USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 63 GLN : amide:sc= -2.44! C(o=-2.4!,f=-5.4!) USER MOD Set 1.2: A 96 THR OG1 : rot -69:sc= 0.0483 USER MOD Set 2.1: A 56 SER OG : rot -47:sc= 1.12 USER MOD Set 2.2: A 100 TYR OH : rot 90:sc= 0.392 USER MOD Set 3.1: A 41 SER OG : rot -177:sc= 0.0572 USER MOD Set 3.2: A 69 THR OG1 : rot 175:sc= -3.97! USER MOD Set 4.1: A 33 ASN : amide:sc= -0.264 X(o=-3,f=-2.9) USER MOD Set 4.2: A 42 SER OG : rot 169:sc= -2.73! USER MOD Single : A 17 ASN : amide:sc= -2.56! C(o=-2.6!,f=-9.9!) USER MOD Single : A 22 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.0095) USER MOD Single : A 26 GLN : amide:sc= -0.0992 X(o=-0.099,f=0) USER MOD Single : A 32 TYR OH : rot -15:sc= -0.0237 USER MOD Single : A 36 SER OG : rot -79:sc= -3.93! USER MOD Single : A 37 ASN : amide:sc= -2.26! K(o=-2.3!,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 63:sc= 0.0644 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.08! C(o=-2.1!,f=-6.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.42! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.64) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0619 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -138:sc= -1.12! USER MOD Single : A 106 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.2!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 109 LYS NZ :NH3+ 160:sc= -0.0479 (180deg=-0.429) USER MOD Single : A 113 SER OG : rot -37:sc= 0.737 USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.268) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -14.043 9.478 19.212 1.00 0.00 N ATOM 2 CA GLY A 9 -13.088 8.427 18.758 1.00 0.00 C ATOM 3 C GLY A 9 -11.930 9.082 18.003 1.00 0.00 C ATOM 4 O GLY A 9 -10.780 8.945 18.370 1.00 0.00 O ATOM 0 HA2 GLY A 9 -12.709 7.870 19.615 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.598 7.711 18.113 1.00 0.00 H new ATOM 7 N ALA A 10 -12.223 9.793 16.949 1.00 0.00 N ATOM 8 CA ALA A 10 -11.139 10.454 16.169 1.00 0.00 C ATOM 9 C ALA A 10 -10.173 9.392 15.637 1.00 0.00 C ATOM 10 O ALA A 10 -10.276 8.232 15.983 1.00 0.00 O ATOM 11 CB ALA A 10 -10.380 11.425 17.077 1.00 0.00 C ATOM 0 H ALA A 10 -13.167 9.945 16.594 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.573 11.001 15.332 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.586 11.910 16.509 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.068 12.181 17.457 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.945 10.877 17.913 1.00 0.00 H new ATOM 17 N PRO A 11 -9.262 9.827 14.807 1.00 0.00 N ATOM 18 CA PRO A 11 -8.231 8.949 14.182 1.00 0.00 C ATOM 19 C PRO A 11 -7.060 8.726 15.143 1.00 0.00 C ATOM 20 O PRO A 11 -6.550 9.656 15.736 1.00 0.00 O ATOM 21 CB PRO A 11 -7.794 9.751 12.962 1.00 0.00 C ATOM 22 CG PRO A 11 -8.104 11.217 13.255 1.00 0.00 C ATOM 23 CD PRO A 11 -9.139 11.258 14.385 1.00 0.00 C ATOM 0 HA PRO A 11 -8.600 7.955 13.930 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.730 9.613 12.771 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.324 9.416 12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.198 11.748 13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.491 11.712 12.364 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.808 11.891 15.208 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.093 11.657 14.040 1.00 0.00 H new ATOM 31 N VAL A 12 -6.630 7.503 15.302 1.00 0.00 N ATOM 32 CA VAL A 12 -5.505 7.223 16.215 1.00 0.00 C ATOM 33 C VAL A 12 -4.388 6.583 15.393 1.00 0.00 C ATOM 34 O VAL A 12 -4.663 5.849 14.474 1.00 0.00 O ATOM 35 CB VAL A 12 -5.994 6.227 17.269 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.798 5.662 18.020 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.963 6.895 18.261 1.00 0.00 C ATOM 0 H VAL A 12 -7.018 6.686 14.831 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.143 8.131 16.698 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.530 5.424 16.763 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.143 4.952 18.772 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.135 5.155 17.319 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.258 6.474 18.508 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.293 6.162 18.997 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.456 7.716 18.768 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.828 7.281 17.721 1.00 0.00 H new ATOM 47 N PRO A 13 -3.167 6.876 15.731 1.00 0.00 N ATOM 48 CA PRO A 13 -1.985 6.330 15.015 1.00 0.00 C ATOM 49 C PRO A 13 -1.588 4.970 15.587 1.00 0.00 C ATOM 50 O PRO A 13 -1.892 4.639 16.715 1.00 0.00 O ATOM 51 CB PRO A 13 -0.912 7.374 15.289 1.00 0.00 C ATOM 52 CG PRO A 13 -1.309 8.098 16.576 1.00 0.00 C ATOM 53 CD PRO A 13 -2.786 7.787 16.855 1.00 0.00 C ATOM 0 HA PRO A 13 -2.159 6.163 13.952 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.065 6.903 15.397 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.837 8.077 14.459 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.686 7.768 17.407 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.158 9.172 16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.919 7.307 17.824 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.393 8.692 16.862 1.00 0.00 H new ATOM 61 N VAL A 14 -0.911 4.182 14.804 1.00 0.00 N ATOM 62 CA VAL A 14 -0.489 2.836 15.277 1.00 0.00 C ATOM 63 C VAL A 14 0.951 2.911 15.805 1.00 0.00 C ATOM 64 O VAL A 14 1.662 3.871 15.578 1.00 0.00 O ATOM 65 CB VAL A 14 -0.586 1.848 14.104 1.00 0.00 C ATOM 66 CG1 VAL A 14 0.385 0.687 14.294 1.00 0.00 C ATOM 67 CG2 VAL A 14 -2.008 1.293 14.020 1.00 0.00 C ATOM 0 H VAL A 14 -0.630 4.413 13.851 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.137 2.496 16.085 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.332 2.378 13.186 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.300 -0.000 13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.404 1.070 14.348 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.146 0.160 15.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.077 0.592 13.188 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.253 0.778 14.949 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.710 2.112 13.863 1.00 0.00 H new ATOM 77 N ASP A 15 1.375 1.902 16.511 1.00 0.00 N ATOM 78 CA ASP A 15 2.762 1.888 17.070 1.00 0.00 C ATOM 79 C ASP A 15 3.743 1.399 16.004 1.00 0.00 C ATOM 80 O ASP A 15 3.374 1.120 14.882 1.00 0.00 O ATOM 81 CB ASP A 15 2.821 0.954 18.289 1.00 0.00 C ATOM 82 CG ASP A 15 1.420 0.775 18.886 1.00 0.00 C ATOM 83 OD1 ASP A 15 0.701 1.757 18.962 1.00 0.00 O ATOM 84 OD2 ASP A 15 1.095 -0.341 19.255 1.00 0.00 O ATOM 0 H ASP A 15 0.817 1.076 16.729 1.00 0.00 H new ATOM 0 HA ASP A 15 3.034 2.898 17.376 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.226 -0.015 17.995 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.495 1.366 19.040 1.00 0.00 H new ATOM 89 N GLU A 16 4.996 1.307 16.346 1.00 0.00 N ATOM 90 CA GLU A 16 6.018 0.851 15.356 1.00 0.00 C ATOM 91 C GLU A 16 5.869 -0.649 15.051 1.00 0.00 C ATOM 92 O GLU A 16 6.683 -1.224 14.356 1.00 0.00 O ATOM 93 CB GLU A 16 7.417 1.115 15.915 1.00 0.00 C ATOM 94 CG GLU A 16 7.848 2.539 15.559 1.00 0.00 C ATOM 95 CD GLU A 16 8.307 3.266 16.824 1.00 0.00 C ATOM 96 OE1 GLU A 16 7.649 3.118 17.840 1.00 0.00 O ATOM 97 OE2 GLU A 16 9.311 3.956 16.756 1.00 0.00 O ATOM 0 H GLU A 16 5.361 1.528 17.272 1.00 0.00 H new ATOM 0 HA GLU A 16 5.869 1.406 14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.419 0.983 16.997 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.126 0.396 15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.656 2.513 14.828 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.019 3.077 15.099 1.00 0.00 H new ATOM 104 N ASN A 17 4.845 -1.287 15.546 1.00 0.00 N ATOM 105 CA ASN A 17 4.665 -2.739 15.258 1.00 0.00 C ATOM 106 C ASN A 17 3.200 -3.003 14.903 1.00 0.00 C ATOM 107 O ASN A 17 2.819 -2.983 13.750 1.00 0.00 O ATOM 108 CB ASN A 17 5.083 -3.573 16.476 1.00 0.00 C ATOM 109 CG ASN A 17 4.858 -2.771 17.761 1.00 0.00 C ATOM 110 OD1 ASN A 17 3.958 -1.959 17.836 1.00 0.00 O ATOM 111 ND2 ASN A 17 5.644 -2.967 18.784 1.00 0.00 N ATOM 0 H ASN A 17 4.126 -0.868 16.136 1.00 0.00 H new ATOM 0 HA ASN A 17 5.294 -3.026 14.416 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.507 -4.498 16.509 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.133 -3.854 16.392 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.502 -2.439 19.645 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.400 -3.649 18.723 1.00 0.00 H new ATOM 118 N ASP A 18 2.375 -3.242 15.879 1.00 0.00 N ATOM 119 CA ASP A 18 0.935 -3.493 15.592 1.00 0.00 C ATOM 120 C ASP A 18 0.808 -4.478 14.435 1.00 0.00 C ATOM 121 O ASP A 18 0.575 -4.099 13.304 1.00 0.00 O ATOM 122 CB ASP A 18 0.258 -2.177 15.218 1.00 0.00 C ATOM 123 CG ASP A 18 -0.583 -1.683 16.395 1.00 0.00 C ATOM 124 OD1 ASP A 18 -0.283 -2.066 17.514 1.00 0.00 O ATOM 125 OD2 ASP A 18 -1.513 -0.928 16.159 1.00 0.00 O ATOM 0 H ASP A 18 2.634 -3.275 16.865 1.00 0.00 H new ATOM 0 HA ASP A 18 0.455 -3.912 16.476 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.009 -1.431 14.956 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.373 -2.317 14.340 1.00 0.00 H new ATOM 130 N GLU A 19 0.953 -5.742 14.707 1.00 0.00 N ATOM 131 CA GLU A 19 0.834 -6.754 13.622 1.00 0.00 C ATOM 132 C GLU A 19 -0.393 -6.435 12.767 1.00 0.00 C ATOM 133 O GLU A 19 -0.460 -6.786 11.605 1.00 0.00 O ATOM 134 CB GLU A 19 0.686 -8.149 14.231 1.00 0.00 C ATOM 135 CG GLU A 19 -0.640 -8.236 14.990 1.00 0.00 C ATOM 136 CD GLU A 19 -0.595 -9.413 15.965 1.00 0.00 C ATOM 137 OE1 GLU A 19 -0.409 -10.529 15.509 1.00 0.00 O ATOM 138 OE2 GLU A 19 -0.746 -9.178 17.153 1.00 0.00 O ATOM 0 H GLU A 19 1.149 -6.120 15.634 1.00 0.00 H new ATOM 0 HA GLU A 19 1.729 -6.728 13.001 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.719 -8.905 13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.518 -8.353 14.906 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.822 -7.308 15.532 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.465 -8.363 14.289 1.00 0.00 H new ATOM 145 N GLY A 20 -1.365 -5.766 13.329 1.00 0.00 N ATOM 146 CA GLY A 20 -2.581 -5.421 12.541 1.00 0.00 C ATOM 147 C GLY A 20 -2.208 -4.394 11.471 1.00 0.00 C ATOM 148 O GLY A 20 -2.488 -4.572 10.301 1.00 0.00 O ATOM 0 H GLY A 20 -1.368 -5.445 14.297 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.994 -6.316 12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.352 -5.018 13.197 1.00 0.00 H new ATOM 152 N LEU A 21 -1.573 -3.323 11.860 1.00 0.00 N ATOM 153 CA LEU A 21 -1.173 -2.287 10.866 1.00 0.00 C ATOM 154 C LEU A 21 -0.234 -2.913 9.837 1.00 0.00 C ATOM 155 O LEU A 21 -0.287 -2.597 8.666 1.00 0.00 O ATOM 156 CB LEU A 21 -0.461 -1.141 11.584 1.00 0.00 C ATOM 157 CG LEU A 21 0.130 -0.173 10.557 1.00 0.00 C ATOM 158 CD1 LEU A 21 -0.981 0.719 9.999 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.192 0.699 11.230 1.00 0.00 C ATOM 0 H LEU A 21 -1.313 -3.120 12.825 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.058 -1.900 10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.162 -0.615 12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.329 -1.535 12.223 1.00 0.00 H new ATOM 0 HG LEU A 21 0.585 -0.739 9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.561 1.409 9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.739 0.099 9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.436 1.285 10.812 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.613 1.389 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.736 1.265 12.042 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.984 0.065 11.629 1.00 0.00 H new ATOM 171 N GLN A 22 0.626 -3.802 10.258 1.00 0.00 N ATOM 172 CA GLN A 22 1.554 -4.442 9.287 1.00 0.00 C ATOM 173 C GLN A 22 0.739 -5.243 8.279 1.00 0.00 C ATOM 174 O GLN A 22 0.996 -5.208 7.094 1.00 0.00 O ATOM 175 CB GLN A 22 2.525 -5.366 10.026 1.00 0.00 C ATOM 176 CG GLN A 22 3.419 -4.535 10.947 1.00 0.00 C ATOM 177 CD GLN A 22 4.623 -5.372 11.384 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.876 -5.523 12.563 1.00 0.00 O ATOM 179 NE2 GLN A 22 5.380 -5.926 10.478 1.00 0.00 N ATOM 0 H GLN A 22 0.724 -4.110 11.226 1.00 0.00 H new ATOM 0 HA GLN A 22 2.129 -3.675 8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.971 -6.103 10.607 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.135 -5.917 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.756 -3.637 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.855 -4.207 11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.167 -5.799 9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.185 -6.486 10.759 1.00 0.00 H new ATOM 188 N ARG A 23 -0.256 -5.944 8.736 1.00 0.00 N ATOM 189 CA ARG A 23 -1.104 -6.720 7.793 1.00 0.00 C ATOM 190 C ARG A 23 -1.905 -5.730 6.948 1.00 0.00 C ATOM 191 O ARG A 23 -2.465 -6.072 5.925 1.00 0.00 O ATOM 192 CB ARG A 23 -2.061 -7.621 8.578 1.00 0.00 C ATOM 193 CG ARG A 23 -2.196 -8.964 7.861 1.00 0.00 C ATOM 194 CD ARG A 23 -3.440 -9.693 8.367 1.00 0.00 C ATOM 195 NE ARG A 23 -3.467 -9.658 9.856 1.00 0.00 N ATOM 196 CZ ARG A 23 -4.604 -9.745 10.489 1.00 0.00 C ATOM 197 NH1 ARG A 23 -5.659 -10.207 9.876 1.00 0.00 N ATOM 198 NH2 ARG A 23 -4.687 -9.372 11.738 1.00 0.00 N ATOM 0 H ARG A 23 -0.519 -6.014 9.719 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.481 -7.345 7.154 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.687 -7.773 9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.037 -7.144 8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.267 -8.807 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.309 -9.572 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.338 -9.223 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.437 -10.725 8.017 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.597 -9.566 10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.595 -10.500 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.548 -10.275 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.862 -9.012 12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.576 -9.440 12.233 1.00 0.00 H new ATOM 212 N ALA A 24 -1.952 -4.493 7.373 1.00 0.00 N ATOM 213 CA ALA A 24 -2.697 -3.457 6.612 1.00 0.00 C ATOM 214 C ALA A 24 -1.865 -3.020 5.412 1.00 0.00 C ATOM 215 O ALA A 24 -2.305 -3.081 4.274 1.00 0.00 O ATOM 216 CB ALA A 24 -2.958 -2.250 7.517 1.00 0.00 C ATOM 0 H ALA A 24 -1.500 -4.158 8.224 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.647 -3.866 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.505 -1.489 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.548 -2.562 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.008 -1.838 7.857 1.00 0.00 H new ATOM 222 N LEU A 25 -0.659 -2.588 5.651 1.00 0.00 N ATOM 223 CA LEU A 25 0.202 -2.154 4.536 1.00 0.00 C ATOM 224 C LEU A 25 0.490 -3.342 3.630 1.00 0.00 C ATOM 225 O LEU A 25 0.560 -3.220 2.431 1.00 0.00 O ATOM 226 CB LEU A 25 1.491 -1.620 5.135 1.00 0.00 C ATOM 227 CG LEU A 25 2.482 -1.273 4.021 1.00 0.00 C ATOM 228 CD1 LEU A 25 1.968 -0.060 3.243 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.844 -0.944 4.635 1.00 0.00 C ATOM 0 H LEU A 25 -0.238 -2.519 6.577 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.284 -1.380 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.283 -0.735 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.927 -2.364 5.802 1.00 0.00 H new ATOM 0 HG LEU A 25 2.583 -2.123 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.673 0.188 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.997 -0.293 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.868 0.790 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.550 -0.697 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.743 -0.094 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.210 -1.807 5.191 1.00 0.00 H new ATOM 241 N GLN A 26 0.660 -4.491 4.199 1.00 0.00 N ATOM 242 CA GLN A 26 0.948 -5.692 3.366 1.00 0.00 C ATOM 243 C GLN A 26 -0.303 -6.109 2.584 1.00 0.00 C ATOM 244 O GLN A 26 -0.215 -6.780 1.579 1.00 0.00 O ATOM 245 CB GLN A 26 1.403 -6.843 4.265 1.00 0.00 C ATOM 246 CG GLN A 26 2.417 -7.708 3.515 1.00 0.00 C ATOM 247 CD GLN A 26 2.491 -9.090 4.167 1.00 0.00 C ATOM 248 OE1 GLN A 26 2.561 -10.094 3.487 1.00 0.00 O ATOM 249 NE2 GLN A 26 2.478 -9.184 5.469 1.00 0.00 N ATOM 0 H GLN A 26 0.613 -4.658 5.204 1.00 0.00 H new ATOM 0 HA GLN A 26 1.740 -5.449 2.658 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.850 -6.450 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.545 -7.446 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.126 -7.803 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.398 -7.234 3.531 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.419 -8.341 6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.527 -10.100 5.915 1.00 0.00 H new ATOM 258 N PHE A 27 -1.465 -5.720 3.032 1.00 0.00 N ATOM 259 CA PHE A 27 -2.713 -6.094 2.309 1.00 0.00 C ATOM 260 C PHE A 27 -2.850 -5.248 1.052 1.00 0.00 C ATOM 261 O PHE A 27 -2.980 -5.747 -0.050 1.00 0.00 O ATOM 262 CB PHE A 27 -3.890 -5.812 3.220 1.00 0.00 C ATOM 263 CG PHE A 27 -5.177 -6.359 2.648 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.172 -7.135 1.481 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.389 -6.073 3.291 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.378 -7.624 0.964 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.590 -6.559 2.772 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.587 -7.335 1.608 1.00 0.00 C ATOM 0 H PHE A 27 -1.604 -5.157 3.871 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.682 -7.148 2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.708 -6.256 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.986 -4.737 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.240 -7.355 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.394 -5.475 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.375 -8.225 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.522 -6.336 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.517 -7.711 1.207 1.00 0.00 H new ATOM 278 N ALA A 28 -2.833 -3.967 1.225 1.00 0.00 N ATOM 279 CA ALA A 28 -2.978 -3.052 0.058 1.00 0.00 C ATOM 280 C ALA A 28 -1.732 -3.116 -0.818 1.00 0.00 C ATOM 281 O ALA A 28 -1.816 -3.259 -2.017 1.00 0.00 O ATOM 282 CB ALA A 28 -3.179 -1.627 0.565 1.00 0.00 C ATOM 0 H ALA A 28 -2.725 -3.504 2.127 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.839 -3.358 -0.537 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.286 -0.951 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.078 -1.583 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.317 -1.328 1.161 1.00 0.00 H new ATOM 288 N ILE A 29 -0.581 -3.008 -0.238 1.00 0.00 N ATOM 289 CA ILE A 29 0.660 -3.071 -1.052 1.00 0.00 C ATOM 290 C ILE A 29 0.696 -4.415 -1.771 1.00 0.00 C ATOM 291 O ILE A 29 1.040 -4.512 -2.931 1.00 0.00 O ATOM 292 CB ILE A 29 1.869 -2.909 -0.115 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.888 -1.987 -0.754 1.00 0.00 C ATOM 294 CG2 ILE A 29 2.525 -4.249 0.177 1.00 0.00 C ATOM 295 CD1 ILE A 29 2.147 -0.780 -1.270 1.00 0.00 C ATOM 0 H ILE A 29 -0.441 -2.879 0.764 1.00 0.00 H new ATOM 0 HA ILE A 29 0.688 -2.275 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 29 1.513 -2.485 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.645 -1.691 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.407 -2.494 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.376 -4.100 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.803 -4.911 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.867 -4.698 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.852 -0.093 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.405 -1.095 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.647 -0.278 -0.441 1.00 0.00 H new ATOM 307 N ALA A 30 0.326 -5.447 -1.080 1.00 0.00 N ATOM 308 CA ALA A 30 0.309 -6.787 -1.717 1.00 0.00 C ATOM 309 C ALA A 30 -0.575 -6.684 -2.951 1.00 0.00 C ATOM 310 O ALA A 30 -0.366 -7.350 -3.948 1.00 0.00 O ATOM 311 CB ALA A 30 -0.284 -7.816 -0.751 1.00 0.00 C ATOM 0 H ALA A 30 0.035 -5.423 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 30 1.319 -7.102 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.293 -8.797 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.322 -7.856 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.303 -7.528 -0.493 1.00 0.00 H new ATOM 317 N GLU A 31 -1.568 -5.836 -2.885 1.00 0.00 N ATOM 318 CA GLU A 31 -2.476 -5.668 -4.046 1.00 0.00 C ATOM 319 C GLU A 31 -1.800 -4.810 -5.114 1.00 0.00 C ATOM 320 O GLU A 31 -2.080 -4.948 -6.287 1.00 0.00 O ATOM 321 CB GLU A 31 -3.806 -5.043 -3.587 1.00 0.00 C ATOM 322 CG GLU A 31 -3.768 -3.508 -3.676 1.00 0.00 C ATOM 323 CD GLU A 31 -4.648 -3.045 -4.838 1.00 0.00 C ATOM 324 OE1 GLU A 31 -5.607 -3.736 -5.140 1.00 0.00 O ATOM 325 OE2 GLU A 31 -4.350 -2.007 -5.405 1.00 0.00 O ATOM 0 H GLU A 31 -1.785 -5.255 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.694 -6.643 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.620 -5.424 -4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.016 -5.344 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.120 -3.070 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.743 -3.166 -3.823 1.00 0.00 H new ATOM 332 N TYR A 32 -0.908 -3.932 -4.739 1.00 0.00 N ATOM 333 CA TYR A 32 -0.245 -3.112 -5.771 1.00 0.00 C ATOM 334 C TYR A 32 0.631 -4.032 -6.623 1.00 0.00 C ATOM 335 O TYR A 32 0.595 -4.000 -7.839 1.00 0.00 O ATOM 336 CB TYR A 32 0.607 -2.053 -5.096 1.00 0.00 C ATOM 337 CG TYR A 32 0.538 -0.773 -5.883 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.592 0.046 -5.781 1.00 0.00 C ATOM 339 CD2 TYR A 32 1.617 -0.375 -6.678 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.640 1.253 -6.462 1.00 0.00 C ATOM 341 CE2 TYR A 32 1.565 0.830 -7.366 1.00 0.00 C ATOM 342 CZ TYR A 32 0.437 1.654 -7.258 1.00 0.00 C ATOM 343 OH TYR A 32 0.389 2.854 -7.938 1.00 0.00 O ATOM 0 H TYR A 32 -0.619 -3.755 -3.777 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.982 -2.617 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.257 -1.885 -4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.640 -2.393 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.428 -0.262 -5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.491 -1.005 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.512 1.885 -6.377 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.396 1.133 -7.986 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.534 3.183 -7.956 1.00 0.00 H new ATOM 353 N ASN A 33 1.405 -4.870 -5.985 1.00 0.00 N ATOM 354 CA ASN A 33 2.270 -5.808 -6.746 1.00 0.00 C ATOM 355 C ASN A 33 1.387 -6.739 -7.583 1.00 0.00 C ATOM 356 O ASN A 33 1.575 -6.873 -8.776 1.00 0.00 O ATOM 357 CB ASN A 33 3.106 -6.636 -5.767 1.00 0.00 C ATOM 358 CG ASN A 33 4.077 -7.524 -6.548 1.00 0.00 C ATOM 359 OD1 ASN A 33 4.160 -8.712 -6.307 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.820 -6.995 -7.481 1.00 0.00 N ATOM 0 H ASN A 33 1.473 -4.943 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 33 2.934 -5.247 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.658 -5.977 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.455 -7.250 -5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.470 -7.579 -8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.751 -5.998 -7.684 1.00 0.00 H new ATOM 367 N ARG A 34 0.422 -7.382 -6.974 1.00 0.00 N ATOM 368 CA ARG A 34 -0.461 -8.293 -7.754 1.00 0.00 C ATOM 369 C ARG A 34 -1.266 -7.470 -8.757 1.00 0.00 C ATOM 370 O ARG A 34 -1.812 -7.991 -9.709 1.00 0.00 O ATOM 371 CB ARG A 34 -1.408 -9.035 -6.804 1.00 0.00 C ATOM 372 CG ARG A 34 -2.516 -8.088 -6.328 1.00 0.00 C ATOM 373 CD ARG A 34 -3.721 -8.174 -7.271 1.00 0.00 C ATOM 374 NE ARG A 34 -3.977 -9.596 -7.637 1.00 0.00 N ATOM 375 CZ ARG A 34 -4.940 -10.257 -7.056 1.00 0.00 C ATOM 376 NH1 ARG A 34 -6.082 -9.673 -6.817 1.00 0.00 N ATOM 377 NH2 ARG A 34 -4.762 -11.504 -6.714 1.00 0.00 N ATOM 0 H ARG A 34 0.211 -7.315 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 34 0.145 -9.025 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.845 -9.895 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.852 -9.418 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.818 -8.349 -5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.142 -7.065 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.602 -7.749 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.534 -7.586 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.399 -10.053 -8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.222 -8.699 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.834 -10.191 -6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.870 -11.962 -6.901 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.515 -12.021 -6.260 1.00 0.00 H new ATOM 391 N ALA A 35 -1.336 -6.184 -8.554 1.00 0.00 N ATOM 392 CA ALA A 35 -2.098 -5.325 -9.501 1.00 0.00 C ATOM 393 C ALA A 35 -1.317 -5.218 -10.806 1.00 0.00 C ATOM 394 O ALA A 35 -1.880 -5.175 -11.882 1.00 0.00 O ATOM 395 CB ALA A 35 -2.285 -3.930 -8.899 1.00 0.00 C ATOM 0 H ALA A 35 -0.899 -5.692 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.078 -5.764 -9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.843 -3.305 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.835 -4.009 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.310 -3.481 -8.710 1.00 0.00 H new ATOM 401 N SER A 36 -0.023 -5.191 -10.713 1.00 0.00 N ATOM 402 CA SER A 36 0.816 -5.103 -11.940 1.00 0.00 C ATOM 403 C SER A 36 1.145 -6.516 -12.426 1.00 0.00 C ATOM 404 O SER A 36 1.524 -6.722 -13.562 1.00 0.00 O ATOM 405 CB SER A 36 2.114 -4.357 -11.621 1.00 0.00 C ATOM 406 OG SER A 36 3.121 -4.745 -12.545 1.00 0.00 O ATOM 0 H SER A 36 0.496 -5.226 -9.836 1.00 0.00 H new ATOM 0 HA SER A 36 0.273 -4.565 -12.717 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.950 -3.281 -11.675 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.434 -4.580 -10.603 1.00 0.00 H new ATOM 0 HG SER A 36 3.489 -5.614 -12.282 1.00 0.00 H new ATOM 412 N ASN A 37 1.002 -7.492 -11.569 1.00 0.00 N ATOM 413 CA ASN A 37 1.304 -8.895 -11.972 1.00 0.00 C ATOM 414 C ASN A 37 2.676 -8.947 -12.651 1.00 0.00 C ATOM 415 O ASN A 37 3.462 -8.025 -12.551 1.00 0.00 O ATOM 416 CB ASN A 37 0.233 -9.386 -12.946 1.00 0.00 C ATOM 417 CG ASN A 37 -1.152 -9.033 -12.403 1.00 0.00 C ATOM 418 OD1 ASN A 37 -1.780 -8.101 -12.866 1.00 0.00 O ATOM 419 ND2 ASN A 37 -1.658 -9.741 -11.430 1.00 0.00 N ATOM 0 H ASN A 37 0.688 -7.377 -10.605 1.00 0.00 H new ATOM 0 HA ASN A 37 1.312 -9.534 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.379 -8.928 -13.924 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.318 -10.464 -13.083 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.580 -9.512 -11.059 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.131 -10.523 -11.041 1.00 0.00 H new ATOM 426 N ASP A 38 2.974 -10.014 -13.347 1.00 0.00 N ATOM 427 CA ASP A 38 4.281 -10.120 -14.028 1.00 0.00 C ATOM 428 C ASP A 38 4.345 -9.107 -15.171 1.00 0.00 C ATOM 429 O ASP A 38 5.388 -8.868 -15.746 1.00 0.00 O ATOM 430 CB ASP A 38 4.391 -11.532 -14.577 1.00 0.00 C ATOM 431 CG ASP A 38 5.692 -11.681 -15.370 1.00 0.00 C ATOM 432 OD1 ASP A 38 6.624 -10.950 -15.085 1.00 0.00 O ATOM 433 OD2 ASP A 38 5.732 -12.525 -16.250 1.00 0.00 O ATOM 0 H ASP A 38 2.358 -10.818 -13.468 1.00 0.00 H new ATOM 0 HA ASP A 38 5.100 -9.913 -13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.368 -12.253 -13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.537 -11.750 -15.218 1.00 0.00 H new ATOM 438 N LYS A 39 3.236 -8.509 -15.499 1.00 0.00 N ATOM 439 CA LYS A 39 3.222 -7.509 -16.602 1.00 0.00 C ATOM 440 C LYS A 39 4.086 -6.313 -16.215 1.00 0.00 C ATOM 441 O LYS A 39 4.433 -5.499 -17.048 1.00 0.00 O ATOM 442 CB LYS A 39 1.787 -7.040 -16.851 1.00 0.00 C ATOM 443 CG LYS A 39 0.914 -8.243 -17.219 1.00 0.00 C ATOM 444 CD LYS A 39 0.238 -7.988 -18.568 1.00 0.00 C ATOM 445 CE LYS A 39 -0.770 -6.846 -18.426 1.00 0.00 C ATOM 446 NZ LYS A 39 -2.059 -7.382 -17.907 1.00 0.00 N ATOM 0 H LYS A 39 2.335 -8.670 -15.049 1.00 0.00 H new ATOM 0 HA LYS A 39 3.617 -7.966 -17.509 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.393 -6.550 -15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.768 -6.304 -17.654 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.523 -9.146 -17.270 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.161 -8.409 -16.448 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.986 -7.736 -19.320 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.266 -8.892 -18.911 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.381 -6.086 -17.749 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.927 -6.363 -19.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.744 -6.606 -17.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.431 -8.092 -18.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.903 -7.823 -16.978 1.00 0.00 H new ATOM 460 N TYR A 40 4.437 -6.185 -14.965 1.00 0.00 N ATOM 461 CA TYR A 40 5.266 -5.030 -14.571 1.00 0.00 C ATOM 462 C TYR A 40 5.790 -5.186 -13.149 1.00 0.00 C ATOM 463 O TYR A 40 5.508 -6.153 -12.468 1.00 0.00 O ATOM 464 CB TYR A 40 4.425 -3.779 -14.652 1.00 0.00 C ATOM 465 CG TYR A 40 4.720 -3.099 -15.953 1.00 0.00 C ATOM 466 CD1 TYR A 40 6.044 -2.874 -16.323 1.00 0.00 C ATOM 467 CD2 TYR A 40 3.677 -2.716 -16.794 1.00 0.00 C ATOM 468 CE1 TYR A 40 6.335 -2.260 -17.538 1.00 0.00 C ATOM 469 CE2 TYR A 40 3.962 -2.102 -18.014 1.00 0.00 C ATOM 470 CZ TYR A 40 5.292 -1.872 -18.390 1.00 0.00 C ATOM 471 OH TYR A 40 5.576 -1.264 -19.598 1.00 0.00 O ATOM 0 H TYR A 40 4.185 -6.826 -14.213 1.00 0.00 H new ATOM 0 HA TYR A 40 6.120 -4.968 -15.246 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.366 -4.028 -14.585 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.650 -3.115 -13.817 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.846 -3.176 -15.666 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.652 -2.894 -16.503 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.362 -2.083 -17.823 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.157 -1.804 -18.669 1.00 0.00 H new ATOM 0 HH TYR A 40 4.740 -1.061 -20.066 1.00 0.00 H new ATOM 481 N SER A 41 6.547 -4.225 -12.696 1.00 0.00 N ATOM 482 CA SER A 41 7.092 -4.303 -11.307 1.00 0.00 C ATOM 483 C SER A 41 6.442 -3.225 -10.432 1.00 0.00 C ATOM 484 O SER A 41 6.211 -2.116 -10.870 1.00 0.00 O ATOM 485 CB SER A 41 8.606 -4.087 -11.341 1.00 0.00 C ATOM 486 OG SER A 41 9.172 -4.508 -10.109 1.00 0.00 O ATOM 0 H SER A 41 6.812 -3.393 -13.223 1.00 0.00 H new ATOM 0 HA SER A 41 6.872 -5.285 -10.889 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.046 -4.648 -12.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.830 -3.035 -11.516 1.00 0.00 H new ATOM 0 HG SER A 41 10.135 -4.326 -10.112 1.00 0.00 H new ATOM 492 N SER A 42 6.153 -3.536 -9.192 1.00 0.00 N ATOM 493 CA SER A 42 5.528 -2.514 -8.300 1.00 0.00 C ATOM 494 C SER A 42 6.012 -2.716 -6.856 1.00 0.00 C ATOM 495 O SER A 42 5.878 -3.786 -6.295 1.00 0.00 O ATOM 496 CB SER A 42 4.000 -2.639 -8.346 1.00 0.00 C ATOM 497 OG SER A 42 3.641 -3.774 -9.118 1.00 0.00 O ATOM 0 H SER A 42 6.322 -4.446 -8.763 1.00 0.00 H new ATOM 0 HA SER A 42 5.818 -1.522 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.602 -2.732 -7.336 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.564 -1.739 -8.779 1.00 0.00 H new ATOM 0 HG SER A 42 2.684 -3.956 -9.007 1.00 0.00 H new ATOM 503 N ARG A 43 6.585 -1.702 -6.250 1.00 0.00 N ATOM 504 CA ARG A 43 7.084 -1.862 -4.845 1.00 0.00 C ATOM 505 C ARG A 43 6.829 -0.606 -4.008 1.00 0.00 C ATOM 506 O ARG A 43 5.835 0.071 -4.167 1.00 0.00 O ATOM 507 CB ARG A 43 8.585 -2.163 -4.884 1.00 0.00 C ATOM 508 CG ARG A 43 8.918 -3.228 -3.836 1.00 0.00 C ATOM 509 CD ARG A 43 10.434 -3.318 -3.662 1.00 0.00 C ATOM 510 NE ARG A 43 10.894 -4.692 -4.014 1.00 0.00 N ATOM 511 CZ ARG A 43 12.043 -4.862 -4.605 1.00 0.00 C ATOM 512 NH1 ARG A 43 12.262 -4.324 -5.775 1.00 0.00 N ATOM 513 NH2 ARG A 43 12.975 -5.570 -4.028 1.00 0.00 N ATOM 0 H ARG A 43 6.728 -0.780 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 43 6.543 -2.684 -4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.871 -2.512 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.154 -1.254 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.447 -2.978 -2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.519 -4.194 -4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.928 -2.583 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.707 -3.084 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 43 10.310 -5.498 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.534 -3.771 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.161 -4.457 -6.237 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.804 -5.990 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.874 -5.703 -4.491 1.00 0.00 H new ATOM 527 N VAL A 44 7.703 -0.347 -3.072 1.00 0.00 N ATOM 528 CA VAL A 44 7.534 0.819 -2.146 1.00 0.00 C ATOM 529 C VAL A 44 8.481 1.981 -2.516 1.00 0.00 C ATOM 530 O VAL A 44 9.438 1.808 -3.245 1.00 0.00 O ATOM 531 CB VAL A 44 7.795 0.310 -0.720 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.918 1.094 -0.026 1.00 0.00 C ATOM 533 CG2 VAL A 44 6.506 0.429 0.096 1.00 0.00 C ATOM 0 H VAL A 44 8.542 -0.902 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 44 6.524 1.221 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 44 8.113 -0.731 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.069 0.701 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.840 0.992 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.643 2.147 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.683 0.070 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.192 1.472 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.724 -0.170 -0.370 1.00 0.00 H new ATOM 543 N VAL A 45 8.233 3.161 -1.979 1.00 0.00 N ATOM 544 CA VAL A 45 9.123 4.320 -2.251 1.00 0.00 C ATOM 545 C VAL A 45 9.294 5.136 -0.938 1.00 0.00 C ATOM 546 O VAL A 45 10.273 4.971 -0.235 1.00 0.00 O ATOM 547 CB VAL A 45 8.584 5.213 -3.388 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.674 5.358 -4.406 1.00 0.00 C ATOM 549 CG2 VAL A 45 7.426 4.615 -4.175 1.00 0.00 C ATOM 0 H VAL A 45 7.445 3.360 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 45 10.091 3.946 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 45 8.252 6.132 -2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.325 5.986 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.546 5.819 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.945 4.375 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.115 5.314 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.743 3.679 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.590 4.424 -3.503 1.00 0.00 H new ATOM 559 N ARG A 46 8.344 5.984 -0.575 1.00 0.00 N ATOM 560 CA ARG A 46 8.454 6.764 0.725 1.00 0.00 C ATOM 561 C ARG A 46 7.067 6.854 1.437 1.00 0.00 C ATOM 562 O ARG A 46 6.261 7.704 1.119 1.00 0.00 O ATOM 563 CB ARG A 46 8.951 8.179 0.419 1.00 0.00 C ATOM 564 CG ARG A 46 8.275 8.692 -0.854 1.00 0.00 C ATOM 565 CD ARG A 46 9.333 8.923 -1.936 1.00 0.00 C ATOM 566 NE ARG A 46 9.451 10.384 -2.208 1.00 0.00 N ATOM 567 CZ ARG A 46 10.098 10.800 -3.263 1.00 0.00 C ATOM 568 NH1 ARG A 46 11.302 10.359 -3.505 1.00 0.00 N ATOM 569 NH2 ARG A 46 9.540 11.657 -4.074 1.00 0.00 N ATOM 0 H ARG A 46 7.501 6.171 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 46 9.153 6.249 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.729 8.843 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.034 8.177 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.535 7.971 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.742 9.620 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.294 8.523 -1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.058 8.393 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 46 9.027 11.058 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.737 9.690 -2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.808 10.684 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.599 12.001 -3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.045 11.982 -4.898 1.00 0.00 H new ATOM 583 N VAL A 47 6.782 5.971 2.386 1.00 0.00 N ATOM 584 CA VAL A 47 5.449 5.982 3.110 1.00 0.00 C ATOM 585 C VAL A 47 5.201 7.350 3.750 1.00 0.00 C ATOM 586 O VAL A 47 6.107 8.144 3.912 1.00 0.00 O ATOM 587 CB VAL A 47 5.479 4.890 4.184 1.00 0.00 C ATOM 588 CG1 VAL A 47 4.683 5.315 5.418 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.873 3.599 3.628 1.00 0.00 C ATOM 0 H VAL A 47 7.421 5.238 2.692 1.00 0.00 H new ATOM 0 HA VAL A 47 4.640 5.791 2.405 1.00 0.00 H new ATOM 0 HB VAL A 47 6.518 4.726 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.720 4.523 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.114 6.226 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.646 5.500 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.897 2.826 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.841 3.781 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.449 3.270 2.763 1.00 0.00 H new ATOM 599 N ILE A 48 3.971 7.636 4.112 1.00 0.00 N ATOM 600 CA ILE A 48 3.676 8.946 4.726 1.00 0.00 C ATOM 601 C ILE A 48 2.864 8.757 6.020 1.00 0.00 C ATOM 602 O ILE A 48 2.852 9.627 6.868 1.00 0.00 O ATOM 603 CB ILE A 48 2.881 9.756 3.709 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.845 10.429 2.733 1.00 0.00 C ATOM 605 CG2 ILE A 48 2.034 10.826 4.408 1.00 0.00 C ATOM 606 CD1 ILE A 48 3.413 10.111 1.300 1.00 0.00 C ATOM 0 H ILE A 48 3.170 7.014 4.004 1.00 0.00 H new ATOM 0 HA ILE A 48 4.598 9.465 4.989 1.00 0.00 H new ATOM 0 HB ILE A 48 2.214 9.082 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.850 11.507 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.862 10.076 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.475 11.392 3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.338 10.347 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.686 11.501 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.097 10.589 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.430 9.032 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.403 10.485 1.133 1.00 0.00 H new ATOM 618 N SER A 49 2.175 7.649 6.199 1.00 0.00 N ATOM 619 CA SER A 49 1.388 7.504 7.465 1.00 0.00 C ATOM 620 C SER A 49 0.714 6.134 7.573 1.00 0.00 C ATOM 621 O SER A 49 0.647 5.370 6.636 1.00 0.00 O ATOM 622 CB SER A 49 0.312 8.592 7.507 1.00 0.00 C ATOM 623 OG SER A 49 0.517 9.415 8.645 1.00 0.00 O ATOM 0 H SER A 49 2.125 6.866 5.547 1.00 0.00 H new ATOM 0 HA SER A 49 2.080 7.602 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.351 9.193 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.678 8.138 7.547 1.00 0.00 H new ATOM 0 HG SER A 49 1.380 9.872 8.567 1.00 0.00 H new ATOM 629 N ALA A 50 0.210 5.849 8.742 1.00 0.00 N ATOM 630 CA ALA A 50 -0.490 4.555 9.011 1.00 0.00 C ATOM 631 C ALA A 50 -1.382 4.760 10.247 1.00 0.00 C ATOM 632 O ALA A 50 -0.888 4.969 11.337 1.00 0.00 O ATOM 633 CB ALA A 50 0.542 3.461 9.297 1.00 0.00 C ATOM 0 H ALA A 50 0.254 6.475 9.546 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.087 4.254 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.029 2.519 9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.198 3.345 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.135 3.739 10.168 1.00 0.00 H new ATOM 639 N LYS A 51 -2.687 4.741 10.100 1.00 0.00 N ATOM 640 CA LYS A 51 -3.559 4.978 11.293 1.00 0.00 C ATOM 641 C LYS A 51 -4.754 4.026 11.294 1.00 0.00 C ATOM 642 O LYS A 51 -5.127 3.460 10.282 1.00 0.00 O ATOM 643 CB LYS A 51 -4.068 6.419 11.267 1.00 0.00 C ATOM 644 CG LYS A 51 -2.936 7.356 10.843 1.00 0.00 C ATOM 645 CD LYS A 51 -3.256 8.780 11.301 1.00 0.00 C ATOM 646 CE LYS A 51 -1.992 9.638 11.225 1.00 0.00 C ATOM 647 NZ LYS A 51 -2.361 11.036 10.860 1.00 0.00 N ATOM 0 H LYS A 51 -3.178 4.575 9.221 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.970 4.800 12.193 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.905 6.507 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.438 6.702 12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.993 7.025 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.813 7.329 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.037 9.208 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.639 8.768 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.473 9.626 12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.305 9.227 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.502 11.620 10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.838 11.039 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.001 11.426 11.581 1.00 0.00 H new ATOM 661 N ARG A 52 -5.362 3.861 12.441 1.00 0.00 N ATOM 662 CA ARG A 52 -6.546 2.954 12.547 1.00 0.00 C ATOM 663 C ARG A 52 -7.727 3.708 13.166 1.00 0.00 C ATOM 664 O ARG A 52 -7.967 3.616 14.352 1.00 0.00 O ATOM 665 CB ARG A 52 -6.226 1.757 13.470 1.00 0.00 C ATOM 666 CG ARG A 52 -5.132 2.153 14.464 1.00 0.00 C ATOM 667 CD ARG A 52 -4.741 0.935 15.304 1.00 0.00 C ATOM 668 NE ARG A 52 -5.946 0.408 16.006 1.00 0.00 N ATOM 669 CZ ARG A 52 -6.180 0.746 17.244 1.00 0.00 C ATOM 670 NH1 ARG A 52 -6.608 1.949 17.522 1.00 0.00 N ATOM 671 NH2 ARG A 52 -5.987 -0.114 18.205 1.00 0.00 N ATOM 0 H ARG A 52 -5.089 4.317 13.312 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.792 2.605 11.544 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.124 1.448 14.006 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.900 0.904 12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.262 2.535 13.930 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.487 2.956 15.111 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.312 0.162 14.666 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.976 1.211 16.030 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.588 -0.217 15.518 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.759 2.623 16.771 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.791 2.214 18.490 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.652 -1.053 17.989 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.171 0.152 19.172 1.00 0.00 H new ATOM 685 N GLN A 53 -8.486 4.430 12.384 1.00 0.00 N ATOM 686 CA GLN A 53 -9.658 5.144 12.967 1.00 0.00 C ATOM 687 C GLN A 53 -10.420 4.149 13.845 1.00 0.00 C ATOM 688 O GLN A 53 -10.332 2.952 13.645 1.00 0.00 O ATOM 689 CB GLN A 53 -10.568 5.654 11.848 1.00 0.00 C ATOM 690 CG GLN A 53 -10.287 7.136 11.592 1.00 0.00 C ATOM 691 CD GLN A 53 -11.602 7.917 11.608 1.00 0.00 C ATOM 692 OE1 GLN A 53 -12.639 7.376 11.938 1.00 0.00 O ATOM 693 NE2 GLN A 53 -11.603 9.175 11.263 1.00 0.00 N ATOM 0 H GLN A 53 -8.348 4.555 11.381 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.328 5.999 13.557 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.399 5.079 10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.613 5.514 12.124 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.612 7.525 12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.789 7.262 10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.732 9.629 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.474 9.705 11.270 1.00 0.00 H new ATOM 702 N LEU A 54 -11.140 4.612 14.831 1.00 0.00 N ATOM 703 CA LEU A 54 -11.856 3.650 15.717 1.00 0.00 C ATOM 704 C LEU A 54 -13.374 3.845 15.647 1.00 0.00 C ATOM 705 O LEU A 54 -13.958 4.567 16.430 1.00 0.00 O ATOM 706 CB LEU A 54 -11.387 3.847 17.158 1.00 0.00 C ATOM 707 CG LEU A 54 -11.882 2.683 18.020 1.00 0.00 C ATOM 708 CD1 LEU A 54 -10.712 1.748 18.332 1.00 0.00 C ATOM 709 CD2 LEU A 54 -12.466 3.226 19.325 1.00 0.00 C ATOM 0 H LEU A 54 -11.263 5.599 15.059 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.628 2.640 15.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.299 3.902 17.193 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.767 4.791 17.550 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.653 2.133 17.481 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.063 0.918 18.946 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.298 1.361 17.401 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.941 2.298 18.872 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.818 2.397 19.939 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.697 3.777 19.866 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.300 3.892 19.101 1.00 0.00 H new ATOM 721 N VAL A 55 -14.020 3.162 14.741 1.00 0.00 N ATOM 722 CA VAL A 55 -15.503 3.248 14.636 1.00 0.00 C ATOM 723 C VAL A 55 -16.056 1.880 15.031 1.00 0.00 C ATOM 724 O VAL A 55 -15.531 1.248 15.926 1.00 0.00 O ATOM 725 CB VAL A 55 -15.899 3.571 13.208 1.00 0.00 C ATOM 726 CG1 VAL A 55 -17.251 4.287 13.198 1.00 0.00 C ATOM 727 CG2 VAL A 55 -14.838 4.468 12.565 1.00 0.00 C ATOM 0 H VAL A 55 -13.578 2.542 14.063 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.897 4.031 15.284 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.977 2.644 12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -17.533 4.518 12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -18.007 3.642 13.646 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -17.177 5.212 13.770 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.128 4.697 11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.752 5.394 13.133 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.878 3.952 12.564 1.00 0.00 H new ATOM 737 N SER A 56 -17.084 1.396 14.375 1.00 0.00 N ATOM 738 CA SER A 56 -17.605 0.038 14.736 1.00 0.00 C ATOM 739 C SER A 56 -16.410 -0.896 14.973 1.00 0.00 C ATOM 740 O SER A 56 -16.460 -1.814 15.765 1.00 0.00 O ATOM 741 CB SER A 56 -18.464 -0.511 13.593 1.00 0.00 C ATOM 742 OG SER A 56 -17.620 -1.093 12.610 1.00 0.00 O ATOM 0 H SER A 56 -17.577 1.871 13.619 1.00 0.00 H new ATOM 0 HA SER A 56 -18.216 0.104 15.636 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.165 -1.254 13.974 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.057 0.290 13.152 1.00 0.00 H new ATOM 0 HG SER A 56 -16.878 -0.484 12.414 1.00 0.00 H new ATOM 748 N GLY A 57 -15.329 -0.626 14.297 1.00 0.00 N ATOM 749 CA GLY A 57 -14.083 -1.420 14.449 1.00 0.00 C ATOM 750 C GLY A 57 -12.931 -0.488 14.071 1.00 0.00 C ATOM 751 O GLY A 57 -12.839 0.611 14.582 1.00 0.00 O ATOM 0 H GLY A 57 -15.258 0.138 13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.973 -1.779 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.100 -2.298 13.804 1.00 0.00 H new ATOM 755 N ILE A 58 -12.058 -0.873 13.176 1.00 0.00 N ATOM 756 CA ILE A 58 -10.964 0.067 12.811 1.00 0.00 C ATOM 757 C ILE A 58 -11.021 0.419 11.333 1.00 0.00 C ATOM 758 O ILE A 58 -11.470 -0.344 10.504 1.00 0.00 O ATOM 759 CB ILE A 58 -9.601 -0.569 13.066 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.411 -0.781 14.555 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.496 0.345 12.537 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.877 -2.184 14.877 1.00 0.00 C ATOM 0 H ILE A 58 -12.055 -1.773 12.695 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.096 0.960 13.422 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.551 -1.529 12.552 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.364 -0.652 14.830 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.983 -0.047 15.123 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.525 -0.114 12.722 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.629 0.494 11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.545 1.308 13.046 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.754 -2.372 15.944 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.928 -2.289 14.608 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.284 -2.903 14.311 1.00 0.00 H new ATOM 774 N LYS A 59 -10.475 1.542 11.005 1.00 0.00 N ATOM 775 CA LYS A 59 -10.369 1.945 9.588 1.00 0.00 C ATOM 776 C LYS A 59 -8.895 2.171 9.386 1.00 0.00 C ATOM 777 O LYS A 59 -8.249 2.880 10.126 1.00 0.00 O ATOM 778 CB LYS A 59 -11.143 3.220 9.297 1.00 0.00 C ATOM 779 CG LYS A 59 -12.300 3.358 10.289 1.00 0.00 C ATOM 780 CD LYS A 59 -13.515 3.955 9.577 1.00 0.00 C ATOM 781 CE LYS A 59 -13.436 5.483 9.623 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.656 6.063 8.995 1.00 0.00 N ATOM 0 H LYS A 59 -10.090 2.212 11.671 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.788 1.191 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.482 4.083 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.526 3.200 8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.553 2.384 10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.004 3.995 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.547 3.613 8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.433 3.613 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.349 5.822 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.545 5.828 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.602 7.101 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.720 5.749 8.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.499 5.744 9.514 1.00 0.00 H new ATOM 796 N TYR A 60 -8.354 1.526 8.437 1.00 0.00 N ATOM 797 CA TYR A 60 -6.893 1.632 8.217 1.00 0.00 C ATOM 798 C TYR A 60 -6.600 2.685 7.167 1.00 0.00 C ATOM 799 O TYR A 60 -6.622 2.414 5.986 1.00 0.00 O ATOM 800 CB TYR A 60 -6.352 0.283 7.764 1.00 0.00 C ATOM 801 CG TYR A 60 -6.047 -0.615 8.964 1.00 0.00 C ATOM 802 CD1 TYR A 60 -5.549 -0.077 10.167 1.00 0.00 C ATOM 803 CD2 TYR A 60 -6.258 -2.002 8.871 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.268 -0.918 11.250 1.00 0.00 C ATOM 805 CE2 TYR A 60 -5.976 -2.834 9.958 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.481 -2.293 11.146 1.00 0.00 C ATOM 807 OH TYR A 60 -5.202 -3.119 12.217 1.00 0.00 O ATOM 0 H TYR A 60 -8.851 0.918 7.786 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.408 1.923 9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.079 -0.205 7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.447 0.429 7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.384 0.987 10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.640 -2.427 7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.885 -0.501 12.170 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.141 -3.898 9.879 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.408 -4.047 11.977 1.00 0.00 H new ATOM 817 N ILE A 61 -6.294 3.884 7.577 1.00 0.00 N ATOM 818 CA ILE A 61 -5.980 4.921 6.582 1.00 0.00 C ATOM 819 C ILE A 61 -4.470 5.000 6.486 1.00 0.00 C ATOM 820 O ILE A 61 -3.786 5.344 7.426 1.00 0.00 O ATOM 821 CB ILE A 61 -6.487 6.269 7.025 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.514 6.131 8.157 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.118 7.001 5.841 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.668 5.237 7.698 1.00 0.00 C ATOM 0 H ILE A 61 -6.250 4.180 8.552 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.448 4.667 5.631 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.640 6.843 7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.040 5.705 9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.892 7.113 8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.483 7.975 6.168 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.372 7.137 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.950 6.414 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.396 5.140 8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.148 5.682 6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.283 4.251 7.437 1.00 0.00 H new ATOM 836 N LEU A 62 -3.953 4.628 5.383 1.00 0.00 N ATOM 837 CA LEU A 62 -2.521 4.591 5.191 1.00 0.00 C ATOM 838 C LEU A 62 -2.102 5.470 4.035 1.00 0.00 C ATOM 839 O LEU A 62 -2.708 5.470 2.989 1.00 0.00 O ATOM 840 CB LEU A 62 -2.258 3.185 4.790 1.00 0.00 C ATOM 841 CG LEU A 62 -1.014 2.637 5.437 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.948 1.171 5.103 1.00 0.00 C ATOM 843 CD2 LEU A 62 0.197 3.321 4.859 1.00 0.00 C ATOM 0 H LEU A 62 -4.495 4.335 4.570 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.991 4.926 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.112 2.565 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.157 3.130 3.706 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.036 2.799 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.057 0.735 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.835 0.669 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.904 1.046 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.097 2.924 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.238 3.142 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.133 4.393 5.046 1.00 0.00 H new ATOM 855 N GLN A 63 -1.005 6.114 4.153 1.00 0.00 N ATOM 856 CA GLN A 63 -0.505 6.840 3.002 1.00 0.00 C ATOM 857 C GLN A 63 0.472 5.858 2.462 1.00 0.00 C ATOM 858 O GLN A 63 0.905 4.981 3.171 1.00 0.00 O ATOM 859 CB GLN A 63 0.197 8.115 3.403 1.00 0.00 C ATOM 860 CG GLN A 63 -0.742 8.999 4.229 1.00 0.00 C ATOM 861 CD GLN A 63 -2.070 9.181 3.491 1.00 0.00 C ATOM 862 OE1 GLN A 63 -2.168 8.906 2.312 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.104 9.644 4.140 1.00 0.00 N ATOM 0 H GLN A 63 -0.435 6.168 4.997 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.282 7.157 2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.090 7.880 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.526 8.653 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.917 8.546 5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.279 9.970 4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.023 9.875 5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.993 9.774 3.657 1.00 0.00 H new ATOM 872 N VAL A 64 0.834 5.931 1.263 1.00 0.00 N ATOM 873 CA VAL A 64 1.773 4.893 0.828 1.00 0.00 C ATOM 874 C VAL A 64 2.692 5.392 -0.227 1.00 0.00 C ATOM 875 O VAL A 64 2.563 6.462 -0.789 1.00 0.00 O ATOM 876 CB VAL A 64 1.047 3.593 0.345 1.00 0.00 C ATOM 877 CG1 VAL A 64 -0.295 3.414 1.058 1.00 0.00 C ATOM 878 CG2 VAL A 64 0.809 3.652 -1.155 1.00 0.00 C ATOM 0 H VAL A 64 0.548 6.625 0.573 1.00 0.00 H new ATOM 0 HA VAL A 64 2.364 4.633 1.706 1.00 0.00 H new ATOM 0 HB VAL A 64 1.689 2.745 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.777 2.503 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.129 3.341 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.936 4.270 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.303 2.742 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.188 4.516 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.765 3.740 -1.672 1.00 0.00 H new ATOM 888 N GLU A 65 3.653 4.600 -0.421 1.00 0.00 N ATOM 889 CA GLU A 65 4.716 4.888 -1.333 1.00 0.00 C ATOM 890 C GLU A 65 4.849 3.744 -2.305 1.00 0.00 C ATOM 891 O GLU A 65 5.181 2.648 -1.911 1.00 0.00 O ATOM 892 CB GLU A 65 5.949 4.936 -0.456 1.00 0.00 C ATOM 893 CG GLU A 65 5.851 3.883 0.666 1.00 0.00 C ATOM 894 CD GLU A 65 7.238 3.448 1.150 1.00 0.00 C ATOM 895 OE1 GLU A 65 8.154 4.239 1.071 1.00 0.00 O ATOM 896 OE2 GLU A 65 7.353 2.323 1.605 1.00 0.00 O ATOM 0 H GLU A 65 3.746 3.701 0.053 1.00 0.00 H new ATOM 0 HA GLU A 65 4.558 5.806 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.839 4.753 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.056 5.930 -0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.284 4.293 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.302 3.014 0.304 1.00 0.00 H new ATOM 903 N ILE A 66 4.589 3.941 -3.555 1.00 0.00 N ATOM 904 CA ILE A 66 4.722 2.801 -4.447 1.00 0.00 C ATOM 905 C ILE A 66 5.661 3.083 -5.583 1.00 0.00 C ATOM 906 O ILE A 66 5.445 3.910 -6.445 1.00 0.00 O ATOM 907 CB ILE A 66 3.362 2.324 -4.935 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.211 3.180 -4.335 1.00 0.00 C ATOM 909 CG2 ILE A 66 3.190 0.863 -4.517 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.907 2.357 -4.209 1.00 0.00 C ATOM 0 H ILE A 66 4.298 4.822 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 66 5.166 1.987 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 66 3.317 2.425 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.505 3.552 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.035 4.051 -4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.220 0.499 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.981 0.261 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.246 0.786 -3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.121 2.983 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.601 2.007 -5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.079 1.501 -3.557 1.00 0.00 H new ATOM 922 N GLY A 67 6.716 2.337 -5.533 1.00 0.00 N ATOM 923 CA GLY A 67 7.777 2.388 -6.515 1.00 0.00 C ATOM 924 C GLY A 67 7.273 1.572 -7.714 1.00 0.00 C ATOM 925 O GLY A 67 6.160 1.085 -7.686 1.00 0.00 O ATOM 0 H GLY A 67 6.879 1.654 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.993 3.416 -6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.700 1.968 -6.116 1.00 0.00 H new ATOM 929 N ARG A 68 8.059 1.363 -8.732 1.00 0.00 N ATOM 930 CA ARG A 68 7.584 0.556 -9.882 1.00 0.00 C ATOM 931 C ARG A 68 8.788 0.289 -10.707 1.00 0.00 C ATOM 932 O ARG A 68 9.794 0.958 -10.578 1.00 0.00 O ATOM 933 CB ARG A 68 6.567 1.291 -10.752 1.00 0.00 C ATOM 934 CG ARG A 68 5.269 1.536 -9.980 1.00 0.00 C ATOM 935 CD ARG A 68 4.140 1.844 -10.966 1.00 0.00 C ATOM 936 NE ARG A 68 3.548 0.568 -11.457 1.00 0.00 N ATOM 937 CZ ARG A 68 3.530 0.308 -12.734 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.497 0.734 -13.499 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.546 -0.380 -13.247 1.00 0.00 N ATOM 0 H ARG A 68 9.012 1.718 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 68 7.090 -0.341 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.984 2.242 -11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.358 0.706 -11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.017 0.659 -9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.397 2.367 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.374 2.450 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.523 2.426 -11.804 1.00 0.00 H new ATOM 0 HE ARG A 68 3.157 -0.102 -10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.266 1.270 -13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.484 0.531 -14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.791 -0.714 -12.648 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.532 -0.583 -14.246 1.00 0.00 H new ATOM 953 N THR A 69 8.753 -0.696 -11.519 1.00 0.00 N ATOM 954 CA THR A 69 9.948 -0.980 -12.266 1.00 0.00 C ATOM 955 C THR A 69 9.582 -1.744 -13.532 1.00 0.00 C ATOM 956 O THR A 69 9.413 -2.947 -13.508 1.00 0.00 O ATOM 957 CB THR A 69 10.893 -1.760 -11.356 1.00 0.00 C ATOM 958 OG1 THR A 69 10.947 -3.122 -11.758 1.00 0.00 O ATOM 959 CG2 THR A 69 10.433 -1.657 -9.884 1.00 0.00 C ATOM 0 H THR A 69 7.954 -1.306 -11.691 1.00 0.00 H new ATOM 0 HA THR A 69 10.454 -0.069 -12.584 1.00 0.00 H new ATOM 0 HB THR A 69 11.890 -1.328 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.616 -3.595 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.118 -2.219 -9.249 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.428 -0.611 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.428 -2.068 -9.787 1.00 0.00 H new ATOM 967 N THR A 70 9.418 -1.018 -14.617 1.00 0.00 N ATOM 968 CA THR A 70 9.023 -1.632 -15.932 1.00 0.00 C ATOM 969 C THR A 70 9.418 -3.118 -15.999 1.00 0.00 C ATOM 970 O THR A 70 8.765 -3.957 -15.412 1.00 0.00 O ATOM 971 CB THR A 70 9.681 -0.855 -17.085 1.00 0.00 C ATOM 972 OG1 THR A 70 9.617 -1.631 -18.273 1.00 0.00 O ATOM 973 CG2 THR A 70 11.146 -0.542 -16.758 1.00 0.00 C ATOM 0 H THR A 70 9.544 -0.006 -14.647 1.00 0.00 H new ATOM 0 HA THR A 70 7.939 -1.572 -16.025 1.00 0.00 H new ATOM 0 HB THR A 70 9.146 0.084 -17.225 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.034 -1.137 -19.009 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.594 0.008 -17.586 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.196 0.062 -15.852 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.691 -1.473 -16.604 1.00 0.00 H new ATOM 981 N CYS A 71 10.469 -3.457 -16.713 1.00 0.00 N ATOM 982 CA CYS A 71 10.889 -4.890 -16.811 1.00 0.00 C ATOM 983 C CYS A 71 9.658 -5.801 -16.820 1.00 0.00 C ATOM 984 O CYS A 71 9.473 -6.600 -15.923 1.00 0.00 O ATOM 985 CB CYS A 71 11.772 -5.242 -15.612 1.00 0.00 C ATOM 986 SG CYS A 71 12.856 -3.843 -15.227 1.00 0.00 S ATOM 0 H CYS A 71 11.053 -2.801 -17.231 1.00 0.00 H new ATOM 0 HA CYS A 71 11.446 -5.036 -17.737 1.00 0.00 H new ATOM 0 HB2 CYS A 71 11.152 -5.483 -14.749 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.368 -6.127 -15.834 1.00 0.00 H new ATOM 991 N PRO A 72 8.849 -5.645 -17.833 1.00 0.00 N ATOM 992 CA PRO A 72 7.593 -6.434 -18.010 1.00 0.00 C ATOM 993 C PRO A 72 7.908 -7.822 -18.561 1.00 0.00 C ATOM 994 O PRO A 72 7.882 -8.810 -17.854 1.00 0.00 O ATOM 995 CB PRO A 72 6.805 -5.609 -19.019 1.00 0.00 C ATOM 996 CG PRO A 72 7.816 -4.774 -19.799 1.00 0.00 C ATOM 997 CD PRO A 72 9.082 -4.665 -18.942 1.00 0.00 C ATOM 0 HA PRO A 72 7.049 -6.599 -17.080 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.240 -6.257 -19.690 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.083 -4.967 -18.513 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.041 -5.241 -20.758 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.412 -3.785 -20.014 1.00 0.00 H new ATOM 0 HD2 PRO A 72 9.975 -4.914 -19.515 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.220 -3.654 -18.560 1.00 0.00 H new ATOM 1005 N LYS A 73 8.206 -7.894 -19.820 1.00 0.00 N ATOM 1006 CA LYS A 73 8.531 -9.210 -20.442 1.00 0.00 C ATOM 1007 C LYS A 73 9.264 -8.980 -21.769 1.00 0.00 C ATOM 1008 O LYS A 73 10.429 -9.300 -21.902 1.00 0.00 O ATOM 1009 CB LYS A 73 7.242 -10.005 -20.700 1.00 0.00 C ATOM 1010 CG LYS A 73 6.042 -9.056 -20.767 1.00 0.00 C ATOM 1011 CD LYS A 73 4.747 -9.870 -20.779 1.00 0.00 C ATOM 1012 CE LYS A 73 3.655 -9.088 -21.510 1.00 0.00 C ATOM 1013 NZ LYS A 73 2.386 -9.867 -21.489 1.00 0.00 N ATOM 0 H LYS A 73 8.240 -7.096 -20.454 1.00 0.00 H new ATOM 0 HA LYS A 73 9.168 -9.777 -19.763 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.329 -10.560 -21.634 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.092 -10.737 -19.907 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.051 -8.380 -19.912 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.104 -8.438 -21.663 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.913 -10.828 -21.271 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.432 -10.086 -19.758 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.507 -8.119 -21.034 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.958 -8.895 -22.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.644 -9.335 -21.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.532 -10.782 -21.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.095 -10.029 -20.504 1.00 0.00 H new ATOM 1027 N SER A 74 8.599 -8.427 -22.753 1.00 0.00 N ATOM 1028 CA SER A 74 9.274 -8.184 -24.058 1.00 0.00 C ATOM 1029 C SER A 74 10.653 -7.565 -23.808 1.00 0.00 C ATOM 1030 O SER A 74 11.669 -8.136 -24.152 1.00 0.00 O ATOM 1031 CB SER A 74 8.429 -7.223 -24.898 1.00 0.00 C ATOM 1032 OG SER A 74 7.706 -7.959 -25.874 1.00 0.00 O ATOM 0 H SER A 74 7.623 -8.136 -22.706 1.00 0.00 H new ATOM 0 HA SER A 74 9.388 -9.128 -24.591 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.740 -6.673 -24.257 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.070 -6.487 -25.383 1.00 0.00 H new ATOM 0 HG SER A 74 7.163 -7.345 -26.411 1.00 0.00 H new ATOM 1038 N SER A 75 10.700 -6.402 -23.207 1.00 0.00 N ATOM 1039 CA SER A 75 12.018 -5.761 -22.937 1.00 0.00 C ATOM 1040 C SER A 75 12.713 -6.491 -21.788 1.00 0.00 C ATOM 1041 O SER A 75 13.385 -7.484 -21.988 1.00 0.00 O ATOM 1042 CB SER A 75 11.804 -4.292 -22.563 1.00 0.00 C ATOM 1043 OG SER A 75 11.311 -3.583 -23.691 1.00 0.00 O ATOM 0 H SER A 75 9.886 -5.873 -22.894 1.00 0.00 H new ATOM 0 HA SER A 75 12.642 -5.818 -23.829 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.099 -4.215 -21.735 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.742 -3.851 -22.225 1.00 0.00 H new ATOM 0 HG SER A 75 11.172 -2.643 -23.451 1.00 0.00 H new ATOM 1049 N GLY A 76 12.554 -6.011 -20.589 1.00 0.00 N ATOM 1050 CA GLY A 76 13.203 -6.677 -19.426 1.00 0.00 C ATOM 1051 C GLY A 76 14.640 -6.172 -19.285 1.00 0.00 C ATOM 1052 O GLY A 76 15.578 -6.806 -19.728 1.00 0.00 O ATOM 0 H GLY A 76 12.001 -5.184 -20.362 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.642 -6.469 -18.515 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.198 -7.758 -19.563 1.00 0.00 H new ATOM 1056 N ASP A 77 14.824 -5.035 -18.672 1.00 0.00 N ATOM 1057 CA ASP A 77 16.201 -4.493 -18.503 1.00 0.00 C ATOM 1058 C ASP A 77 16.905 -5.238 -17.367 1.00 0.00 C ATOM 1059 O ASP A 77 18.091 -5.088 -17.157 1.00 0.00 O ATOM 1060 CB ASP A 77 16.127 -3.002 -18.166 1.00 0.00 C ATOM 1061 CG ASP A 77 14.929 -2.375 -18.882 1.00 0.00 C ATOM 1062 OD1 ASP A 77 13.840 -2.432 -18.333 1.00 0.00 O ATOM 1063 OD2 ASP A 77 15.119 -1.849 -19.966 1.00 0.00 O ATOM 0 H ASP A 77 14.080 -4.458 -18.281 1.00 0.00 H new ATOM 0 HA ASP A 77 16.760 -4.628 -19.429 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.032 -2.866 -17.089 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.047 -2.504 -18.470 1.00 0.00 H new ATOM 1068 N LEU A 78 16.180 -6.039 -16.633 1.00 0.00 N ATOM 1069 CA LEU A 78 16.802 -6.794 -15.508 1.00 0.00 C ATOM 1070 C LEU A 78 17.585 -5.827 -14.610 1.00 0.00 C ATOM 1071 O LEU A 78 17.058 -5.298 -13.653 1.00 0.00 O ATOM 1072 CB LEU A 78 17.753 -7.856 -16.066 1.00 0.00 C ATOM 1073 CG LEU A 78 16.957 -9.103 -16.456 1.00 0.00 C ATOM 1074 CD1 LEU A 78 16.427 -9.788 -15.195 1.00 0.00 C ATOM 1075 CD2 LEU A 78 15.784 -8.702 -17.351 1.00 0.00 C ATOM 0 H LEU A 78 15.182 -6.203 -16.765 1.00 0.00 H new ATOM 0 HA LEU A 78 16.020 -7.279 -14.924 1.00 0.00 H new ATOM 0 HB2 LEU A 78 18.283 -7.464 -16.934 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.507 -8.111 -15.321 1.00 0.00 H new ATOM 0 HG LEU A 78 17.606 -9.792 -16.996 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.860 -10.676 -15.474 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.264 -10.077 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.779 -9.100 -14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.217 -9.591 -17.628 1.00 0.00 H new ATOM 0 HD22 LEU A 78 15.135 -8.011 -16.813 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.162 -8.217 -18.251 1.00 0.00 H new ATOM 1087 N GLN A 79 18.840 -5.588 -14.907 1.00 0.00 N ATOM 1088 CA GLN A 79 19.636 -4.655 -14.063 1.00 0.00 C ATOM 1089 C GLN A 79 19.018 -3.259 -14.122 1.00 0.00 C ATOM 1090 O GLN A 79 18.287 -2.929 -15.035 1.00 0.00 O ATOM 1091 CB GLN A 79 21.075 -4.598 -14.581 1.00 0.00 C ATOM 1092 CG GLN A 79 21.645 -6.016 -14.658 1.00 0.00 C ATOM 1093 CD GLN A 79 23.028 -6.046 -14.005 1.00 0.00 C ATOM 1094 OE1 GLN A 79 23.287 -6.857 -13.140 1.00 0.00 O ATOM 1095 NE2 GLN A 79 23.935 -5.187 -14.387 1.00 0.00 N ATOM 0 H GLN A 79 19.342 -5.999 -15.694 1.00 0.00 H new ATOM 0 HA GLN A 79 19.635 -5.009 -13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 79 21.100 -4.130 -15.565 1.00 0.00 H new ATOM 0 HB3 GLN A 79 21.687 -3.984 -13.920 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.978 -6.715 -14.154 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.715 -6.335 -15.698 1.00 0.00 H new ATOM 0 HE21 GLN A 79 23.718 -4.505 -15.114 1.00 0.00 H new ATOM 0 HE22 GLN A 79 24.860 -5.198 -13.958 1.00 0.00 H new ATOM 1104 N SER A 80 19.309 -2.434 -13.155 1.00 0.00 N ATOM 1105 CA SER A 80 18.742 -1.055 -13.151 1.00 0.00 C ATOM 1106 C SER A 80 17.234 -1.111 -13.414 1.00 0.00 C ATOM 1107 O SER A 80 16.668 -0.216 -14.010 1.00 0.00 O ATOM 1108 CB SER A 80 19.418 -0.228 -14.247 1.00 0.00 C ATOM 1109 OG SER A 80 20.825 -0.417 -14.184 1.00 0.00 O ATOM 0 H SER A 80 19.916 -2.655 -12.366 1.00 0.00 H new ATOM 0 HA SER A 80 18.919 -0.595 -12.179 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.044 -0.527 -15.226 1.00 0.00 H new ATOM 0 HB3 SER A 80 19.176 0.828 -14.122 1.00 0.00 H new ATOM 0 HG SER A 80 21.258 0.111 -14.887 1.00 0.00 H new ATOM 1115 N CYS A 81 16.574 -2.148 -12.972 1.00 0.00 N ATOM 1116 CA CYS A 81 15.104 -2.242 -13.199 1.00 0.00 C ATOM 1117 C CYS A 81 14.399 -1.169 -12.367 1.00 0.00 C ATOM 1118 O CYS A 81 14.431 -1.193 -11.153 1.00 0.00 O ATOM 1119 CB CYS A 81 14.609 -3.627 -12.771 1.00 0.00 C ATOM 1120 SG CYS A 81 14.407 -4.675 -14.233 1.00 0.00 S ATOM 0 H CYS A 81 16.988 -2.931 -12.466 1.00 0.00 H new ATOM 0 HA CYS A 81 14.885 -2.091 -14.256 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.319 -4.081 -12.080 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.661 -3.538 -12.240 1.00 0.00 H new ATOM 1125 N GLU A 82 13.768 -0.221 -13.007 1.00 0.00 N ATOM 1126 CA GLU A 82 13.075 0.853 -12.242 1.00 0.00 C ATOM 1127 C GLU A 82 11.860 1.355 -13.024 1.00 0.00 C ATOM 1128 O GLU A 82 11.608 0.943 -14.145 1.00 0.00 O ATOM 1129 CB GLU A 82 14.042 2.015 -12.010 1.00 0.00 C ATOM 1130 CG GLU A 82 15.188 1.555 -11.108 1.00 0.00 C ATOM 1131 CD GLU A 82 15.661 2.728 -10.246 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.221 3.658 -10.803 1.00 0.00 O ATOM 1133 OE2 GLU A 82 15.457 2.675 -9.045 1.00 0.00 O ATOM 0 H GLU A 82 13.703 -0.145 -14.022 1.00 0.00 H new ATOM 0 HA GLU A 82 12.743 0.451 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.435 2.370 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 82 13.517 2.852 -11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.858 0.733 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.013 1.179 -11.713 1.00 0.00 H new ATOM 1140 N PHE A 83 11.087 2.222 -12.416 1.00 0.00 N ATOM 1141 CA PHE A 83 9.869 2.772 -13.088 1.00 0.00 C ATOM 1142 C PHE A 83 10.165 2.925 -14.587 1.00 0.00 C ATOM 1143 O PHE A 83 9.353 2.604 -15.433 1.00 0.00 O ATOM 1144 CB PHE A 83 9.570 4.149 -12.521 1.00 0.00 C ATOM 1145 CG PHE A 83 8.599 4.121 -11.357 1.00 0.00 C ATOM 1146 CD1 PHE A 83 9.090 3.944 -10.065 1.00 0.00 C ATOM 1147 CD2 PHE A 83 7.218 4.337 -11.548 1.00 0.00 C ATOM 1148 CE1 PHE A 83 8.228 3.971 -8.990 1.00 0.00 C ATOM 1149 CE2 PHE A 83 6.345 4.368 -10.447 1.00 0.00 C ATOM 1150 CZ PHE A 83 6.866 4.180 -9.155 1.00 0.00 C ATOM 0 H PHE A 83 11.250 2.575 -11.473 1.00 0.00 H new ATOM 0 HA PHE A 83 9.022 2.105 -12.927 1.00 0.00 H new ATOM 0 HB2 PHE A 83 10.502 4.611 -12.196 1.00 0.00 H new ATOM 0 HB3 PHE A 83 9.161 4.779 -13.311 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.146 3.786 -9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.830 4.479 -12.546 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.622 3.826 -7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.288 4.534 -10.592 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.211 4.198 -8.297 1.00 0.00 H new ATOM 1160 N HIS A 84 11.350 3.405 -14.915 1.00 0.00 N ATOM 1161 CA HIS A 84 11.735 3.571 -16.345 1.00 0.00 C ATOM 1162 C HIS A 84 13.256 3.473 -16.479 1.00 0.00 C ATOM 1163 O HIS A 84 13.898 4.267 -17.137 1.00 0.00 O ATOM 1164 CB HIS A 84 11.252 4.917 -16.875 1.00 0.00 C ATOM 1165 CG HIS A 84 9.887 4.759 -17.486 1.00 0.00 C ATOM 1166 ND1 HIS A 84 8.726 5.054 -16.789 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.481 4.339 -18.729 1.00 0.00 C ATOM 1168 CE1 HIS A 84 7.687 4.809 -17.609 1.00 0.00 C ATOM 1169 NE2 HIS A 84 8.092 4.372 -18.804 1.00 0.00 N ATOM 0 H HIS A 84 12.064 3.688 -14.243 1.00 0.00 H new ATOM 0 HA HIS A 84 11.267 2.781 -16.931 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.217 5.646 -16.066 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.952 5.299 -17.618 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.140 4.030 -19.527 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.652 4.949 -17.334 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.508 4.117 -19.601 1.00 0.00 H new ATOM 1177 N ASP A 85 13.814 2.469 -15.874 1.00 0.00 N ATOM 1178 CA ASP A 85 15.290 2.224 -15.950 1.00 0.00 C ATOM 1179 C ASP A 85 16.113 3.484 -15.625 1.00 0.00 C ATOM 1180 O ASP A 85 17.209 3.639 -16.123 1.00 0.00 O ATOM 1181 CB ASP A 85 15.642 1.753 -17.362 1.00 0.00 C ATOM 1182 CG ASP A 85 16.731 0.682 -17.286 1.00 0.00 C ATOM 1183 OD1 ASP A 85 17.770 0.962 -16.709 1.00 0.00 O ATOM 1184 OD2 ASP A 85 16.510 -0.399 -17.806 1.00 0.00 O ATOM 0 H ASP A 85 13.303 1.787 -15.314 1.00 0.00 H new ATOM 0 HA ASP A 85 15.538 1.466 -15.207 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.756 1.352 -17.854 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.986 2.595 -17.962 1.00 0.00 H new ATOM 1189 N GLU A 86 15.622 4.367 -14.790 1.00 0.00 N ATOM 1190 CA GLU A 86 16.426 5.593 -14.447 1.00 0.00 C ATOM 1191 C GLU A 86 15.508 6.686 -13.894 1.00 0.00 C ATOM 1192 O GLU A 86 14.326 6.659 -14.121 1.00 0.00 O ATOM 1193 CB GLU A 86 17.117 6.129 -15.703 1.00 0.00 C ATOM 1194 CG GLU A 86 18.623 5.875 -15.607 1.00 0.00 C ATOM 1195 CD GLU A 86 19.109 5.197 -16.888 1.00 0.00 C ATOM 1196 OE1 GLU A 86 19.032 5.824 -17.933 1.00 0.00 O ATOM 1197 OE2 GLU A 86 19.550 4.063 -16.806 1.00 0.00 O ATOM 0 H GLU A 86 14.712 4.299 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 86 17.170 5.321 -13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.711 5.642 -16.590 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.924 7.196 -15.809 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.152 6.816 -15.458 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.842 5.246 -14.744 1.00 0.00 H new ATOM 1204 N PRO A 87 16.095 7.637 -13.212 1.00 0.00 N ATOM 1205 CA PRO A 87 15.354 8.799 -12.614 1.00 0.00 C ATOM 1206 C PRO A 87 14.747 9.629 -13.751 1.00 0.00 C ATOM 1207 O PRO A 87 14.432 9.079 -14.780 1.00 0.00 O ATOM 1208 CB PRO A 87 16.446 9.547 -11.848 1.00 0.00 C ATOM 1209 CG PRO A 87 17.770 9.132 -12.471 1.00 0.00 C ATOM 1210 CD PRO A 87 17.572 7.704 -12.980 1.00 0.00 C ATOM 0 HA PRO A 87 14.523 8.536 -11.960 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.303 10.625 -11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.419 9.294 -10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.044 9.802 -13.286 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.576 9.176 -11.738 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.134 7.519 -13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.901 6.965 -12.249 1.00 0.00 H new ATOM 1218 N GLU A 88 14.586 10.923 -13.583 1.00 0.00 N ATOM 1219 CA GLU A 88 14.004 11.780 -14.677 1.00 0.00 C ATOM 1220 C GLU A 88 12.983 10.989 -15.508 1.00 0.00 C ATOM 1221 O GLU A 88 12.844 11.187 -16.699 1.00 0.00 O ATOM 1222 CB GLU A 88 15.131 12.260 -15.592 1.00 0.00 C ATOM 1223 CG GLU A 88 16.401 12.478 -14.768 1.00 0.00 C ATOM 1224 CD GLU A 88 16.177 13.622 -13.778 1.00 0.00 C ATOM 1225 OE1 GLU A 88 15.155 13.611 -13.110 1.00 0.00 O ATOM 1226 OE2 GLU A 88 17.032 14.489 -13.701 1.00 0.00 O ATOM 0 H GLU A 88 14.833 11.427 -12.732 1.00 0.00 H new ATOM 0 HA GLU A 88 13.498 12.630 -14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.315 11.525 -16.376 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.842 13.187 -16.086 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.661 11.565 -14.232 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.238 12.711 -15.426 1.00 0.00 H new ATOM 1233 N LEU A 89 12.264 10.110 -14.877 1.00 0.00 N ATOM 1234 CA LEU A 89 11.227 9.288 -15.573 1.00 0.00 C ATOM 1235 C LEU A 89 10.858 8.123 -14.659 1.00 0.00 C ATOM 1236 O LEU A 89 9.708 7.735 -14.572 1.00 0.00 O ATOM 1237 CB LEU A 89 11.655 8.772 -16.974 1.00 0.00 C ATOM 1238 CG LEU A 89 13.162 8.489 -17.097 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.491 7.119 -16.507 1.00 0.00 C ATOM 1240 CD2 LEU A 89 13.547 8.494 -18.577 1.00 0.00 C ATOM 0 H LEU A 89 12.351 9.918 -13.879 1.00 0.00 H new ATOM 0 HA LEU A 89 10.369 9.932 -15.765 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.104 7.859 -17.199 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.371 9.509 -17.725 1.00 0.00 H new ATOM 0 HG LEU A 89 13.716 9.256 -16.555 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.560 6.930 -16.600 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.209 7.099 -15.454 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.938 6.349 -17.045 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.614 8.294 -18.676 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.983 7.723 -19.102 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.319 9.468 -19.009 1.00 0.00 H new ATOM 1252 N ALA A 90 11.806 7.591 -13.930 1.00 0.00 N ATOM 1253 CA ALA A 90 11.472 6.502 -12.984 1.00 0.00 C ATOM 1254 C ALA A 90 11.061 7.125 -11.676 1.00 0.00 C ATOM 1255 O ALA A 90 11.501 6.729 -10.615 1.00 0.00 O ATOM 1256 CB ALA A 90 12.647 5.556 -12.737 1.00 0.00 C ATOM 0 H ALA A 90 12.788 7.866 -13.953 1.00 0.00 H new ATOM 0 HA ALA A 90 10.667 5.910 -13.420 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.346 4.777 -12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.950 5.099 -13.679 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.484 6.116 -12.320 1.00 0.00 H new ATOM 1262 N LYS A 91 10.209 8.099 -11.745 1.00 0.00 N ATOM 1263 CA LYS A 91 9.745 8.744 -10.525 1.00 0.00 C ATOM 1264 C LYS A 91 9.096 7.679 -9.665 1.00 0.00 C ATOM 1265 O LYS A 91 9.413 6.509 -9.739 1.00 0.00 O ATOM 1266 CB LYS A 91 8.724 9.830 -10.868 1.00 0.00 C ATOM 1267 CG LYS A 91 9.223 10.636 -12.069 1.00 0.00 C ATOM 1268 CD LYS A 91 8.624 12.043 -12.027 1.00 0.00 C ATOM 1269 CE LYS A 91 9.594 13.034 -12.673 1.00 0.00 C ATOM 1270 NZ LYS A 91 9.334 14.401 -12.143 1.00 0.00 N ATOM 0 H LYS A 91 9.817 8.471 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 91 10.576 9.210 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.758 9.378 -11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.575 10.488 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.311 10.693 -12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.942 10.138 -12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.669 12.058 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.425 12.334 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.623 12.741 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.474 13.023 -13.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.993 15.075 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.357 14.679 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.470 14.405 -11.112 1.00 0.00 H new ATOM 1284 N TYR A 92 8.232 8.080 -8.820 1.00 0.00 N ATOM 1285 CA TYR A 92 7.593 7.146 -7.904 1.00 0.00 C ATOM 1286 C TYR A 92 6.167 7.605 -7.677 1.00 0.00 C ATOM 1287 O TYR A 92 5.732 8.610 -8.205 1.00 0.00 O ATOM 1288 CB TYR A 92 8.431 7.212 -6.657 1.00 0.00 C ATOM 1289 CG TYR A 92 9.859 6.941 -7.094 1.00 0.00 C ATOM 1290 CD1 TYR A 92 10.299 5.620 -7.230 1.00 0.00 C ATOM 1291 CD2 TYR A 92 10.721 7.996 -7.436 1.00 0.00 C ATOM 1292 CE1 TYR A 92 11.584 5.346 -7.692 1.00 0.00 C ATOM 1293 CE2 TYR A 92 12.012 7.720 -7.893 1.00 0.00 C ATOM 1294 CZ TYR A 92 12.445 6.395 -8.023 1.00 0.00 C ATOM 1295 OH TYR A 92 13.719 6.125 -8.481 1.00 0.00 O ATOM 0 H TYR A 92 7.930 9.049 -8.721 1.00 0.00 H new ATOM 0 HA TYR A 92 7.536 6.120 -8.267 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.348 8.190 -6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.101 6.474 -5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.637 4.806 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.386 9.019 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.915 4.323 -7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.678 8.531 -8.147 1.00 0.00 H new ATOM 0 HH TYR A 92 14.185 6.967 -8.666 1.00 0.00 H new ATOM 1305 N THR A 93 5.432 6.868 -6.933 1.00 0.00 N ATOM 1306 CA THR A 93 4.008 7.248 -6.708 1.00 0.00 C ATOM 1307 C THR A 93 3.655 7.236 -5.222 1.00 0.00 C ATOM 1308 O THR A 93 4.393 6.758 -4.390 1.00 0.00 O ATOM 1309 CB THR A 93 3.093 6.290 -7.494 1.00 0.00 C ATOM 1310 OG1 THR A 93 1.767 6.796 -7.480 1.00 0.00 O ATOM 1311 CG2 THR A 93 3.104 4.879 -6.887 1.00 0.00 C ATOM 0 H THR A 93 5.739 6.016 -6.463 1.00 0.00 H new ATOM 0 HA THR A 93 3.858 8.266 -7.067 1.00 0.00 H new ATOM 0 HB THR A 93 3.465 6.223 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.181 6.191 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.448 4.229 -7.466 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.119 4.482 -6.908 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.753 4.924 -5.856 1.00 0.00 H new ATOM 1319 N THR A 94 2.517 7.786 -4.903 1.00 0.00 N ATOM 1320 CA THR A 94 2.056 7.842 -3.486 1.00 0.00 C ATOM 1321 C THR A 94 0.590 7.406 -3.459 1.00 0.00 C ATOM 1322 O THR A 94 -0.237 7.966 -4.150 1.00 0.00 O ATOM 1323 CB THR A 94 2.185 9.279 -2.967 1.00 0.00 C ATOM 1324 OG1 THR A 94 3.554 9.569 -2.723 1.00 0.00 O ATOM 1325 CG2 THR A 94 1.391 9.437 -1.668 1.00 0.00 C ATOM 0 H THR A 94 1.875 8.206 -5.575 1.00 0.00 H new ATOM 0 HA THR A 94 2.657 7.188 -2.854 1.00 0.00 H new ATOM 0 HB THR A 94 1.790 9.968 -3.713 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.640 10.488 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.487 10.460 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.340 9.215 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.779 8.748 -0.918 1.00 0.00 H new ATOM 1333 N CYS A 95 0.261 6.393 -2.708 1.00 0.00 N ATOM 1334 CA CYS A 95 -1.169 5.928 -2.713 1.00 0.00 C ATOM 1335 C CYS A 95 -1.745 5.824 -1.296 1.00 0.00 C ATOM 1336 O CYS A 95 -1.041 5.744 -0.323 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.233 4.559 -3.412 1.00 0.00 C ATOM 1338 SG CYS A 95 -2.812 3.733 -3.068 1.00 0.00 S ATOM 0 H CYS A 95 0.896 5.873 -2.103 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.772 6.661 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.112 4.689 -4.487 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.408 3.933 -3.072 1.00 0.00 H new ATOM 1343 N THR A 96 -3.044 5.813 -1.195 1.00 0.00 N ATOM 1344 CA THR A 96 -3.707 5.695 0.134 1.00 0.00 C ATOM 1345 C THR A 96 -4.353 4.311 0.236 1.00 0.00 C ATOM 1346 O THR A 96 -4.823 3.762 -0.737 1.00 0.00 O ATOM 1347 CB THR A 96 -4.795 6.767 0.264 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.246 8.039 -0.049 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.332 6.778 1.696 1.00 0.00 C ATOM 0 H THR A 96 -3.683 5.882 -1.987 1.00 0.00 H new ATOM 0 HA THR A 96 -2.972 5.830 0.927 1.00 0.00 H new ATOM 0 HB THR A 96 -5.609 6.545 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.621 8.308 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.106 7.540 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.754 5.802 1.934 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.519 7.000 2.388 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.386 3.755 1.412 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.006 2.418 1.604 1.00 0.00 C ATOM 1359 C PHE A 97 -6.081 2.544 2.676 1.00 0.00 C ATOM 1360 O PHE A 97 -5.851 3.103 3.726 1.00 0.00 O ATOM 1361 CB PHE A 97 -3.964 1.411 2.096 1.00 0.00 C ATOM 1362 CG PHE A 97 -2.929 1.116 1.009 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.233 1.311 -0.354 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.670 0.603 1.360 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.290 1.001 -1.335 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.740 0.286 0.378 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.040 0.481 -0.969 1.00 0.00 C ATOM 0 H PHE A 97 -4.005 4.176 2.259 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.421 2.075 0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.464 1.803 2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.459 0.486 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.199 1.701 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.423 0.454 2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.523 1.162 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.222 -0.114 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.313 0.233 -1.728 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.244 2.023 2.448 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.290 2.124 3.498 1.00 0.00 C ATOM 1379 C VAL A 98 -8.741 0.704 3.839 1.00 0.00 C ATOM 1380 O VAL A 98 -9.351 0.033 3.030 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.457 2.961 2.973 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.694 2.741 3.848 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.071 4.441 3.005 1.00 0.00 C ATOM 0 H VAL A 98 -7.518 1.537 1.594 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.906 2.611 4.394 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.684 2.659 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.521 3.341 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.971 1.687 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.472 3.038 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.900 5.041 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.842 4.735 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.195 4.602 2.377 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.409 0.213 5.003 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.798 -1.188 5.328 1.00 0.00 C ATOM 1395 C VAL A 99 -9.506 -1.289 6.678 1.00 0.00 C ATOM 1396 O VAL A 99 -8.978 -0.922 7.703 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.543 -2.063 5.332 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.818 -3.357 6.100 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.177 -2.367 3.888 1.00 0.00 C ATOM 0 H VAL A 99 -7.895 0.711 5.730 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.500 -1.532 4.569 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.717 -1.547 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.922 -3.977 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.095 -3.119 7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.634 -3.898 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.284 -2.991 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.001 -2.894 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.984 -1.435 3.358 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.685 -1.840 6.686 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.412 -1.993 7.975 1.00 0.00 C ATOM 1411 C TYR A 100 -10.866 -3.213 8.724 1.00 0.00 C ATOM 1412 O TYR A 100 -10.726 -4.284 8.167 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.907 -2.159 7.715 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.676 -1.430 8.787 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.549 -0.042 8.900 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.512 -2.132 9.662 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.256 0.647 9.886 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.222 -1.442 10.650 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.094 -0.050 10.762 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.796 0.632 11.733 1.00 0.00 O ATOM 0 H TYR A 100 -11.175 -2.189 5.862 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.263 -1.101 8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.164 -1.764 6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.174 -3.216 7.713 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.903 0.497 8.223 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.609 -3.204 9.575 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.156 1.719 9.973 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.869 -1.981 11.326 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.667 0.905 11.376 1.00 0.00 H new ATOM 1430 N SER A 101 -10.541 -3.054 9.980 1.00 0.00 N ATOM 1431 CA SER A 101 -9.987 -4.179 10.762 1.00 0.00 C ATOM 1432 C SER A 101 -10.882 -4.410 12.000 1.00 0.00 C ATOM 1433 O SER A 101 -10.870 -3.637 12.942 1.00 0.00 O ATOM 1434 CB SER A 101 -8.549 -3.795 11.164 1.00 0.00 C ATOM 1435 OG SER A 101 -8.409 -2.386 11.124 1.00 0.00 O ATOM 0 H SER A 101 -10.640 -2.180 10.496 1.00 0.00 H new ATOM 0 HA SER A 101 -9.964 -5.106 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.329 -4.165 12.165 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.834 -4.262 10.487 1.00 0.00 H new ATOM 0 HG SER A 101 -7.547 -2.154 10.719 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.679 -5.461 11.984 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.593 -5.762 13.136 1.00 0.00 C ATOM 1443 C ILE A 102 -11.825 -6.623 14.163 1.00 0.00 C ATOM 1444 O ILE A 102 -11.477 -7.750 13.871 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.796 -6.550 12.603 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.131 -6.053 11.185 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.996 -6.332 13.529 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.588 -6.377 10.836 1.00 0.00 C ATOM 0 H ILE A 102 -11.733 -6.127 11.213 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.933 -4.842 13.612 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.560 -7.614 12.569 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.966 -4.978 11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.464 -6.522 10.461 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.853 -6.891 13.152 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.749 -6.679 14.532 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.242 -5.271 13.562 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.809 -6.019 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.741 -7.455 10.880 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.251 -5.887 11.549 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.560 -6.069 15.327 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.799 -6.770 16.424 1.00 0.00 C ATOM 1462 C PRO A 103 -11.555 -7.973 17.014 1.00 0.00 C ATOM 1463 O PRO A 103 -11.044 -9.073 17.029 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.603 -5.676 17.468 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.688 -4.644 17.217 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.978 -4.683 15.718 1.00 0.00 C ATOM 0 HA PRO A 103 -9.867 -7.200 16.058 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.680 -6.083 18.476 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.613 -5.228 17.380 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.584 -4.874 17.793 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -11.359 -3.651 17.524 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -13.032 -4.505 15.507 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.412 -3.924 15.178 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.742 -7.789 17.530 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.462 -8.958 18.130 1.00 0.00 C ATOM 1476 C TRP A 104 -13.585 -10.103 17.112 1.00 0.00 C ATOM 1477 O TRP A 104 -13.951 -11.209 17.462 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.866 -8.540 18.601 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.727 -8.184 17.428 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.387 -9.067 16.636 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -16.048 -6.862 16.914 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.069 -8.369 15.658 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.890 -7.007 15.786 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.686 -5.564 17.309 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.352 -5.901 15.074 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -16.153 -4.450 16.598 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.982 -4.618 15.482 1.00 0.00 C ATOM 0 H TRP A 104 -13.239 -6.899 17.564 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.883 -9.305 18.986 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.325 -9.353 19.163 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.791 -7.688 19.277 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.380 -10.141 16.752 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.635 -8.807 14.931 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -15.044 -5.423 18.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.991 -6.036 14.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.872 -3.456 16.913 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.335 -3.755 14.937 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.325 -9.854 15.853 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.472 -10.901 14.831 1.00 0.00 C ATOM 1500 C LEU A 105 -12.225 -10.951 13.944 1.00 0.00 C ATOM 1501 O LEU A 105 -12.192 -11.666 12.962 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.647 -10.464 14.007 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.762 -11.506 13.960 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.484 -12.512 12.842 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.878 -12.242 15.299 1.00 0.00 C ATOM 0 H LEU A 105 -13.013 -8.950 15.498 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.605 -11.889 15.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.043 -9.534 14.414 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.313 -10.251 12.992 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.704 -10.993 13.765 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.283 -13.253 12.813 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.438 -11.990 11.886 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.533 -13.010 13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.679 -12.979 15.241 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.937 -12.745 15.520 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.101 -11.526 16.090 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.208 -10.205 14.287 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.960 -10.194 13.484 1.00 0.00 C ATOM 1519 C ASN A 106 -10.286 -10.356 12.002 1.00 0.00 C ATOM 1520 O ASN A 106 -9.782 -11.235 11.329 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.077 -11.326 13.968 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.628 -11.069 13.547 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.334 -10.966 12.372 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -6.706 -10.959 14.462 1.00 0.00 N ATOM 0 H ASN A 106 -11.194 -9.594 15.104 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.439 -9.244 13.606 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.141 -11.411 15.053 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.423 -12.273 13.553 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.738 -10.786 14.192 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.953 -11.045 15.448 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.129 -9.505 11.493 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.507 -9.586 10.058 1.00 0.00 C ATOM 1533 C GLN A 107 -11.056 -8.310 9.343 1.00 0.00 C ATOM 1534 O GLN A 107 -11.667 -7.267 9.464 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.025 -9.730 9.936 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.354 -10.949 9.072 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.768 -10.807 8.507 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -15.739 -11.023 9.206 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -14.929 -10.449 7.262 1.00 0.00 N ATOM 0 H GLN A 107 -11.576 -8.751 12.014 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.024 -10.450 9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.471 -9.840 10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.452 -8.831 9.492 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.633 -11.037 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.278 -11.860 9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.115 -10.267 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.868 -10.351 6.877 1.00 0.00 H new ATOM 1548 N ILE A 108 -9.989 -8.391 8.600 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.492 -7.193 7.872 1.00 0.00 C ATOM 1550 C ILE A 108 -10.086 -7.199 6.458 1.00 0.00 C ATOM 1551 O ILE A 108 -10.325 -8.243 5.884 1.00 0.00 O ATOM 1552 CB ILE A 108 -7.949 -7.246 7.845 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.394 -6.145 8.764 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.410 -7.083 6.414 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.025 -5.658 8.279 1.00 0.00 C ATOM 0 H ILE A 108 -9.438 -9.239 8.465 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.796 -6.269 8.365 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.621 -8.221 8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.091 -5.308 8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.308 -6.526 9.782 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.321 -7.125 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.796 -7.886 5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.731 -6.122 6.012 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.658 -4.880 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.323 -6.492 8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.119 -5.255 7.271 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.335 -6.048 5.895 1.00 0.00 N ATOM 1568 CA LYS A 109 -10.924 -6.015 4.526 1.00 0.00 C ATOM 1569 C LYS A 109 -10.494 -4.742 3.795 1.00 0.00 C ATOM 1570 O LYS A 109 -10.601 -3.643 4.313 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.449 -6.051 4.630 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.052 -6.174 3.229 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.460 -6.763 3.328 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.034 -6.955 1.924 1.00 0.00 C ATOM 1575 NZ LYS A 109 -14.267 -8.017 1.215 1.00 0.00 N ATOM 0 H LYS A 109 -10.158 -5.137 6.319 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.570 -6.881 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.762 -6.893 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.813 -5.146 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.089 -5.195 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.423 -6.810 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.430 -7.717 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.103 -6.100 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.087 -7.231 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.981 -6.020 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.834 -8.387 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.380 -7.618 0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.050 -8.789 1.877 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.025 -4.885 2.583 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.602 -3.698 1.791 1.00 0.00 C ATOM 1591 C LEU A 110 -10.815 -2.815 1.527 1.00 0.00 C ATOM 1592 O LEU A 110 -11.943 -3.243 1.665 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.010 -4.157 0.470 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.583 -2.931 -0.328 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.620 -2.075 0.500 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.876 -3.388 -1.588 1.00 0.00 C ATOM 0 H LEU A 110 -9.917 -5.781 2.107 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.852 -3.133 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.155 -4.810 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.743 -4.736 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.464 -2.340 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.320 -1.201 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.116 -1.752 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.737 -2.662 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.566 -2.518 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.999 -3.977 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.554 -3.998 -2.185 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.605 -1.584 1.151 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.771 -0.698 0.890 1.00 0.00 C ATOM 1610 C LEU A 111 -11.461 0.262 -0.251 1.00 0.00 C ATOM 1611 O LEU A 111 -11.848 0.046 -1.382 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.105 0.099 2.154 1.00 0.00 C ATOM 1613 CG LEU A 111 -12.503 -0.866 3.274 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.526 -0.116 4.607 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -13.894 -1.434 2.984 1.00 0.00 C ATOM 0 H LEU A 111 -9.688 -1.158 1.015 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.625 -1.315 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.244 0.694 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.919 0.796 1.953 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.781 -1.681 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.809 -0.802 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.536 0.291 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.249 0.698 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -14.180 -2.121 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.616 -0.619 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -13.879 -1.967 2.033 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.795 1.333 0.041 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.491 2.326 -1.029 1.00 0.00 C ATOM 1629 C GLU A 112 -8.987 2.615 -1.132 1.00 0.00 C ATOM 1630 O GLU A 112 -8.487 3.550 -0.538 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.230 3.630 -0.722 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.678 3.522 -1.202 1.00 0.00 C ATOM 1633 CD GLU A 112 -13.202 4.915 -1.562 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.304 5.736 -0.666 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -13.490 5.136 -2.726 1.00 0.00 O ATOM 0 H GLU A 112 -10.446 1.570 0.970 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.818 1.907 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.205 3.831 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -10.734 4.466 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.737 2.864 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.298 3.079 -0.423 1.00 0.00 H new ATOM 1642 N SER A 113 -8.273 1.856 -1.923 1.00 0.00 N ATOM 1643 CA SER A 113 -6.816 2.131 -2.107 1.00 0.00 C ATOM 1644 C SER A 113 -6.704 3.261 -3.144 1.00 0.00 C ATOM 1645 O SER A 113 -6.830 3.039 -4.332 1.00 0.00 O ATOM 1646 CB SER A 113 -6.113 0.869 -2.622 1.00 0.00 C ATOM 1647 OG SER A 113 -5.929 0.957 -4.028 1.00 0.00 O ATOM 0 H SER A 113 -8.634 1.060 -2.448 1.00 0.00 H new ATOM 0 HA SER A 113 -6.346 2.419 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.149 0.752 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.706 -0.013 -2.379 1.00 0.00 H new ATOM 0 HG SER A 113 -6.709 1.390 -4.433 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.528 4.480 -2.707 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.469 5.618 -3.678 1.00 0.00 C ATOM 1655 C LYS A 114 -5.052 5.811 -4.225 1.00 0.00 C ATOM 1656 O LYS A 114 -4.304 6.642 -3.754 1.00 0.00 O ATOM 1657 CB LYS A 114 -6.920 6.901 -2.977 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.437 7.044 -3.103 1.00 0.00 C ATOM 1659 CD LYS A 114 -8.774 8.417 -3.691 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.224 8.421 -4.181 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.131 8.068 -3.053 1.00 0.00 N ATOM 0 H LYS A 114 -6.423 4.739 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.129 5.390 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.633 6.874 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.424 7.764 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.835 6.256 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.906 6.930 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.631 9.192 -2.938 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.100 8.647 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.483 9.403 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.345 7.708 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.107 8.329 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.081 7.045 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.839 8.584 -2.198 1.00 0.00 H new ATOM 1675 N CYS A 115 -4.684 5.066 -5.231 1.00 0.00 N ATOM 1676 CA CYS A 115 -3.321 5.225 -5.813 1.00 0.00 C ATOM 1677 C CYS A 115 -3.416 5.999 -7.131 1.00 0.00 C ATOM 1678 O CYS A 115 -4.050 5.566 -8.072 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.709 3.845 -6.076 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.209 2.708 -4.759 1.00 0.00 S ATOM 0 H CYS A 115 -5.266 4.356 -5.674 1.00 0.00 H new ATOM 0 HA CYS A 115 -2.691 5.773 -5.112 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.039 3.467 -7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -1.622 3.918 -6.116 1.00 0.00 H new ATOM 1685 N GLN A 116 -2.792 7.144 -7.203 1.00 0.00 N ATOM 1686 CA GLN A 116 -2.848 7.945 -8.459 1.00 0.00 C ATOM 1687 C GLN A 116 -1.502 8.636 -8.685 1.00 0.00 C ATOM 1688 CB GLN A 116 -3.949 9.001 -8.341 1.00 0.00 C ATOM 1689 CG GLN A 116 -3.969 9.861 -9.607 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.400 10.320 -9.892 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -5.746 11.458 -9.643 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -6.250 9.478 -10.410 1.00 0.00 N ATOM 0 H GLN A 116 -2.247 7.559 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.064 7.286 -9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -4.916 8.519 -8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -3.775 9.627 -7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -3.317 10.726 -9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -3.584 9.291 -10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -5.959 8.523 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -7.206 9.774 -10.607 1.00 0.00 H new TER 1701 GLN A 116