807 5.100 2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.637 6.305 3.390 1.00 0.00 H new ATOM 908 N VAL A 65 -4.239 2.175 -2.477 1.00 0.00 N ATOM 909 CA VAL A 65 -3.525 2.374 -3.733 1.00 0.00 C ATOM 910 C VAL A 65 -3.961 3.667 -4.413 1.00 0.00 C ATOM 911 O VAL A 65 -5.062 3.756 -4.953 1.00 0.00 O ATOM 912 CB VAL A 65 -3.750 1.197 -4.700 1.00 0.00 C ATOM 913 CG1 VAL A 65 -5.147 0.621 -4.525 1.00 0.00 C ATOM 914 CG2 VAL A 65 -3.523 1.638 -6.138 1.00 0.00 C ATOM 0 H VAL A 65 -4.738 1.288 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.465 2.435 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.028 0.414 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.287 -0.210 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.268 0.266 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.888 1.394 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.686 0.794 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.219 2.439 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.500 1.998 -6.251 1.00 0.00 H new ATOM 924 N GLY A 66 -3.087 4.668 -4.384 1.00 0.00 N ATOM 925 CA GLY A 66 -3.399 5.944 -5.002 1.00 0.00 C ATOM 926 C GLY A 66 -2.785 7.114 -4.259 1.00 0.00 C ATOM 927 O GLY A 66 -2.539 8.170 -4.843 1.00 0.00 O ATOM 0 H GLY A 66 -2.168 4.618 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.040 5.943 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.481 6.070 -5.041 1.00 0.00 H new ATOM 931 N LEU A 67 -2.538 6.928 -2.967 1.00 0.00 N ATOM 932 CA LEU A 67 -1.950 7.978 -2.142 1.00 0.00 C ATOM 933 C LEU A 67 -0.485 8.200 -2.505 1.00 0.00 C ATOM 934 O LEU A 67 0.242 7.251 -2.798 1.00 0.00 O ATOM 935 CB LEU A 67 -2.071 7.617 -0.660 1.00 0.00 C ATOM 936 CG LEU A 67 -3.494 7.506 -0.111 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.537 6.548 1.069 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.018 8.877 0.293 1.00 0.00 C ATOM 0 H LEU A 67 -2.736 6.061 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.496 8.902 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.564 6.666 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.536 8.368 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.137 7.111 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.557 6.482 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.204 5.561 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.881 6.914 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.032 8.779 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.374 9.300 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.024 9.535 -0.576 1.00 0.00 H new ATOM 950 N ARG A 68 -0.059 9.458 -2.480 1.00 0.00 N ATOM 951 CA ARG A 68 1.319 9.804 -2.806 1.00 0.00 C ATOM 952 C ARG A 68 2.200 9.757 -1.561 1.00 0.00 C ATOM 953 O ARG A 68 2.044 10.566 -0.645 1.00 0.00 O ATOM 954 CB ARG A 68 1.383 11.197 -3.436 1.00 0.00 C ATOM 955 CG ARG A 68 2.777 11.596 -3.893 1.00 0.00 C ATOM 956 CD ARG A 68 2.792 13.002 -4.472 1.00 0.00 C ATOM 957 NE ARG A 68 4.143 13.439 -4.812 1.00 0.00 N ATOM 958 CZ ARG A 68 4.407 14.548 -5.494 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.417 15.328 -5.907 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.663 14.879 -5.765 1.00 0.00 N ATOM 0 H ARG A 68 -0.648 10.255 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 68 1.691 9.071 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.706 11.232 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.023 11.930 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.467 11.541 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.132 10.889 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.166 13.034 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.357 13.695 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 68 4.927 12.861 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.450 15.077 -5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.623 16.179 -6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.427 14.282 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.864 15.731 -6.289 1.00 0.00 H new ATOM 974 N LEU A 69 3.125 8.804 -1.533 1.00 0.00 N ATOM 975 CA LEU A 69 4.031 8.650 -0.400 1.00 0.00 C ATOM 976 C LEU A 69 4.948 9.862 -0.267 1.00 0.00 C ATOM 977 O LEU A 69 5.915 10.007 -1.016 1.00 0.00 O ATOM 978 CB LEU A 69 4.867 7.379 -0.559 1.00 0.00 C ATOM 979 CG LEU A 69 4.359 6.144 0.186 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.600 6.286 1.681 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.881 5.919 -0.099 1.00 0.00 C ATOM 0 H LEU A 69 3.267 8.126 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 69 3.430 8.571 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.928 7.139 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.881 7.591 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 69 4.913 5.275 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.232 5.398 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.668 6.397 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.073 7.165 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.537 5.036 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.311 6.789 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.735 5.771 -1.169 1.00 0.00 H new ATOM 993 N LEU A 70 4.640 10.729 0.691 1.00 0.00 N ATOM 994 CA LEU A 70 5.437 11.928 0.924 1.00 0.00 C ATOM 995 C LEU A 70 6.696 11.598 1.720 1.00 0.00 C ATOM 996 O LEU A 70 7.805 11.945 1.317 1.00 0.00 O ATOM 997 CB LEU A 70 4.610 12.978 1.666 1.00 0.00 C ATOM 998 CG LEU A 70 3.815 13.948 0.791 1.00 0.00 C ATOM 999 CD1 LEU A 70 4.672 14.456 -0.358 1.00 0.00 C ATOM 1000 CD2 LEU A 70 2.554 13.279 0.263 1.00 0.00 C ATOM 0 H LEU A 70 3.843 10.624 1.319 1.00 0.00 H new ATOM 0 HA LEU A 70 5.737 12.330 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.913 12.462 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.281 13.558 2.300 1.00 0.00 H new ATOM 0 HG LEU A 70 3.521 14.801 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.089 15.145 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.545 14.974 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.997 13.614 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.001 13.984 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.826 12.408 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.930 12.966 1.100 1.00 0.00 H new ATOM 1012 N GLU A 71 6.514 10.925 2.852 1.00 0.00 N ATOM 1013 CA GLU A 71 7.635 10.548 3.705 1.00 0.00 C ATOM 1014 C GLU A 71 7.283 9.336 4.563 1.00 0.00 C ATOM 1015 O GLU A 71 6.187 9.251 5.117 1.00 0.00 O ATOM 1016 CB GLU A 71 8.041 11.721 4.600 1.00 0.00 C ATOM 1017 CG GLU A 71 8.067 13.057 3.878 1.00 0.00 C ATOM 1018 CD GLU A 71 8.557 14.188 4.762 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.787 14.326 4.923 1.00 0.00 O ATOM 1020 OE2 GLU A 71 7.709 14.936 5.292 1.00 0.00 O ATOM 0 H GLU A 71 5.602 10.630 3.199 1.00 0.00 H new ATOM 0 HA GLU A 71 8.475 10.284 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.347 11.784 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.028 11.524 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.711 12.980 3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.065 13.291 3.517 1.00 0.00 H new ATOM 1027 N VAL A 72 8.221 8.400 4.667 1.00 0.00 N ATOM 1028 CA VAL A 72 8.012 7.193 5.458 1.00 0.00 C ATOM 1029 C VAL A 72 8.829 7.230 6.744 1.00 0.00 C ATOM 1030 O VAL A 72 10.055 7.136 6.715 1.00 0.00 O ATOM 1031 CB VAL A 72 8.385 5.929 4.661 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.250 4.689 5.532 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.521 5.811 3.415 1.00 0.00 C ATOM 0 H VAL A 72 9.133 8.454 4.213 1.00 0.00 H new ATOM 0 HA VAL A 72 6.951 7.157 5.707 1.00 0.00 H new ATOM 0 HB VAL A 72 9.426 6.012 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.518 3.806 4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.915 4.774 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.220 4.598 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.798 4.912 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.472 5.750 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.673 6.686 2.783 1.00 0.00 H new ATOM 1043 N ASN A 73 8.140 7.366 7.873 1.00 0.00 N ATOM 1044 CA ASN A 73 8.803 7.415 9.171 1.00 0.00 C ATOM 1045 C ASN A 73 9.684 8.655 9.286 1.00 0.00 C ATOM 1046 O ASN A 73 10.801 8.589 9.799 1.00 0.00 O ATOM 1047 CB ASN A 73 9.644 6.155 9.385 1.00 0.00 C ATOM 1048 CG ASN A 73 8.880 5.065 10.110 1.00 0.00 C ATOM 1049 OD1 ASN A 73 7.925 5.339 10.837 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.297 3.820 9.915 1.00 0.00 N ATOM 0 H ASN A 73 7.124 7.444 7.915 1.00 0.00 H new ATOM 0 HA ASN A 73 8.034 7.466 9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.980 5.778 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.537 6.410 9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.821 3.045 10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.093 3.639 9.304 1.00 0.00 H new ATOM 1057 N GLN A 74 9.173 9.784 8.805 1.00 0.00 N ATOM 1058 CA GLN A 74 9.914 11.039 8.854 1.00 0.00 C ATOM 1059 C GLN A 74 11.176 10.959 8.001 1.00 0.00 C ATOM 1060 O GLN A 74 12.178 11.607 8.299 1.00 0.00 O ATOM 1061 CB GLN A 74 10.281 11.383 10.299 1.00 0.00 C ATOM 1062 CG GLN A 74 9.085 11.758 11.158 1.00 0.00 C ATOM 1063 CD GLN A 74 9.329 11.519 12.635 1.00 0.00 C ATOM 1064 OE1 GLN A 74 9.726 12.427 13.365 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.092 10.291 13.083 1.00 0.00 N ATOM 0 H GLN A 74 8.250 9.855 8.377 1.00 0.00 H new ATOM 0 HA GLN A 74 9.275 11.825 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.788 10.529 10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.990 12.211 10.298 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.844 12.809 10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.218 11.180 10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.764 9.569 12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.238 10.070 14.068 1.00 0.00 H new ATOM 1074 N GLN A 75 11.117 10.161 6.940 1.00 0.00 N ATOM 1075 CA GLN A 75 12.256 9.997 6.045 1.00 0.00 C ATOM 1076 C GLN A 75 11.857 10.274 4.599 1.00 0.00 C ATOM 1077 O GLN A 75 11.436 9.371 3.877 1.00 0.00 O ATOM 1078 CB GLN A 75 12.828 8.583 6.166 1.00 0.00 C ATOM 1079 CG GLN A 75 13.167 8.184 7.594 1.00 0.00 C ATOM 1080 CD GLN A 75 14.293 7.171 7.665 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.106 7.065 6.747 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.345 6.420 8.759 1.00 0.00 N ATOM 0 H GLN A 75 10.294 9.618 6.679 1.00 0.00 H new ATOM 0 HA GLN A 75 13.021 10.717 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.108 7.873 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.727 8.510 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.447 9.073 8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.279 7.769 8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.650 6.542 9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.080 5.721 8.863 1.00 0.00 H new ATOM 1091 N SER A 76 11.993 11.529 4.184 1.00 0.00 N ATOM 1092 CA SER A 76 11.642 11.927 2.825 1.00 0.00 C ATOM 1093 C SER A 76 12.132 10.895 1.814 1.00 0.00 C ATOM 1094 O SER A 76 13.277 10.446 1.872 1.00 0.00 O ATOM 1095 CB SER A 76 12.240 13.297 2.502 1.00 0.00 C ATOM 1096 OG SER A 76 11.901 13.705 1.188 1.00 0.00 O ATOM 0 H SER A 76 12.344 12.288 4.769 1.00 0.00 H new ATOM 0 HA SER A 76 10.556 11.988 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.878 14.033 3.219 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.324 13.257 2.605 1.00 0.00 H new ATOM 0 HG SER A 76 12.294 14.584 1.007 1.00 0.00 H new ATOM 1102 N LEU A 77 11.255 10.522 0.887 1.00 0.00 N ATOM 1103 CA LEU A 77 11.596 9.543 -0.138 1.00 0.00 C ATOM 1104 C LEU A 77 12.231 10.220 -1.349 1.00 0.00 C ATOM 1105 O LEU A 77 12.371 9.612 -2.411 1.00 0.00 O ATOM 1106 CB LEU A 77 10.348 8.770 -0.568 1.00 0.00 C ATOM 1107 CG LEU A 77 9.463 8.242 0.561 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.333 7.392 0.002 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.290 7.443 1.558 1.00 0.00 C ATOM 0 H LEU A 77 10.303 10.883 0.825 1.00 0.00 H new ATOM 0 HA LEU A 77 12.319 8.847 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.744 9.419 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.662 7.926 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 77 9.026 9.094 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.714 7.025 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.724 7.994 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.750 6.546 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.644 7.075 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.756 6.599 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.063 8.082 1.984 1.00 0.00 H new ATOM 1121 N LEU A 78 12.615 11.480 -1.181 1.00 0.00 N ATOM 1122 CA LEU A 78 13.238 12.240 -2.259 1.00 0.00 C ATOM 1123 C LEU A 78 14.720 11.900 -2.380 1.00 0.00 C ATOM 1124 O LEU A 78 15.441 11.859 -1.384 1.00 0.00 O ATOM 1125 CB LEU A 78 13.066 13.741 -2.017 1.00 0.00 C ATOM 1126 CG LEU A 78 13.026 14.622 -3.266 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.341 14.532 -4.025 1.00 0.00 C ATOM 1128 CD2 LEU A 78 11.862 14.224 -4.162 1.00 0.00 C ATOM 0 H LEU A 78 12.506 11.997 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 78 12.745 11.969 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.143 13.895 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.884 14.082 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 78 12.881 15.656 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.294 15.165 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.156 14.866 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.517 13.499 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.849 14.861 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.976 13.184 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.926 14.341 -3.616 1.00 0.00 H new ATOM 1140 N GLY A 79 15.168 11.657 -3.608 1.00 0.00 N ATOM 1141 CA GLY A 79 16.562 11.326 -3.837 1.00 0.00 C ATOM 1142 C GLY A 79 16.779 9.839 -4.037 1.00 0.00 C ATOM 1143 O GLY A 79 17.624 9.429 -4.834 1.00 0.00 O ATOM 0 H GLY A 79 14.590 11.684 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.921 11.864 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.157 11.666 -2.990 1.00 0.00 H new ATOM 1147 N LEU A 80 16.016 9.029 -3.312 1.00 0.00 N ATOM 1148 CA LEU A 80 16.130 7.578 -3.412 1.00 0.00 C ATOM 1149 C LEU A 80 15.247 7.038 -4.533 1.00 0.00 C ATOM 1150 O LEU A 80 14.271 7.675 -4.931 1.00 0.00 O ATOM 1151 CB LEU A 80 15.743 6.924 -2.084 1.00 0.00 C ATOM 1152 CG LEU A 80 14.527 7.516 -1.373 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.814 6.449 -0.556 1.00 0.00 C ATOM 1154 CD2 LEU A 80 14.942 8.681 -0.486 1.00 0.00 C ATOM 0 H LEU A 80 15.312 9.352 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 80 17.167 7.335 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.553 5.866 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.598 6.984 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 80 13.835 7.889 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.951 6.889 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.482 5.647 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.498 6.045 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.063 9.090 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.654 8.333 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.406 9.456 -1.096 1.00 0.00 H new ATOM 1166 N THR A 81 15.596 5.859 -5.038 1.00 0.00 N ATOM 1167 CA THR A 81 14.835 5.233 -6.113 1.00 0.00 C ATOM 1168 C THR A 81 13.762 4.304 -5.558 1.00 0.00 C ATOM 1169 O THR A 81 13.589 4.194 -4.343 1.00 0.00 O ATOM 1170 CB THR A 81 15.752 4.433 -7.057 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.250 3.270 -6.388 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.917 5.288 -7.533 1.00 0.00 C ATOM 0 H THR A 81 16.400 5.318 -4.720 1.00 0.00 H new ATOM 0 HA THR A 81 14.360 6.037 -6.675 1.00 0.00 H new ATOM 0 HB THR A 81 15.166 4.129 -7.925 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.831 2.766 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.551 4.702 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.535 6.157 -8.068 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.501 5.618 -6.674 1.00 0.00 H new ATOM 1180 N HIS A 82 13.043 3.635 -6.454 1.00 0.00 N ATOM 1181 CA HIS A 82 11.987 2.713 -6.053 1.00 0.00 C ATOM 1182 C HIS A 82 12.500 1.716 -5.018 1.00 0.00 C ATOM 1183 O HIS A 82 11.946 1.600 -3.925 1.00 0.00 O ATOM 1184 CB HIS A 82 11.442 1.967 -7.271 1.00 0.00 C ATOM 1185 CG HIS A 82 10.039 1.475 -7.094 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.663 0.170 -7.332 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.917 2.122 -6.698 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.370 0.036 -7.092 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.895 1.206 -6.706 1.00 0.00 N ATOM 0 H HIS A 82 13.173 3.714 -7.463 1.00 0.00 H new ATOM 0 HA HIS A 82 11.182 3.295 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.480 2.627 -8.138 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.091 1.119 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.841 3.165 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.799 -0.875 -7.194 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.925 1.398 -6.454 1.00 0.00 H new ATOM 1198 N GLY A 83 13.562 0.998 -5.370 1.00 0.00 N ATOM 1199 CA GLY A 83 14.130 0.020 -4.462 1.00 0.00 C ATOM 1200 C GLY A 83 14.449 0.608 -3.102 1.00 0.00 C ATOM 1201 O GLY A 83 14.044 0.066 -2.074 1.00 0.00 O ATOM 0 H GLY A 83 14.039 1.077 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.431 -0.808 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.040 -0.391 -4.899 1.00 0.00 H new ATOM 1205 N GLU A 84 15.179 1.720 -3.096 1.00 0.00 N ATOM 1206 CA GLU A 84 15.554 2.380 -1.851 1.00 0.00 C ATOM 1207 C GLU A 84 14.316 2.770 -1.048 1.00 0.00 C ATOM 1208 O GLU A 84 14.250 2.545 0.160 1.00 0.00 O ATOM 1209 CB GLU A 84 16.399 3.622 -2.141 1.00 0.00 C ATOM 1210 CG GLU A 84 17.872 3.318 -2.357 1.00 0.00 C ATOM 1211 CD GLU A 84 18.592 2.969 -1.069 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.527 1.792 -0.654 1.00 0.00 O ATOM 1213 OE2 GLU A 84 19.218 3.871 -0.475 1.00 0.00 O ATOM 0 H GLU A 84 15.522 2.182 -3.938 1.00 0.00 H new ATOM 0 HA GLU A 84 16.143 1.678 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.006 4.120 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.299 4.321 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.969 2.489 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.354 4.182 -2.815 1.00 0.00 H new ATOM 1220 N ALA A 85 13.337 3.358 -1.729 1.00 0.00 N ATOM 1221 CA ALA A 85 12.101 3.778 -1.080 1.00 0.00 C ATOM 1222 C ALA A 85 11.408 2.601 -0.404 1.00 0.00 C ATOM 1223 O ALA A 85 11.026 2.679 0.764 1.00 0.00 O ATOM 1224 CB ALA A 85 11.171 4.431 -2.092 1.00 0.00 C ATOM 0 H ALA A 85 13.376 3.554 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 85 12.353 4.507 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.252 4.740 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.660 5.303 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.934 3.718 -2.882 1.00 0.00 H new ATOM 1230 N VAL A 86 11.248 1.509 -1.145 1.00 0.00 N ATOM 1231 CA VAL A 86 10.601 0.314 -0.616 1.00 0.00 C ATOM 1232 C VAL A 86 11.252 -0.132 0.688 1.00 0.00 C ATOM 1233 O VAL A 86 10.586 -0.250 1.717 1.00 0.00 O ATOM 1234 CB VAL A 86 10.653 -0.847 -1.627 1.00 0.00 C ATOM 1235 CG1 VAL A 86 10.206 -2.145 -0.973 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.799 -0.532 -2.845 1.00 0.00 C ATOM 0 H VAL A 86 11.558 1.427 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 86 9.560 0.575 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 86 11.684 -0.971 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.249 -2.954 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.864 -2.376 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.183 -2.037 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.848 -1.363 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.765 -0.379 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.171 0.373 -3.326 1.00 0.00 H new ATOM 1246 N GLN A 87 12.557 -0.378 0.638 1.00 0.00 N ATOM 1247 CA GLN A 87 13.298 -0.812 1.816 1.00 0.00 C ATOM 1248 C GLN A 87 13.051 0.129 2.991 1.00 0.00 C ATOM 1249 O GLN A 87 13.221 -0.251 4.150 1.00 0.00 O ATOM 1250 CB GLN A 87 14.794 -0.880 1.507 1.00 0.00 C ATOM 1251 CG GLN A 87 15.141 -1.849 0.389 1.00 0.00 C ATOM 1252 CD GLN A 87 14.558 -3.231 0.613 1.00 0.00 C ATOM 1253 OE1 GLN A 87 13.430 -3.509 -0.031 1.00 0.00 O flip ATOM 1254 NE2 GLN A 87 15.114 -4.040 1.356 1.00 0.00 N flip ATOM 0 H GLN A 87 13.123 -0.284 -0.205 1.00 0.00 H new ATOM 0 HA GLN A 87 12.946 -1.806 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.146 0.115 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.330 -1.173 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.773 -1.453 -0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.225 -1.926 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.980 -3.785 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.709 -4.966 1.496 1.00 0.00 H new ATOM 1263 N LEU A 88 12.651 1.358 2.684 1.00 0.00 N ATOM 1264 CA LEU A 88 12.381 2.354 3.715 1.00 0.00 C ATOM 1265 C LEU A 88 11.013 2.124 4.350 1.00 0.00 C ATOM 1266 O LEU A 88 10.791 2.466 5.512 1.00 0.00 O ATOM 1267 CB LEU A 88 12.449 3.762 3.121 1.00 0.00 C ATOM 1268 CG LEU A 88 12.903 4.870 4.072 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.953 6.207 3.349 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.980 4.949 5.279 1.00 0.00 C ATOM 0 H LEU A 88 12.507 1.689 1.730 1.00 0.00 H new ATOM 0 HA LEU A 88 13.142 2.255 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.127 3.742 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.462 4.021 2.738 1.00 0.00 H new ATOM 0 HG LEU A 88 13.907 4.632 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.278 6.983 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.655 6.145 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.961 6.452 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.319 5.743 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.964 5.163 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.995 3.998 5.811 1.00 0.00 H new ATOM 1282 N LEU A 89 10.100 1.540 3.582 1.00 0.00 N ATOM 1283 CA LEU A 89 8.754 1.261 4.070 1.00 0.00 C ATOM 1284 C LEU A 89 8.721 -0.044 4.860 1.00 0.00 C ATOM 1285 O LEU A 89 7.874 -0.230 5.734 1.00 0.00 O ATOM 1286 CB LEU A 89 7.771 1.188 2.900 1.00 0.00 C ATOM 1287 CG LEU A 89 7.558 -0.198 2.289 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.609 -1.020 3.147 1.00 0.00 C ATOM 1289 CD2 LEU A 89 7.026 -0.077 0.868 1.00 0.00 C ATOM 0 H LEU A 89 10.267 1.250 2.618 1.00 0.00 H new ATOM 0 HA LEU A 89 8.459 2.073 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.806 1.567 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.120 1.859 2.116 1.00 0.00 H new ATOM 0 HG LEU A 89 8.519 -0.711 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.470 -2.003 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.029 -1.135 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.647 -0.512 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.880 -1.072 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.075 0.455 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.742 0.473 0.257 1.00 0.00 H new ATOM 1301 N ARG A 90 9.649 -0.942 4.547 1.00 0.00 N ATOM 1302 CA ARG A 90 9.726 -2.229 5.228 1.00 0.00 C ATOM 1303 C ARG A 90 10.726 -2.176 6.379 1.00 0.00 C ATOM 1304 O ARG A 90 10.948 -3.171 7.069 1.00 0.00 O ATOM 1305 CB ARG A 90 10.125 -3.329 4.243 1.00 0.00 C ATOM 1306 CG ARG A 90 11.335 -2.976 3.394 1.00 0.00 C ATOM 1307 CD ARG A 90 11.879 -4.195 2.665 1.00 0.00 C ATOM 1308 NE ARG A 90 11.050 -4.563 1.520 1.00 0.00 N ATOM 1309 CZ ARG A 90 11.181 -5.706 0.855 1.00 0.00 C ATOM 1310 NH1 ARG A 90 12.102 -6.587 1.219 1.00 0.00 N ATOM 1311 NH2 ARG A 90 10.388 -5.969 -0.176 1.00 0.00 N ATOM 0 H ARG A 90 10.358 -0.802 3.827 1.00 0.00 H new ATOM 0 HA ARG A 90 8.740 -2.455 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.335 -4.243 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.281 -3.541 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.061 -2.209 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.114 -2.552 4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.895 -3.992 2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.936 -5.036 3.357 1.00 0.00 H new ATOM 0 HE ARG A 90 10.331 -3.907 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.713 -6.388 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.200 -7.463 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.678 -5.294 -0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.489 -6.846 -0.686 1.00 0.00 H new ATOM 1325 N SER A 91 11.328 -1.007 6.580 1.00 0.00 N ATOM 1326 CA SER A 91 12.308 -0.825 7.644 1.00 0.00 C ATOM 1327 C SER A 91 11.656 -0.226 8.886 1.00 0.00 C ATOM 1328 O SER A 91 12.279 0.542 9.620 1.00 0.00 O ATOM 1329 CB SER A 91 13.448 0.076 7.167 1.00 0.00 C ATOM 1330 OG SER A 91 14.478 0.154 8.139 1.00 0.00 O ATOM 0 H SER A 91 11.154 -0.173 6.020 1.00 0.00 H new ATOM 0 HA SER A 91 12.712 -1.803 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.854 -0.310 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.064 1.075 6.959 1.00 0.00 H new ATOM 0 HG SER A 91 14.087 0.353 9.015 1.00 0.00 H new ATOM 1336 N VAL A 92 10.396 -0.582 9.116 1.00 0.00 N ATOM 1337 CA VAL A 92 9.658 -0.081 10.269 1.00 0.00 C ATOM 1338 C VAL A 92 9.373 -1.198 11.267 1.00 0.00 C ATOM 1339 O VAL A 92 9.149 -2.345 10.883 1.00 0.00 O ATOM 1340 CB VAL A 92 8.326 0.566 9.845 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.601 -0.314 8.839 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.452 0.831 11.062 1.00 0.00 C ATOM 0 H VAL A 92 9.865 -1.216 8.519 1.00 0.00 H new ATOM 0 HA VAL A 92 10.286 0.674 10.743 1.00 0.00 H new ATOM 0 HB VAL A 92 8.542 1.521 9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.662 0.160 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.226 -0.448 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.395 -1.286 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.515 1.288 10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.242 -0.110 11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.972 1.505 11.743 1.00 0.00 H new ATOM 1352 N GLY A 93 9.382 -0.854 12.551 1.00 0.00 N ATOM 1353 CA GLY A 93 9.123 -1.839 13.585 1.00 0.00 C ATOM 1354 C GLY A 93 7.714 -2.394 13.516 1.00 0.00 C ATOM 1355 O GLY A 93 7.424 -3.271 12.702 1.00 0.00 O ATOM 0 H GLY A 93 9.564 0.089 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.837 -2.657 13.491 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.284 -1.386 14.563 1.00 0.00 H new ATOM 1359 N ASP A 94 6.836 -1.884 14.374 1.00 0.00 N ATOM 1360 CA ASP A 94 5.450 -2.334 14.408 1.00 0.00 C ATOM 1361 C ASP A 94 4.507 -1.227 13.946 1.00 0.00 C ATOM 1362 O ASP A 94 3.293 -1.420 13.874 1.00 0.00 O ATOM 1363 CB ASP A 94 5.073 -2.786 15.819 1.00 0.00 C ATOM 1364 CG ASP A 94 5.095 -1.646 16.818 1.00 0.00 C ATOM 1365 OD1 ASP A 94 5.919 -0.723 16.647 1.00 0.00 O ATOM 1366 OD2 ASP A 94 4.288 -1.675 17.770 1.00 0.00 O ATOM 0 H ASP A 94 7.060 -1.159 15.055 1.00 0.00 H new ATOM 0 HA ASP A 94 5.351 -3.178 13.726 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.078 -3.230 15.801 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.764 -3.564 16.145 1.00 0.00 H new ATOM 1371 N THR A 95 5.074 -0.066 13.634 1.00 0.00 N ATOM 1372 CA THR A 95 4.285 1.073 13.181 1.00 0.00 C ATOM 1373 C THR A 95 5.165 2.116 12.501 1.00 0.00 C ATOM 1374 O THR A 95 6.252 2.436 12.984 1.00 0.00 O ATOM 1375 CB THR A 95 3.533 1.735 14.351 1.00 0.00 C ATOM 1376 OG1 THR A 95 2.793 0.749 15.079 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.587 2.814 13.844 1.00 0.00 C ATOM 0 H THR A 95 6.077 0.110 13.687 1.00 0.00 H new ATOM 0 HA THR A 95 3.560 0.690 12.463 1.00 0.00 H new ATOM 0 HB THR A 95 4.267 2.197 15.011 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.609 -0.018 14.497 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.067 3.268 14.688 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.157 3.578 13.315 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.859 2.370 13.165 1.00 0.00 H new ATOM 1385 N LEU A 96 4.688 2.644 11.379 1.00 0.00 N ATOM 1386 CA LEU A 96 5.432 3.653 10.633 1.00 0.00 C ATOM 1387 C LEU A 96 4.640 4.953 10.539 1.00 0.00 C ATOM 1388 O LEU A 96 3.445 4.989 10.832 1.00 0.00 O ATOM 1389 CB LEU A 96 5.759 3.139 9.230 1.00 0.00 C ATOM 1390 CG LEU A 96 4.738 3.466 8.140 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.329 3.215 6.761 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.470 2.648 8.335 1.00 0.00 C ATOM 0 H LEU A 96 3.790 2.391 10.966 1.00 0.00 H new ATOM 0 HA LEU A 96 6.362 3.853 11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.724 3.548 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.874 2.056 9.279 1.00 0.00 H new ATOM 0 HG LEU A 96 4.481 4.523 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.587 3.453 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.208 3.844 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.616 2.167 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.754 2.894 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.711 1.586 8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.035 2.878 9.308 1.00 0.00 H new ATOM 1404 N THR A 97 5.315 6.022 10.125 1.00 0.00 N ATOM 1405 CA THR A 97 4.675 7.325 9.991 1.00 0.00 C ATOM 1406 C THR A 97 4.660 7.783 8.537 1.00 0.00 C ATOM 1407 O THR A 97 5.636 8.349 8.044 1.00 0.00 O ATOM 1408 CB THR A 97 5.386 8.390 10.846 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.789 7.825 12.098 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.474 9.583 11.092 1.00 0.00 C ATOM 0 H THR A 97 6.304 6.010 9.877 1.00 0.00 H new ATOM 0 HA THR A 97 3.650 7.212 10.344 1.00 0.00 H new ATOM 0 HB THR A 97 6.267 8.732 10.303 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.242 8.509 12.635 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.998 10.322 11.698 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.193 10.029 10.138 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.577 9.253 11.616 1.00 0.00 H new ATOM 1418 N VAL A 98 3.547 7.535 7.854 1.00 0.00 N ATOM 1419 CA VAL A 98 3.405 7.924 6.456 1.00 0.00 C ATOM 1420 C VAL A 98 2.745 9.292 6.331 1.00 0.00 C ATOM 1421 O VAL A 98 1.731 9.566 6.974 1.00 0.00 O ATOM 1422 CB VAL A 98 2.575 6.892 5.668 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.098 5.485 5.915 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.104 6.996 6.041 1.00 0.00 C ATOM 0 H VAL A 98 2.730 7.066 8.246 1.00 0.00 H new ATOM 0 HA VAL A 98 4.410 7.969 6.036 1.00 0.00 H new ATOM 0 HB VAL A 98 2.673 7.108 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.500 4.770 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.138 5.422 5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.032 5.254 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.532 6.260 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.985 6.806 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.739 7.996 5.808 1.00 0.00 H new ATOM 1434 N LEU A 99 3.327 10.149 5.499 1.00 0.00 N ATOM 1435 CA LEU A 99 2.796 11.491 5.288 1.00 0.00 C ATOM 1436 C LEU A 99 2.049 11.579 3.961 1.00 0.00 C ATOM 1437 O LEU A 99 1.947 12.650 3.363 1.00 0.00 O ATOM 1438 CB LEU A 99 3.928 12.520 5.318 1.00 0.00 C ATOM 1439 CG LEU A 99 3.501 13.985 5.413 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.683 14.222 6.673 1.00 0.00 C ATOM 1441 CD2 LEU A 99 4.718 14.898 5.385 1.00 0.00 C ATOM 0 H LEU A 99 4.167 9.938 4.960 1.00 0.00 H new ATOM 0 HA LEU A 99 2.095 11.708 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.574 12.295 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.529 12.395 4.417 1.00 0.00 H new ATOM 0 HG LEU A 99 2.877 14.218 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.388 15.270 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.792 13.595 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.282 13.971 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.395 15.937 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.368 14.664 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.264 14.748 4.453 1.00 0.00 H new ATOM 1453 N VAL A 100 1.526 10.445 3.506 1.00 0.00 N ATOM 1454 CA VAL A 100 0.785 10.393 2.251 1.00 0.00 C ATOM 1455 C VAL A 100 -0.437 11.304 2.297 1.00 0.00 C ATOM 1456 O VAL A 100 -0.714 11.937 3.316 1.00 0.00 O ATOM 1457 CB VAL A 100 0.331 8.958 1.926 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.444 7.965 2.224 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.929 8.609 2.705 1.00 0.00 C ATOM 0 H VAL A 100 1.602 9.549 3.988 1.00 0.00 H new ATOM 0 HA VAL A 100 1.462 10.737 1.469 1.00 0.00 H new ATOM 0 HB VAL A 100 0.101 8.900 0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.105 6.956 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.318 8.205 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.709 8.021 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.236 7.591 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.728 8.683 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.726 9.302 2.437 1.00 0.00 H new ATOM 1469 N CYS A 101 -1.164 11.364 1.187 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.358 12.198 1.100 1.00 0.00 C ATOM 1471 C CYS A 101 -3.115 11.930 -0.197 1.00 0.00 C ATOM 1472 O CYS A 101 -2.512 11.643 -1.231 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.979 13.677 1.187 1.00 0.00 C ATOM 1474 SG CYS A 101 -1.469 14.403 -0.389 1.00 0.00 S ATOM 0 H CYS A 101 -0.948 10.846 0.335 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.009 11.947 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.830 14.237 1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -1.168 13.792 1.907 1.00 0.00 H new ATOM 0 HG CYS A 101 -1.514 13.496 -1.319 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.438 12.023 -0.133 1.00 0.00 N ATOM 1481 CA ASP A 102 -5.278 11.790 -1.302 1.00 0.00 C ATOM 1482 C ASP A 102 -4.625 12.349 -2.561 1.00 0.00 C ATOM 1483 O ASP A 102 -4.524 13.563 -2.734 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.655 12.425 -1.102 1.00 0.00 C ATOM 1485 CG ASP A 102 -7.258 12.089 0.248 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -6.945 11.005 0.783 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -8.043 12.908 0.769 1.00 0.00 O ATOM 0 H ASP A 102 -4.952 12.258 0.716 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.397 10.713 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.570 13.507 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.326 12.086 -1.891 1.00 0.00 H new ATOM 1492 N GLY A 103 -4.180 11.454 -3.439 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.540 11.878 -4.671 1.00 0.00 C ATOM 1494 C GLY A 103 -4.449 11.734 -5.875 1.00 0.00 C ATOM 1495 O GLY A 103 -4.606 12.670 -6.659 1.00 0.00 O ATOM 0 H GLY A 103 -4.251 10.444 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.230 12.919 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.637 11.289 -4.829 1.00 0.00 H new ATOM 1499 N PHE A 104 -5.049 10.557 -6.025 1.00 0.00 N ATOM 1500 CA PHE A 104 -5.945 10.293 -7.144 1.00 0.00 C ATOM 1501 C PHE A 104 -6.712 8.991 -6.932 1.00 0.00 C ATOM 1502 O PHE A 104 -6.119 7.915 -6.857 1.00 0.00 O ATOM 1503 CB PHE A 104 -5.154 10.224 -8.453 1.00 0.00 C ATOM 1504 CG PHE A 104 -3.809 9.573 -8.307 1.00 0.00 C ATOM 1505 CD1 PHE A 104 -3.667 8.203 -8.461 1.00 0.00 C ATOM 1506 CD2 PHE A 104 -2.686 10.330 -8.014 1.00 0.00 C ATOM 1507 CE1 PHE A 104 -2.430 7.600 -8.328 1.00 0.00 C ATOM 1508 CE2 PHE A 104 -1.447 9.733 -7.880 1.00 0.00 C ATOM 1509 CZ PHE A 104 -1.319 8.366 -8.036 1.00 0.00 C ATOM 0 H PHE A 104 -4.930 9.771 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.662 11.111 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.737 9.674 -9.192 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.020 11.234 -8.841 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.533 7.599 -8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.780 11.399 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.333 6.532 -8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.579 10.335 -7.653 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.352 7.898 -7.930 1.00 0.00 H new ATOM 1519 N GLU A 105 -8.033 9.099 -6.834 1.00 0.00 N ATOM 1520 CA GLU A 105 -8.881 7.931 -6.629 1.00 0.00 C ATOM 1521 C GLU A 105 -8.610 6.868 -7.689 1.00 0.00 C ATOM 1522 O GLU A 105 -8.184 5.756 -7.375 1.00 0.00 O ATOM 1523 CB GLU A 105 -10.357 8.332 -6.659 1.00 0.00 C ATOM 1524 CG GLU A 105 -10.886 8.811 -5.318 1.00 0.00 C ATOM 1525 CD GLU A 105 -12.401 8.798 -5.249 1.00 0.00 C ATOM 1526 OE1 GLU A 105 -13.002 7.769 -5.625 1.00 0.00 O ATOM 1527 OE2 GLU A 105 -12.985 9.815 -4.820 1.00 0.00 O ATOM 0 H GLU A 105 -8.539 9.983 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.646 7.512 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.495 9.122 -7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.950 7.479 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.485 8.178 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.526 9.823 -5.130 1.00 0.00 H new ATOM 1534 N SER A 106 -8.859 7.218 -8.947 1.00 0.00 N ATOM 1535 CA SER A 106 -8.646 6.294 -10.054 1.00 0.00 C ATOM 1536 C SER A 106 -9.415 4.994 -9.833 1.00 0.00 C ATOM 1537 O SER A 106 -8.903 3.906 -10.092 1.00 0.00 O ATOM 1538 CB SER A 106 -7.155 5.996 -10.218 1.00 0.00 C ATOM 1539 OG SER A 106 -6.883 5.436 -11.492 1.00 0.00 O ATOM 0 H SER A 106 -9.209 8.135 -9.225 1.00 0.00 H new ATOM 0 HA SER A 106 -9.017 6.765 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.581 6.914 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.831 5.307 -9.438 1.00 0.00 H new ATOM 0 HG SER A 106 -7.430 4.633 -11.620 1.00 0.00 H new ATOM 1545 N GLY A 107 -10.648 5.118 -9.351 1.00 0.00 N ATOM 1546 CA GLY A 107 -11.468 3.947 -9.102 1.00 0.00 C ATOM 1547 C GLY A 107 -12.289 3.546 -10.312 1.00 0.00 C ATOM 1548 O GLY A 107 -13.002 4.358 -10.902 1.00 0.00 O ATOM 0 H GLY A 107 -11.093 6.008 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.828 3.115 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.136 4.146 -8.264 1.00 0.00 H new ATOM 1552 N PRO A 108 -12.191 2.265 -10.700 1.00 0.00 N ATOM 1553 CA PRO A 108 -12.923 1.729 -11.852 1.00 0.00 C ATOM 1554 C PRO A 108 -14.423 1.640 -11.595 1.00 0.00 C ATOM 1555 O PRO A 108 -14.880 1.804 -10.464 1.00 0.00 O ATOM 1556 CB PRO A 108 -12.327 0.331 -12.031 1.00 0.00 C ATOM 1557 CG PRO A 108 -11.819 -0.040 -10.681 1.00 0.00 C ATOM 1558 CD PRO A 108 -11.360 1.242 -10.044 1.00 0.00 C ATOM 0 HA PRO A 108 -12.823 2.366 -12.731 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.078 -0.378 -12.380 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -11.525 0.334 -12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.601 -0.513 -10.086 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.999 -0.754 -10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.513 1.232 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -10.298 1.417 -10.214 1.00 0.00 H new ATOM 1566 N SER A 109 -15.185 1.379 -12.652 1.00 0.00 N ATOM 1567 CA SER A 109 -16.635 1.271 -12.541 1.00 0.00 C ATOM 1568 C SER A 109 -17.080 -0.186 -12.627 1.00 0.00 C ATOM 1569 O SER A 109 -16.867 -0.853 -13.640 1.00 0.00 O ATOM 1570 CB SER A 109 -17.315 2.089 -13.642 1.00 0.00 C ATOM 1571 OG SER A 109 -18.724 1.955 -13.580 1.00 0.00 O ATOM 0 H SER A 109 -14.823 1.238 -13.595 1.00 0.00 H new ATOM 0 HA SER A 109 -16.930 1.666 -11.569 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.042 3.139 -13.541 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.958 1.759 -14.618 1.00 0.00 H new ATOM 0 HG SER A 109 -19.135 2.488 -14.292 1.00 0.00 H new ATOM 1577 N SER A 110 -17.698 -0.674 -11.556 1.00 0.00 N ATOM 1578 CA SER A 110 -18.170 -2.053 -11.507 1.00 0.00 C ATOM 1579 C SER A 110 -19.693 -2.108 -11.565 1.00 0.00 C ATOM 1580 O SER A 110 -20.379 -1.306 -10.933 1.00 0.00 O ATOM 1581 CB SER A 110 -17.671 -2.740 -10.235 1.00 0.00 C ATOM 1582 OG SER A 110 -18.407 -2.312 -9.102 1.00 0.00 O ATOM 0 H SER A 110 -17.884 -0.135 -10.710 1.00 0.00 H new ATOM 0 HA SER A 110 -17.772 -2.579 -12.375 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.760 -3.821 -10.343 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.613 -2.520 -10.090 1.00 0.00 H new ATOM 0 HG SER A 110 -18.070 -2.767 -8.302 1.00 0.00 H new ATOM 1588 N GLY A 111 -20.216 -3.062 -12.330 1.00 0.00 N ATOM 1589 CA GLY A 111 -21.655 -3.206 -12.457 1.00 0.00 C ATOM 1590 C GLY A 111 -22.045 -4.199 -13.534 1.00 0.00 C ATOM 1591 O GLY A 111 -23.045 -4.904 -13.404 1.00 0.00 O ATOM 0 H GLY A 111 -19.669 -3.737 -12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -22.071 -3.528 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -22.096 -2.235 -12.685 1.00 0.00 H new TER 1595 GLY A 111