USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.715 K(o=-0.72,f=-2.1) USER MOD Single : A 14 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.92) USER MOD Single : A 17 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.4!) USER MOD Single : A 20 MET CE :methyl 154:sc= -3.65 (180deg=-6.24!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -166:sc= -2.83 (180deg=-3.36!) USER MOD Single : A 50 MET CE :methyl -114:sc= -0.235 (180deg=-3.43!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.95) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.0905 (180deg=-2.33) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 GLN : amide:sc= -0.0531 K(o=-0.053,f=-1.5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= -0.637 (180deg=-0.637) USER MOD Single : A 87 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.63) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 32:sc= 1.08 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.332 -4.748 37.780 1.00 0.00 N ATOM 2 CA GLY A 1 16.926 -4.288 36.465 1.00 0.00 C ATOM 3 C GLY A 1 17.814 -3.178 35.939 1.00 0.00 C ATOM 4 O GLY A 1 18.939 -3.427 35.504 1.00 0.00 O ATOM 0 H1 GLY A 1 16.694 -5.506 38.095 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.306 -5.111 37.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.288 -3.957 38.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.946 -5.126 35.768 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.896 -3.935 36.509 1.00 0.00 H new ATOM 8 N SER A 2 17.309 -1.949 35.977 1.00 0.00 N ATOM 9 CA SER A 2 18.062 -0.797 35.496 1.00 0.00 C ATOM 10 C SER A 2 18.695 -1.091 34.139 1.00 0.00 C ATOM 11 O SER A 2 19.846 -0.732 33.888 1.00 0.00 O ATOM 12 CB SER A 2 19.146 -0.412 36.504 1.00 0.00 C ATOM 13 OG SER A 2 19.427 0.976 36.445 1.00 0.00 O ATOM 0 H SER A 2 16.381 -1.726 36.336 1.00 0.00 H new ATOM 0 HA SER A 2 17.370 0.037 35.382 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.823 -0.678 37.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.054 -0.979 36.301 1.00 0.00 H new ATOM 0 HG SER A 2 20.122 1.197 37.100 1.00 0.00 H new ATOM 19 N SER A 3 17.935 -1.747 33.268 1.00 0.00 N ATOM 20 CA SER A 3 18.422 -2.093 31.938 1.00 0.00 C ATOM 21 C SER A 3 17.273 -2.149 30.936 1.00 0.00 C ATOM 22 O SER A 3 16.106 -2.233 31.317 1.00 0.00 O ATOM 23 CB SER A 3 19.150 -3.438 31.972 1.00 0.00 C ATOM 24 OG SER A 3 18.270 -4.485 32.342 1.00 0.00 O ATOM 0 H SER A 3 16.980 -2.049 33.459 1.00 0.00 H new ATOM 0 HA SER A 3 19.120 -1.318 31.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.578 -3.648 30.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.979 -3.389 32.678 1.00 0.00 H new ATOM 0 HG SER A 3 18.759 -5.334 32.355 1.00 0.00 H new ATOM 30 N GLY A 4 17.612 -2.102 29.651 1.00 0.00 N ATOM 31 CA GLY A 4 16.599 -2.149 28.614 1.00 0.00 C ATOM 32 C GLY A 4 16.544 -0.872 27.799 1.00 0.00 C ATOM 33 O GLY A 4 16.289 0.206 28.337 1.00 0.00 O ATOM 0 H GLY A 4 18.571 -2.032 29.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.800 -2.991 27.951 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.625 -2.328 29.070 1.00 0.00 H new ATOM 37 N SER A 5 16.787 -0.991 26.498 1.00 0.00 N ATOM 38 CA SER A 5 16.769 0.164 25.608 1.00 0.00 C ATOM 39 C SER A 5 15.624 0.061 24.605 1.00 0.00 C ATOM 40 O SER A 5 15.813 -0.384 23.473 1.00 0.00 O ATOM 41 CB SER A 5 18.102 0.283 24.866 1.00 0.00 C ATOM 42 OG SER A 5 19.098 0.855 25.696 1.00 0.00 O ATOM 0 H SER A 5 16.999 -1.876 26.037 1.00 0.00 H new ATOM 0 HA SER A 5 16.617 1.056 26.215 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.425 -0.703 24.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.972 0.895 23.974 1.00 0.00 H new ATOM 0 HG SER A 5 19.941 0.919 25.200 1.00 0.00 H new ATOM 48 N SER A 6 14.435 0.475 25.031 1.00 0.00 N ATOM 49 CA SER A 6 13.256 0.426 24.173 1.00 0.00 C ATOM 50 C SER A 6 13.296 1.540 23.131 1.00 0.00 C ATOM 51 O SER A 6 13.419 2.716 23.468 1.00 0.00 O ATOM 52 CB SER A 6 11.983 0.543 25.013 1.00 0.00 C ATOM 53 OG SER A 6 10.903 -0.140 24.399 1.00 0.00 O ATOM 0 H SER A 6 14.262 0.848 25.965 1.00 0.00 H new ATOM 0 HA SER A 6 13.254 -0.533 23.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.160 0.131 26.007 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.725 1.594 25.144 1.00 0.00 H new ATOM 0 HG SER A 6 10.101 -0.052 24.956 1.00 0.00 H new ATOM 59 N GLY A 7 13.191 1.158 21.862 1.00 0.00 N ATOM 60 CA GLY A 7 13.217 2.135 20.789 1.00 0.00 C ATOM 61 C GLY A 7 11.979 3.010 20.771 1.00 0.00 C ATOM 62 O GLY A 7 11.716 3.746 21.723 1.00 0.00 O ATOM 0 H GLY A 7 13.088 0.190 21.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.101 2.764 20.896 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.307 1.618 19.833 1.00 0.00 H new ATOM 66 N HIS A 8 11.217 2.933 19.685 1.00 0.00 N ATOM 67 CA HIS A 8 10.000 3.725 19.546 1.00 0.00 C ATOM 68 C HIS A 8 8.831 2.852 19.100 1.00 0.00 C ATOM 69 O HIS A 8 9.006 1.911 18.327 1.00 0.00 O ATOM 70 CB HIS A 8 10.216 4.859 18.544 1.00 0.00 C ATOM 71 CG HIS A 8 10.484 4.383 17.149 1.00 0.00 C ATOM 72 ND1 HIS A 8 9.514 3.821 16.347 1.00 0.00 N ATOM 73 CD2 HIS A 8 11.621 4.389 16.414 1.00 0.00 C ATOM 74 CE1 HIS A 8 10.042 3.500 15.179 1.00 0.00 C ATOM 75 NE2 HIS A 8 11.320 3.835 15.194 1.00 0.00 N ATOM 0 H HIS A 8 11.421 2.330 18.888 1.00 0.00 H new ATOM 0 HA HIS A 8 9.761 4.152 20.520 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.334 5.500 18.537 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.053 5.472 18.877 1.00 0.00 H new ATOM 0 HD1 HIS A 8 8.540 3.676 16.614 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.585 4.760 16.729 1.00 0.00 H new ATOM 0 HE1 HIS A 8 9.518 3.042 14.353 1.00 0.00 H new ATOM 84 N GLY A 9 7.639 3.170 19.595 1.00 0.00 N ATOM 85 CA GLY A 9 6.459 2.404 19.238 1.00 0.00 C ATOM 86 C GLY A 9 5.509 3.184 18.351 1.00 0.00 C ATOM 87 O GLY A 9 5.402 2.913 17.154 1.00 0.00 O ATOM 0 H GLY A 9 7.469 3.944 20.237 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.763 1.491 18.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.938 2.101 20.146 1.00 0.00 H new ATOM 91 N ASP A 10 4.815 4.153 18.937 1.00 0.00 N ATOM 92 CA ASP A 10 3.868 4.975 18.193 1.00 0.00 C ATOM 93 C ASP A 10 3.866 6.409 18.713 1.00 0.00 C ATOM 94 O ASP A 10 4.114 6.652 19.893 1.00 0.00 O ATOM 95 CB ASP A 10 2.461 4.382 18.288 1.00 0.00 C ATOM 96 CG ASP A 10 1.622 4.684 17.063 1.00 0.00 C ATOM 97 OD1 ASP A 10 1.992 4.222 15.963 1.00 0.00 O ATOM 98 OD2 ASP A 10 0.595 5.381 17.203 1.00 0.00 O ATOM 0 H ASP A 10 4.891 4.389 19.926 1.00 0.00 H new ATOM 0 HA ASP A 10 4.179 4.988 17.148 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.533 3.302 18.418 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.962 4.777 19.173 1.00 0.00 H new ATOM 103 N GLY A 11 3.586 7.356 17.822 1.00 0.00 N ATOM 104 CA GLY A 11 3.558 8.754 18.210 1.00 0.00 C ATOM 105 C GLY A 11 3.484 9.685 17.016 1.00 0.00 C ATOM 106 O GLY A 11 3.062 9.299 15.926 1.00 0.00 O ATOM 0 H GLY A 11 3.378 7.180 16.839 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.700 8.931 18.859 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.450 8.984 18.792 1.00 0.00 H new ATOM 110 N PRO A 12 3.899 10.945 17.216 1.00 0.00 N ATOM 111 CA PRO A 12 3.885 11.960 16.159 1.00 0.00 C ATOM 112 C PRO A 12 4.925 11.686 15.079 1.00 0.00 C ATOM 113 O PRO A 12 6.120 11.607 15.359 1.00 0.00 O ATOM 114 CB PRO A 12 4.219 13.254 16.906 1.00 0.00 C ATOM 115 CG PRO A 12 4.983 12.812 18.107 1.00 0.00 C ATOM 116 CD PRO A 12 4.414 11.475 18.490 1.00 0.00 C ATOM 0 HA PRO A 12 2.930 11.989 15.634 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.811 13.927 16.286 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.315 13.793 17.188 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.047 12.734 17.886 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.878 13.529 18.922 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.175 10.822 18.918 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.623 11.573 19.233 1.00 0.00 H new ATOM 124 N GLY A 13 4.462 11.541 13.841 1.00 0.00 N ATOM 125 CA GLY A 13 5.366 11.277 12.736 1.00 0.00 C ATOM 126 C GLY A 13 5.139 9.913 12.115 1.00 0.00 C ATOM 127 O GLY A 13 5.839 8.954 12.434 1.00 0.00 O ATOM 0 H GLY A 13 3.477 11.602 13.583 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.238 12.046 11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.395 11.346 13.088 1.00 0.00 H new ATOM 131 N ASN A 14 4.155 9.826 11.225 1.00 0.00 N ATOM 132 CA ASN A 14 3.836 8.569 10.558 1.00 0.00 C ATOM 133 C ASN A 14 4.380 8.555 9.133 1.00 0.00 C ATOM 134 O ASN A 14 4.386 9.579 8.450 1.00 0.00 O ATOM 135 CB ASN A 14 2.322 8.347 10.541 1.00 0.00 C ATOM 136 CG ASN A 14 1.656 8.801 11.825 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.520 9.998 12.078 1.00 0.00 O ATOM 138 ND2 ASN A 14 1.238 7.844 12.645 1.00 0.00 N ATOM 0 H ASN A 14 3.565 10.611 10.949 1.00 0.00 H new ATOM 0 HA ASN A 14 4.309 7.760 11.115 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.888 8.887 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.115 7.289 10.382 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.784 8.089 13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.371 6.864 12.395 1.00 0.00 H new ATOM 145 N ALA A 15 4.835 7.388 8.690 1.00 0.00 N ATOM 146 CA ALA A 15 5.379 7.240 7.346 1.00 0.00 C ATOM 147 C ALA A 15 4.272 6.961 6.334 1.00 0.00 C ATOM 148 O ALA A 15 3.299 6.271 6.638 1.00 0.00 O ATOM 149 CB ALA A 15 6.416 6.128 7.316 1.00 0.00 C ATOM 0 H ALA A 15 4.838 6.531 9.243 1.00 0.00 H new ATOM 0 HA ALA A 15 5.860 8.178 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.814 6.029 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.227 6.368 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.951 5.189 7.617 1.00 0.00 H new ATOM 155 N VAL A 16 4.427 7.504 5.131 1.00 0.00 N ATOM 156 CA VAL A 16 3.441 7.313 4.074 1.00 0.00 C ATOM 157 C VAL A 16 4.116 7.042 2.734 1.00 0.00 C ATOM 158 O VAL A 16 4.966 7.814 2.290 1.00 0.00 O ATOM 159 CB VAL A 16 2.523 8.542 3.934 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.275 9.701 3.299 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.284 8.192 3.124 1.00 0.00 C ATOM 0 H VAL A 16 5.226 8.080 4.864 1.00 0.00 H new ATOM 0 HA VAL A 16 2.839 6.449 4.356 1.00 0.00 H new ATOM 0 HB VAL A 16 2.203 8.850 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.610 10.560 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.128 9.967 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.626 9.408 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.647 9.072 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.582 7.858 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.735 7.395 3.625 1.00 0.00 H new ATOM 171 N GLN A 17 3.733 5.941 2.096 1.00 0.00 N ATOM 172 CA GLN A 17 4.302 5.569 0.806 1.00 0.00 C ATOM 173 C GLN A 17 3.210 5.417 -0.248 1.00 0.00 C ATOM 174 O GLN A 17 2.254 4.665 -0.061 1.00 0.00 O ATOM 175 CB GLN A 17 5.091 4.264 0.931 1.00 0.00 C ATOM 176 CG GLN A 17 6.519 4.460 1.415 1.00 0.00 C ATOM 177 CD GLN A 17 7.406 5.107 0.369 1.00 0.00 C ATOM 178 OE1 GLN A 17 6.982 6.016 -0.345 1.00 0.00 O ATOM 179 NE2 GLN A 17 8.645 4.640 0.273 1.00 0.00 N ATOM 0 H GLN A 17 3.031 5.291 2.451 1.00 0.00 H new ATOM 0 HA GLN A 17 4.976 6.366 0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.571 3.599 1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.110 3.766 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.513 5.078 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.939 3.494 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.954 3.885 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.288 5.036 -0.413 1.00 0.00 H new ATOM 188 N GLU A 18 3.359 6.138 -1.355 1.00 0.00 N ATOM 189 CA GLU A 18 2.384 6.084 -2.438 1.00 0.00 C ATOM 190 C GLU A 18 2.926 5.281 -3.618 1.00 0.00 C ATOM 191 O GLU A 18 4.049 5.505 -4.071 1.00 0.00 O ATOM 192 CB GLU A 18 2.017 7.497 -2.894 1.00 0.00 C ATOM 193 CG GLU A 18 1.059 8.210 -1.954 1.00 0.00 C ATOM 194 CD GLU A 18 0.557 9.524 -2.520 1.00 0.00 C ATOM 195 OE1 GLU A 18 -0.476 9.511 -3.222 1.00 0.00 O ATOM 196 OE2 GLU A 18 1.195 10.565 -2.260 1.00 0.00 O ATOM 0 H GLU A 18 4.145 6.766 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 18 1.489 5.587 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.928 8.088 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.568 7.445 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.209 7.560 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.559 8.395 -1.003 1.00 0.00 H new ATOM 203 N ILE A 19 2.119 4.347 -4.110 1.00 0.00 N ATOM 204 CA ILE A 19 2.517 3.512 -5.236 1.00 0.00 C ATOM 205 C ILE A 19 1.450 3.515 -6.326 1.00 0.00 C ATOM 206 O ILE A 19 0.302 3.888 -6.084 1.00 0.00 O ATOM 207 CB ILE A 19 2.780 2.060 -4.796 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.934 1.714 -3.568 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.259 1.856 -4.501 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.507 2.242 -2.272 1.00 0.00 C ATOM 0 H ILE A 19 1.186 4.150 -3.747 1.00 0.00 H new ATOM 0 HA ILE A 19 3.440 3.936 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 19 2.496 1.392 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.930 2.117 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.836 0.631 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.429 0.825 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.841 2.066 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.567 2.531 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.856 1.960 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.499 1.819 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.579 3.328 -2.322 1.00 0.00 H new ATOM 222 N MET A 20 1.836 3.095 -7.526 1.00 0.00 N ATOM 223 CA MET A 20 0.912 3.046 -8.653 1.00 0.00 C ATOM 224 C MET A 20 0.319 1.649 -8.810 1.00 0.00 C ATOM 225 O MET A 20 1.050 0.668 -8.953 1.00 0.00 O ATOM 226 CB MET A 20 1.623 3.459 -9.942 1.00 0.00 C ATOM 227 CG MET A 20 2.051 4.918 -9.960 1.00 0.00 C ATOM 228 SD MET A 20 0.780 6.006 -10.633 1.00 0.00 S ATOM 229 CE MET A 20 -0.389 6.041 -9.275 1.00 0.00 C ATOM 0 H MET A 20 2.783 2.784 -7.743 1.00 0.00 H new ATOM 0 HA MET A 20 0.100 3.746 -8.455 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.502 2.829 -10.080 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.961 3.273 -10.788 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.294 5.234 -8.946 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.961 5.019 -10.552 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.960 6.969 -9.311 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.069 5.193 -9.358 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.150 5.983 -8.329 1.00 0.00 H new ATOM 239 N ILE A 21 -1.006 1.567 -8.782 1.00 0.00 N ATOM 240 CA ILE A 21 -1.695 0.290 -8.923 1.00 0.00 C ATOM 241 C ILE A 21 -2.578 0.275 -10.166 1.00 0.00 C ATOM 242 O ILE A 21 -3.375 1.184 -10.402 1.00 0.00 O ATOM 243 CB ILE A 21 -2.561 -0.021 -7.688 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.853 0.439 -6.412 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.872 -1.509 -7.620 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.660 -0.414 -6.042 1.00 0.00 C ATOM 0 H ILE A 21 -1.624 2.369 -8.663 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.925 -0.475 -9.019 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.501 0.524 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.526 1.471 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.566 0.430 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.485 -1.713 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.413 -1.809 -8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.941 -2.072 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.207 -0.030 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.984 -1.442 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.072 -0.385 -6.849 1.00 0.00 H new ATOM 258 N PRO A 22 -2.436 -0.781 -10.980 1.00 0.00 N ATOM 259 CA PRO A 22 -3.215 -0.941 -12.212 1.00 0.00 C ATOM 260 C PRO A 22 -4.686 -1.229 -11.935 1.00 0.00 C ATOM 261 O PRO A 22 -5.021 -2.186 -11.238 1.00 0.00 O ATOM 262 CB PRO A 22 -2.555 -2.142 -12.895 1.00 0.00 C ATOM 263 CG PRO A 22 -1.935 -2.916 -11.784 1.00 0.00 C ATOM 264 CD PRO A 22 -1.506 -1.901 -10.760 1.00 0.00 C ATOM 0 HA PRO A 22 -3.212 -0.034 -12.816 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.287 -2.742 -13.435 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.807 -1.823 -13.621 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.646 -3.624 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.083 -3.495 -12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.584 -2.295 -9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.469 -1.597 -10.905 1.00 0.00 H new ATOM 272 N ALA A 23 -5.561 -0.393 -12.485 1.00 0.00 N ATOM 273 CA ALA A 23 -6.997 -0.560 -12.299 1.00 0.00 C ATOM 274 C ALA A 23 -7.408 -2.018 -12.471 1.00 0.00 C ATOM 275 O ALA A 23 -8.446 -2.445 -11.966 1.00 0.00 O ATOM 276 CB ALA A 23 -7.762 0.324 -13.273 1.00 0.00 C ATOM 0 H ALA A 23 -5.300 0.406 -13.063 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.243 -0.258 -11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.833 0.189 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.500 1.368 -13.100 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.502 0.049 -14.295 1.00 0.00 H new ATOM 282 N SER A 24 -6.587 -2.779 -13.188 1.00 0.00 N ATOM 283 CA SER A 24 -6.867 -4.189 -13.430 1.00 0.00 C ATOM 284 C SER A 24 -6.704 -5.003 -12.150 1.00 0.00 C ATOM 285 O SER A 24 -7.602 -5.747 -11.754 1.00 0.00 O ATOM 286 CB SER A 24 -5.940 -4.736 -14.517 1.00 0.00 C ATOM 287 OG SER A 24 -6.532 -5.835 -15.188 1.00 0.00 O ATOM 0 H SER A 24 -5.722 -2.442 -13.611 1.00 0.00 H new ATOM 0 HA SER A 24 -7.900 -4.276 -13.766 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.712 -3.948 -15.235 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.994 -5.045 -14.071 1.00 0.00 H new ATOM 0 HG SER A 24 -5.920 -6.165 -15.879 1.00 0.00 H new ATOM 293 N LYS A 25 -5.550 -4.857 -11.507 1.00 0.00 N ATOM 294 CA LYS A 25 -5.267 -5.577 -10.271 1.00 0.00 C ATOM 295 C LYS A 25 -5.811 -4.820 -9.063 1.00 0.00 C ATOM 296 O LYS A 25 -5.530 -5.173 -7.919 1.00 0.00 O ATOM 297 CB LYS A 25 -3.760 -5.791 -10.115 1.00 0.00 C ATOM 298 CG LYS A 25 -3.104 -6.413 -11.336 1.00 0.00 C ATOM 299 CD LYS A 25 -3.199 -7.929 -11.308 1.00 0.00 C ATOM 300 CE LYS A 25 -2.656 -8.545 -12.588 1.00 0.00 C ATOM 301 NZ LYS A 25 -2.223 -9.955 -12.384 1.00 0.00 N ATOM 0 H LYS A 25 -4.796 -4.247 -11.822 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.762 -6.547 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.285 -4.832 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.580 -6.430 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.582 -6.034 -12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.057 -6.114 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.643 -8.314 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.239 -8.227 -11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.422 -8.509 -13.362 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.813 -7.954 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.859 -10.339 -13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.474 -9.987 -11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.033 -10.525 -12.067 1.00 0.00 H new ATOM 315 N ALA A 26 -6.592 -3.777 -9.328 1.00 0.00 N ATOM 316 CA ALA A 26 -7.178 -2.973 -8.263 1.00 0.00 C ATOM 317 C ALA A 26 -8.365 -3.688 -7.624 1.00 0.00 C ATOM 318 O ALA A 26 -8.885 -3.252 -6.598 1.00 0.00 O ATOM 319 CB ALA A 26 -7.605 -1.615 -8.801 1.00 0.00 C ATOM 0 H ALA A 26 -6.833 -3.470 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.420 -2.825 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.041 -1.025 -7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.737 -1.094 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.344 -1.752 -9.591 1.00 0.00 H new ATOM 325 N GLY A 27 -8.788 -4.788 -8.239 1.00 0.00 N ATOM 326 CA GLY A 27 -9.911 -5.545 -7.717 1.00 0.00 C ATOM 327 C GLY A 27 -9.482 -6.847 -7.071 1.00 0.00 C ATOM 328 O GLY A 27 -10.319 -7.636 -6.631 1.00 0.00 O ATOM 0 H GLY A 27 -8.373 -5.169 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.445 -4.939 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.610 -5.757 -8.526 1.00 0.00 H new ATOM 332 N LEU A 28 -8.174 -7.076 -7.016 1.00 0.00 N ATOM 333 CA LEU A 28 -7.635 -8.293 -6.421 1.00 0.00 C ATOM 334 C LEU A 28 -7.087 -8.020 -5.023 1.00 0.00 C ATOM 335 O LEU A 28 -7.211 -8.851 -4.123 1.00 0.00 O ATOM 336 CB LEU A 28 -6.533 -8.874 -7.309 1.00 0.00 C ATOM 337 CG LEU A 28 -7.000 -9.605 -8.567 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.289 -8.615 -9.684 1.00 0.00 C ATOM 339 CD2 LEU A 28 -5.959 -10.623 -9.010 1.00 0.00 C ATOM 0 H LEU A 28 -7.468 -6.434 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.446 -9.017 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.871 -8.062 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.939 -9.565 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.922 -10.137 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.620 -9.154 -10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.071 -7.925 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.384 -8.055 -9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.309 -11.134 -9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.020 -10.113 -9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.802 -11.352 -8.215 1.00 0.00 H new ATOM 351 N VAL A 29 -6.482 -6.849 -4.849 1.00 0.00 N ATOM 352 CA VAL A 29 -5.918 -6.465 -3.560 1.00 0.00 C ATOM 353 C VAL A 29 -6.957 -5.762 -2.694 1.00 0.00 C ATOM 354 O VAL A 29 -6.874 -5.787 -1.465 1.00 0.00 O ATOM 355 CB VAL A 29 -4.700 -5.538 -3.735 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.101 -4.259 -4.454 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.071 -5.227 -2.386 1.00 0.00 C ATOM 0 H VAL A 29 -6.370 -6.150 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.599 -7.383 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.958 -6.052 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.228 -3.617 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.502 -4.505 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.861 -3.738 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.212 -4.571 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.804 -4.733 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.746 -6.154 -1.914 1.00 0.00 H new ATOM 367 N ILE A 30 -7.935 -5.137 -3.341 1.00 0.00 N ATOM 368 CA ILE A 30 -8.991 -4.429 -2.629 1.00 0.00 C ATOM 369 C ILE A 30 -10.163 -5.355 -2.320 1.00 0.00 C ATOM 370 O ILE A 30 -10.616 -5.442 -1.180 1.00 0.00 O ATOM 371 CB ILE A 30 -9.504 -3.222 -3.437 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.330 -2.365 -3.915 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.465 -2.394 -2.598 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.755 -1.066 -4.562 1.00 0.00 C ATOM 0 H ILE A 30 -8.018 -5.107 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.557 -4.072 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.040 -3.590 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.683 -2.144 -3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.737 -2.939 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.819 -1.545 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.314 -3.010 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.952 -2.033 -1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.872 -0.510 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.378 -1.279 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.322 -0.471 -3.846 1.00 0.00 H new ATOM 386 N GLY A 31 -10.648 -6.048 -3.346 1.00 0.00 N ATOM 387 CA GLY A 31 -11.762 -6.961 -3.164 1.00 0.00 C ATOM 388 C GLY A 31 -13.102 -6.252 -3.187 1.00 0.00 C ATOM 389 O GLY A 31 -13.162 -5.023 -3.236 1.00 0.00 O ATOM 0 H GLY A 31 -10.290 -5.994 -4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.741 -7.717 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.648 -7.484 -2.215 1.00 0.00 H new ATOM 393 N LYS A 32 -14.180 -7.028 -3.151 1.00 0.00 N ATOM 394 CA LYS A 32 -15.526 -6.468 -3.168 1.00 0.00 C ATOM 395 C LYS A 32 -15.784 -5.634 -1.917 1.00 0.00 C ATOM 396 O LYS A 32 -16.167 -6.163 -0.875 1.00 0.00 O ATOM 397 CB LYS A 32 -16.565 -7.588 -3.271 1.00 0.00 C ATOM 398 CG LYS A 32 -17.835 -7.174 -3.994 1.00 0.00 C ATOM 399 CD LYS A 32 -18.805 -6.471 -3.060 1.00 0.00 C ATOM 400 CE LYS A 32 -18.574 -4.967 -3.047 1.00 0.00 C ATOM 401 NZ LYS A 32 -19.388 -4.272 -4.083 1.00 0.00 N ATOM 0 H LYS A 32 -14.148 -8.047 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.612 -5.819 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.121 -8.437 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.822 -7.927 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.583 -6.513 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -18.314 -8.054 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.828 -6.681 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.692 -6.867 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.823 -4.570 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.517 -4.760 -3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.202 -3.250 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.133 -4.633 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.398 -4.448 -3.907 1.00 0.00 H new ATOM 415 N GLY A 33 -15.574 -4.326 -2.030 1.00 0.00 N ATOM 416 CA GLY A 33 -15.790 -3.440 -0.901 1.00 0.00 C ATOM 417 C GLY A 33 -14.637 -3.463 0.083 1.00 0.00 C ATOM 418 O GLY A 33 -14.847 -3.484 1.295 1.00 0.00 O ATOM 0 H GLY A 33 -15.258 -3.864 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.934 -2.422 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.708 -3.728 -0.388 1.00 0.00 H new ATOM 422 N GLY A 34 -13.415 -3.458 -0.440 1.00 0.00 N ATOM 423 CA GLY A 34 -12.242 -3.480 0.415 1.00 0.00 C ATOM 424 C GLY A 34 -12.294 -4.595 1.441 1.00 0.00 C ATOM 425 O GLY A 34 -12.154 -4.350 2.639 1.00 0.00 O ATOM 0 H GLY A 34 -13.216 -3.439 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.350 -3.598 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.152 -2.522 0.928 1.00 0.00 H new ATOM 429 N GLU A 35 -12.495 -5.822 0.971 1.00 0.00 N ATOM 430 CA GLU A 35 -12.567 -6.977 1.857 1.00 0.00 C ATOM 431 C GLU A 35 -11.193 -7.619 2.027 1.00 0.00 C ATOM 432 O GLU A 35 -10.870 -8.150 3.090 1.00 0.00 O ATOM 433 CB GLU A 35 -13.560 -8.006 1.312 1.00 0.00 C ATOM 434 CG GLU A 35 -14.237 -8.831 2.393 1.00 0.00 C ATOM 435 CD GLU A 35 -14.823 -10.124 1.859 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.119 -10.828 1.105 1.00 0.00 O ATOM 437 OE2 GLU A 35 -15.986 -10.431 2.195 1.00 0.00 O ATOM 0 H GLU A 35 -12.611 -6.041 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.911 -6.633 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.323 -7.489 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.038 -8.676 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.514 -9.060 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.029 -8.240 2.853 1.00 0.00 H new ATOM 444 N THR A 36 -10.388 -7.567 0.970 1.00 0.00 N ATOM 445 CA THR A 36 -9.050 -8.144 1.000 1.00 0.00 C ATOM 446 C THR A 36 -8.042 -7.165 1.590 1.00 0.00 C ATOM 447 O THR A 36 -7.352 -7.479 2.560 1.00 0.00 O ATOM 448 CB THR A 36 -8.585 -8.556 -0.409 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.489 -9.519 -0.962 1.00 0.00 O ATOM 450 CG2 THR A 36 -7.180 -9.138 -0.367 1.00 0.00 C ATOM 0 H THR A 36 -10.640 -7.131 0.083 1.00 0.00 H new ATOM 0 HA THR A 36 -9.102 -9.031 1.631 1.00 0.00 H new ATOM 0 HB THR A 36 -8.574 -7.666 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.187 -9.774 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.873 -9.422 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.489 -8.392 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.170 -10.018 0.277 1.00 0.00 H new ATOM 458 N ILE A 37 -7.962 -5.978 0.999 1.00 0.00 N ATOM 459 CA ILE A 37 -7.038 -4.952 1.468 1.00 0.00 C ATOM 460 C ILE A 37 -7.156 -4.755 2.976 1.00 0.00 C ATOM 461 O ILE A 37 -6.171 -4.460 3.653 1.00 0.00 O ATOM 462 CB ILE A 37 -7.288 -3.605 0.765 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.408 -2.514 1.378 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.758 -3.223 0.858 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.733 -1.124 0.877 1.00 0.00 C ATOM 0 H ILE A 37 -8.526 -5.703 0.195 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.033 -5.298 1.226 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.026 -3.708 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.518 -2.536 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.363 -2.735 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.918 -2.269 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.365 -3.991 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.045 -3.135 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.071 -0.401 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.595 -1.085 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.768 -0.883 1.120 1.00 0.00 H new ATOM 477 N LYS A 38 -8.367 -4.922 3.496 1.00 0.00 N ATOM 478 CA LYS A 38 -8.614 -4.766 4.925 1.00 0.00 C ATOM 479 C LYS A 38 -7.747 -5.723 5.735 1.00 0.00 C ATOM 480 O LYS A 38 -7.335 -5.408 6.851 1.00 0.00 O ATOM 481 CB LYS A 38 -10.092 -5.011 5.237 1.00 0.00 C ATOM 482 CG LYS A 38 -10.604 -4.215 6.425 1.00 0.00 C ATOM 483 CD LYS A 38 -11.922 -4.767 6.941 1.00 0.00 C ATOM 484 CE LYS A 38 -13.095 -4.284 6.103 1.00 0.00 C ATOM 485 NZ LYS A 38 -14.384 -4.384 6.842 1.00 0.00 N ATOM 0 H LYS A 38 -9.193 -5.165 2.949 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.354 -3.745 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.686 -4.759 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.242 -6.073 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.863 -4.235 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.734 -3.172 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.890 -5.856 6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.064 -4.462 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.927 -3.249 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.154 -4.873 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.159 -4.045 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.558 -5.375 7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.337 -3.801 7.702 1.00 0.00 H new ATOM 499 N GLN A 39 -7.472 -6.892 5.165 1.00 0.00 N ATOM 500 CA GLN A 39 -6.652 -7.895 5.835 1.00 0.00 C ATOM 501 C GLN A 39 -5.169 -7.572 5.689 1.00 0.00 C ATOM 502 O GLN A 39 -4.339 -8.049 6.464 1.00 0.00 O ATOM 503 CB GLN A 39 -6.942 -9.285 5.267 1.00 0.00 C ATOM 504 CG GLN A 39 -8.240 -9.891 5.774 1.00 0.00 C ATOM 505 CD GLN A 39 -8.254 -11.404 5.679 1.00 0.00 C ATOM 506 OE1 GLN A 39 -8.294 -12.101 6.694 1.00 0.00 O ATOM 507 NE2 GLN A 39 -8.221 -11.921 4.457 1.00 0.00 N ATOM 0 H GLN A 39 -7.805 -7.168 4.241 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.905 -7.884 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.980 -9.223 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.117 -9.951 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.394 -9.594 6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.074 -9.487 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.188 -11.306 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.228 -12.933 4.331 1.00 0.00 H new ATOM 516 N LEU A 40 -4.841 -6.758 4.691 1.00 0.00 N ATOM 517 CA LEU A 40 -3.457 -6.371 4.442 1.00 0.00 C ATOM 518 C LEU A 40 -3.025 -5.256 5.389 1.00 0.00 C ATOM 519 O LEU A 40 -1.835 -4.984 5.539 1.00 0.00 O ATOM 520 CB LEU A 40 -3.286 -5.919 2.991 1.00 0.00 C ATOM 521 CG LEU A 40 -3.427 -7.008 1.927 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.485 -6.393 0.538 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.278 -8.001 2.026 1.00 0.00 C ATOM 0 H LEU A 40 -5.515 -6.353 4.041 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.824 -7.240 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.021 -5.141 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.301 -5.463 2.887 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.360 -7.543 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.585 -7.183 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.342 -5.722 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.570 -5.832 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.394 -8.769 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.333 -7.480 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.283 -8.466 3.012 1.00 0.00 H new ATOM 535 N GLN A 41 -4.001 -4.616 6.026 1.00 0.00 N ATOM 536 CA GLN A 41 -3.721 -3.531 6.959 1.00 0.00 C ATOM 537 C GLN A 41 -3.090 -4.065 8.241 1.00 0.00 C ATOM 538 O GLN A 41 -2.295 -3.381 8.883 1.00 0.00 O ATOM 539 CB GLN A 41 -5.005 -2.769 7.288 1.00 0.00 C ATOM 540 CG GLN A 41 -5.521 -1.921 6.137 1.00 0.00 C ATOM 541 CD GLN A 41 -6.733 -1.094 6.519 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.932 -0.766 7.689 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.552 -0.751 5.531 1.00 0.00 N ATOM 0 H GLN A 41 -4.992 -4.830 5.913 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.015 -2.850 6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.777 -3.482 7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.826 -2.126 8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.727 -1.258 5.795 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.778 -2.570 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.349 -1.044 4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.384 -0.194 5.728 1.00 0.00 H new ATOM 552 N GLU A 42 -3.450 -5.292 8.606 1.00 0.00 N ATOM 553 CA GLU A 42 -2.920 -5.916 9.812 1.00 0.00 C ATOM 554 C GLU A 42 -1.642 -6.692 9.505 1.00 0.00 C ATOM 555 O GLU A 42 -0.693 -6.682 10.291 1.00 0.00 O ATOM 556 CB GLU A 42 -3.961 -6.852 10.429 1.00 0.00 C ATOM 557 CG GLU A 42 -4.255 -8.079 9.583 1.00 0.00 C ATOM 558 CD GLU A 42 -5.264 -9.007 10.231 1.00 0.00 C ATOM 559 OE1 GLU A 42 -5.042 -9.405 11.394 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.275 -9.335 9.577 1.00 0.00 O ATOM 0 H GLU A 42 -4.106 -5.873 8.084 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.684 -5.126 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.612 -7.173 11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.887 -6.299 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.630 -7.763 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.328 -8.624 9.405 1.00 0.00 H new ATOM 567 N ARG A 43 -1.625 -7.364 8.359 1.00 0.00 N ATOM 568 CA ARG A 43 -0.465 -8.146 7.949 1.00 0.00 C ATOM 569 C ARG A 43 0.788 -7.277 7.901 1.00 0.00 C ATOM 570 O ARG A 43 1.876 -7.718 8.269 1.00 0.00 O ATOM 571 CB ARG A 43 -0.710 -8.783 6.580 1.00 0.00 C ATOM 572 CG ARG A 43 -1.562 -10.040 6.636 1.00 0.00 C ATOM 573 CD ARG A 43 -1.982 -10.492 5.246 1.00 0.00 C ATOM 574 NE ARG A 43 -2.418 -11.885 5.231 1.00 0.00 N ATOM 575 CZ ARG A 43 -1.584 -12.916 5.162 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.275 -12.711 5.102 1.00 0.00 N ATOM 577 NH2 ARG A 43 -2.058 -14.156 5.154 1.00 0.00 N ATOM 0 H ARG A 43 -2.401 -7.383 7.698 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.311 -8.934 8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.196 -8.054 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.250 -9.025 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.003 -10.838 7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.448 -9.853 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.791 -9.855 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.147 -10.366 4.556 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.419 -12.077 5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.093 -11.760 5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.364 -13.505 5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.064 -14.318 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.416 -14.947 5.101 1.00 0.00 H new ATOM 591 N ALA A 44 0.626 -6.040 7.444 1.00 0.00 N ATOM 592 CA ALA A 44 1.743 -5.108 7.349 1.00 0.00 C ATOM 593 C ALA A 44 1.700 -4.082 8.477 1.00 0.00 C ATOM 594 O ALA A 44 2.547 -3.193 8.552 1.00 0.00 O ATOM 595 CB ALA A 44 1.735 -4.410 5.997 1.00 0.00 C ATOM 0 H ALA A 44 -0.268 -5.660 7.134 1.00 0.00 H new ATOM 0 HA ALA A 44 2.668 -5.677 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.575 -3.717 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.823 -5.152 5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.802 -3.860 5.877 1.00 0.00 H new ATOM 601 N GLY A 45 0.707 -4.213 9.351 1.00 0.00 N ATOM 602 CA GLY A 45 0.572 -3.289 10.463 1.00 0.00 C ATOM 603 C GLY A 45 0.504 -1.844 10.011 1.00 0.00 C ATOM 604 O GLY A 45 1.044 -0.954 10.669 1.00 0.00 O ATOM 0 H GLY A 45 -0.006 -4.941 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.328 -3.533 11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.416 -3.415 11.141 1.00 0.00 H new ATOM 608 N VAL A 46 -0.160 -1.608 8.884 1.00 0.00 N ATOM 609 CA VAL A 46 -0.296 -0.261 8.344 1.00 0.00 C ATOM 610 C VAL A 46 -1.670 -0.057 7.715 1.00 0.00 C ATOM 611 O VAL A 46 -2.426 -1.010 7.525 1.00 0.00 O ATOM 612 CB VAL A 46 0.788 0.034 7.290 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.171 -0.001 7.922 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.694 -0.956 6.139 1.00 0.00 C ATOM 0 H VAL A 46 -0.612 -2.333 8.327 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.176 0.428 9.180 1.00 0.00 H new ATOM 0 HB VAL A 46 0.622 1.035 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.924 0.210 7.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.230 0.750 8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.352 -0.988 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.467 -0.733 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.834 -1.968 6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.287 -0.877 5.670 1.00 0.00 H new ATOM 624 N LYS A 47 -1.987 1.192 7.391 1.00 0.00 N ATOM 625 CA LYS A 47 -3.269 1.523 6.781 1.00 0.00 C ATOM 626 C LYS A 47 -3.132 1.659 5.268 1.00 0.00 C ATOM 627 O LYS A 47 -2.220 2.322 4.775 1.00 0.00 O ATOM 628 CB LYS A 47 -3.819 2.822 7.374 1.00 0.00 C ATOM 629 CG LYS A 47 -5.337 2.880 7.408 1.00 0.00 C ATOM 630 CD LYS A 47 -5.833 4.279 7.734 1.00 0.00 C ATOM 631 CE LYS A 47 -7.316 4.429 7.428 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.747 5.854 7.458 1.00 0.00 N ATOM 0 H LYS A 47 -1.373 1.992 7.541 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.965 0.711 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.436 2.939 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.444 3.664 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.736 2.567 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.713 2.177 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.654 4.494 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.266 5.011 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.529 4.006 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.896 3.859 8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.763 5.914 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.567 6.251 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.212 6.394 6.748 1.00 0.00 H new ATOM 646 N MET A 48 -4.046 1.029 4.537 1.00 0.00 N ATOM 647 CA MET A 48 -4.028 1.083 3.079 1.00 0.00 C ATOM 648 C MET A 48 -5.233 1.853 2.549 1.00 0.00 C ATOM 649 O MET A 48 -6.379 1.461 2.771 1.00 0.00 O ATOM 650 CB MET A 48 -4.013 -0.331 2.495 1.00 0.00 C ATOM 651 CG MET A 48 -2.638 -0.978 2.504 1.00 0.00 C ATOM 652 SD MET A 48 -2.669 -2.684 1.921 1.00 0.00 S ATOM 653 CE MET A 48 -1.109 -3.288 2.560 1.00 0.00 C ATOM 0 H MET A 48 -4.808 0.476 4.930 1.00 0.00 H new ATOM 0 HA MET A 48 -3.122 1.605 2.770 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.703 -0.956 3.061 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.382 -0.296 1.470 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.963 -0.396 1.877 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.235 -0.951 3.516 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.863 -4.237 2.083 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.324 -2.562 2.349 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.189 -3.433 3.637 1.00 0.00 H new ATOM 663 N VAL A 49 -4.967 2.950 1.847 1.00 0.00 N ATOM 664 CA VAL A 49 -6.031 3.774 1.285 1.00 0.00 C ATOM 665 C VAL A 49 -5.778 4.065 -0.190 1.00 0.00 C ATOM 666 O VAL A 49 -4.823 4.759 -0.541 1.00 0.00 O ATOM 667 CB VAL A 49 -6.169 5.107 2.044 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.251 5.970 1.414 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.466 4.853 3.514 1.00 0.00 C ATOM 0 H VAL A 49 -4.024 3.289 1.654 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.958 3.209 1.388 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.224 5.645 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.334 6.908 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.991 6.179 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.204 5.442 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.560 5.805 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.398 4.295 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.653 4.277 3.955 1.00 0.00 H new ATOM 679 N MET A 50 -6.640 3.532 -1.050 1.00 0.00 N ATOM 680 CA MET A 50 -6.511 3.737 -2.488 1.00 0.00 C ATOM 681 C MET A 50 -6.980 5.133 -2.882 1.00 0.00 C ATOM 682 O MET A 50 -8.151 5.476 -2.712 1.00 0.00 O ATOM 683 CB MET A 50 -7.315 2.681 -3.249 1.00 0.00 C ATOM 684 CG MET A 50 -6.637 1.322 -3.303 1.00 0.00 C ATOM 685 SD MET A 50 -5.490 1.172 -4.686 1.00 0.00 S ATOM 686 CE MET A 50 -5.115 -0.578 -4.627 1.00 0.00 C ATOM 0 H MET A 50 -7.435 2.955 -0.776 1.00 0.00 H new ATOM 0 HA MET A 50 -5.458 3.640 -2.751 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.292 2.572 -2.779 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.488 3.032 -4.266 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.100 1.151 -2.370 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.397 0.544 -3.380 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.066 -0.717 -4.366 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.742 -1.059 -3.876 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.309 -1.025 -5.602 1.00 0.00 H new ATOM 696 N ILE A 51 -6.061 5.935 -3.409 1.00 0.00 N ATOM 697 CA ILE A 51 -6.382 7.294 -3.828 1.00 0.00 C ATOM 698 C ILE A 51 -6.927 7.315 -5.252 1.00 0.00 C ATOM 699 O ILE A 51 -6.290 6.814 -6.178 1.00 0.00 O ATOM 700 CB ILE A 51 -5.150 8.214 -3.748 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.493 8.104 -2.370 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.544 9.654 -4.040 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.282 8.779 -1.270 1.00 0.00 C ATOM 0 H ILE A 51 -5.088 5.667 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.145 7.664 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.428 7.896 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.365 7.051 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.497 8.545 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.662 10.292 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.971 9.719 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.282 9.985 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.758 8.661 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.388 9.840 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.269 8.323 -1.198 1.00 0.00 H new ATOM 715 N GLN A 52 -8.109 7.900 -5.419 1.00 0.00 N ATOM 716 CA GLN A 52 -8.739 7.988 -6.731 1.00 0.00 C ATOM 717 C GLN A 52 -8.548 9.376 -7.335 1.00 0.00 C ATOM 718 O GLN A 52 -8.330 9.515 -8.538 1.00 0.00 O ATOM 719 CB GLN A 52 -10.231 7.666 -6.626 1.00 0.00 C ATOM 720 CG GLN A 52 -10.813 7.062 -7.894 1.00 0.00 C ATOM 721 CD GLN A 52 -12.327 7.001 -7.870 1.00 0.00 C ATOM 722 OE1 GLN A 52 -12.965 7.499 -6.941 1.00 0.00 O ATOM 723 NE2 GLN A 52 -12.912 6.389 -8.892 1.00 0.00 N ATOM 0 H GLN A 52 -8.649 8.320 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.262 7.258 -7.385 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.388 6.974 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.775 8.579 -6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.491 7.650 -8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.415 6.056 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.345 5.991 -9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.929 6.317 -8.929 1.00 0.00 H new ATOM 732 N ASP A 53 -8.630 10.399 -6.491 1.00 0.00 N ATOM 733 CA ASP A 53 -8.465 11.776 -6.942 1.00 0.00 C ATOM 734 C ASP A 53 -6.999 12.081 -7.231 1.00 0.00 C ATOM 735 O ASP A 53 -6.106 11.353 -6.799 1.00 0.00 O ATOM 736 CB ASP A 53 -9.004 12.747 -5.890 1.00 0.00 C ATOM 737 CG ASP A 53 -9.400 14.084 -6.485 1.00 0.00 C ATOM 738 OD1 ASP A 53 -10.486 14.161 -7.099 1.00 0.00 O ATOM 739 OD2 ASP A 53 -8.627 15.052 -6.336 1.00 0.00 O ATOM 0 H ASP A 53 -8.810 10.301 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.032 11.901 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.868 12.301 -5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.246 12.904 -5.123 1.00 0.00 H new ATOM 744 N GLY A 54 -6.759 13.163 -7.966 1.00 0.00 N ATOM 745 CA GLY A 54 -5.399 13.545 -8.301 1.00 0.00 C ATOM 746 C GLY A 54 -5.114 13.428 -9.786 1.00 0.00 C ATOM 747 O GLY A 54 -4.411 12.523 -10.235 1.00 0.00 O ATOM 0 H GLY A 54 -7.481 13.781 -8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.224 14.572 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.701 12.915 -7.749 1.00 0.00 H new ATOM 751 N PRO A 55 -5.669 14.361 -10.574 1.00 0.00 N ATOM 752 CA PRO A 55 -5.485 14.380 -12.028 1.00 0.00 C ATOM 753 C PRO A 55 -4.061 14.750 -12.428 1.00 0.00 C ATOM 754 O PRO A 55 -3.746 14.851 -13.613 1.00 0.00 O ATOM 755 CB PRO A 55 -6.469 15.455 -12.496 1.00 0.00 C ATOM 756 CG PRO A 55 -6.639 16.351 -11.318 1.00 0.00 C ATOM 757 CD PRO A 55 -6.519 15.469 -10.106 1.00 0.00 C ATOM 0 HA PRO A 55 -5.659 13.401 -12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.080 16.001 -13.356 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.419 15.016 -12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.879 17.132 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.608 16.849 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.065 15.997 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.493 15.114 -9.769 1.00 0.00 H new ATOM 765 N GLN A 56 -3.205 14.951 -11.431 1.00 0.00 N ATOM 766 CA GLN A 56 -1.814 15.310 -11.680 1.00 0.00 C ATOM 767 C GLN A 56 -1.136 14.275 -12.571 1.00 0.00 C ATOM 768 O GLN A 56 -0.737 13.208 -12.106 1.00 0.00 O ATOM 769 CB GLN A 56 -1.054 15.440 -10.359 1.00 0.00 C ATOM 770 CG GLN A 56 -1.673 16.442 -9.397 1.00 0.00 C ATOM 771 CD GLN A 56 -1.132 17.845 -9.588 1.00 0.00 C ATOM 772 OE1 GLN A 56 -1.744 18.671 -10.265 1.00 0.00 O ATOM 773 NE2 GLN A 56 0.021 18.122 -8.991 1.00 0.00 N ATOM 0 H GLN A 56 -3.450 14.871 -10.444 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.800 16.271 -12.195 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.012 14.464 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.026 15.737 -10.568 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.754 16.452 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.485 16.120 -8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.494 17.407 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.434 19.050 -9.084 1.00 0.00 H new ATOM 782 N ASN A 57 -1.009 14.597 -13.854 1.00 0.00 N ATOM 783 CA ASN A 57 -0.379 13.694 -14.810 1.00 0.00 C ATOM 784 C ASN A 57 -0.668 12.239 -14.456 1.00 0.00 C ATOM 785 O ASN A 57 0.248 11.428 -14.315 1.00 0.00 O ATOM 786 CB ASN A 57 1.132 13.931 -14.849 1.00 0.00 C ATOM 787 CG ASN A 57 1.833 13.031 -15.847 1.00 0.00 C ATOM 788 OD1 ASN A 57 1.763 13.252 -17.056 1.00 0.00 O ATOM 789 ND2 ASN A 57 2.515 12.008 -15.344 1.00 0.00 N ATOM 0 H ASN A 57 -1.334 15.476 -14.256 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.797 13.900 -15.795 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.327 14.973 -15.104 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.549 13.762 -13.856 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.008 11.368 -15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.546 11.863 -14.335 1.00 0.00 H new ATOM 796 N THR A 58 -1.949 11.913 -14.313 1.00 0.00 N ATOM 797 CA THR A 58 -2.360 10.556 -13.975 1.00 0.00 C ATOM 798 C THR A 58 -3.078 9.892 -15.143 1.00 0.00 C ATOM 799 O THR A 58 -3.933 10.500 -15.786 1.00 0.00 O ATOM 800 CB THR A 58 -3.284 10.540 -12.742 1.00 0.00 C ATOM 801 OG1 THR A 58 -3.750 9.208 -12.497 1.00 0.00 O ATOM 802 CG2 THR A 58 -4.471 11.469 -12.944 1.00 0.00 C ATOM 0 H THR A 58 -2.720 12.571 -14.426 1.00 0.00 H new ATOM 0 HA THR A 58 -1.452 9.998 -13.747 1.00 0.00 H new ATOM 0 HB THR A 58 -2.712 10.889 -11.882 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.335 9.206 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.109 11.441 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.114 12.487 -13.102 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.042 11.146 -13.815 1.00 0.00 H new ATOM 810 N GLY A 59 -2.726 8.638 -15.413 1.00 0.00 N ATOM 811 CA GLY A 59 -3.348 7.911 -16.504 1.00 0.00 C ATOM 812 C GLY A 59 -4.078 6.670 -16.032 1.00 0.00 C ATOM 813 O GLY A 59 -4.724 6.682 -14.985 1.00 0.00 O ATOM 0 H GLY A 59 -2.021 8.113 -14.895 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.049 8.567 -17.020 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.585 7.626 -17.228 1.00 0.00 H new ATOM 817 N ALA A 60 -3.977 5.595 -16.808 1.00 0.00 N ATOM 818 CA ALA A 60 -4.633 4.340 -16.463 1.00 0.00 C ATOM 819 C ALA A 60 -3.964 3.683 -15.260 1.00 0.00 C ATOM 820 O ALA A 60 -3.165 2.758 -15.411 1.00 0.00 O ATOM 821 CB ALA A 60 -4.625 3.395 -17.655 1.00 0.00 C ATOM 0 H ALA A 60 -3.447 5.569 -17.679 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.666 4.561 -16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.118 2.462 -17.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.155 3.856 -18.488 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.596 3.189 -17.949 1.00 0.00 H new ATOM 827 N ASP A 61 -4.294 4.166 -14.068 1.00 0.00 N ATOM 828 CA ASP A 61 -3.725 3.625 -12.839 1.00 0.00 C ATOM 829 C ASP A 61 -4.373 4.262 -11.614 1.00 0.00 C ATOM 830 O ASP A 61 -5.154 5.206 -11.731 1.00 0.00 O ATOM 831 CB ASP A 61 -2.213 3.854 -12.809 1.00 0.00 C ATOM 832 CG ASP A 61 -1.846 5.318 -12.961 1.00 0.00 C ATOM 833 OD1 ASP A 61 -2.392 6.147 -12.205 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.013 5.633 -13.836 1.00 0.00 O ATOM 0 H ASP A 61 -4.953 4.932 -13.926 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.923 2.553 -12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.810 3.477 -11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.746 3.280 -13.609 1.00 0.00 H new ATOM 839 N LYS A 62 -4.045 3.737 -10.438 1.00 0.00 N ATOM 840 CA LYS A 62 -4.595 4.252 -9.190 1.00 0.00 C ATOM 841 C LYS A 62 -3.523 4.308 -8.105 1.00 0.00 C ATOM 842 O LYS A 62 -3.020 3.283 -7.644 1.00 0.00 O ATOM 843 CB LYS A 62 -5.763 3.380 -8.723 1.00 0.00 C ATOM 844 CG LYS A 62 -6.742 3.032 -9.831 1.00 0.00 C ATOM 845 CD LYS A 62 -7.687 4.186 -10.122 1.00 0.00 C ATOM 846 CE LYS A 62 -8.214 4.129 -11.548 1.00 0.00 C ATOM 847 NZ LYS A 62 -8.642 5.469 -12.035 1.00 0.00 N ATOM 0 H LYS A 62 -3.401 2.955 -10.323 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.956 5.264 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.369 2.458 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.297 3.899 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.192 2.774 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.318 2.152 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.523 4.158 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.169 5.131 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.440 3.734 -12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.056 3.439 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.995 5.388 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.399 5.836 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.832 6.121 -12.013 1.00 0.00 H new ATOM 861 N PRO A 63 -3.166 5.531 -7.687 1.00 0.00 N ATOM 862 CA PRO A 63 -2.153 5.749 -6.650 1.00 0.00 C ATOM 863 C PRO A 63 -2.631 5.309 -5.271 1.00 0.00 C ATOM 864 O PRO A 63 -3.552 5.899 -4.705 1.00 0.00 O ATOM 865 CB PRO A 63 -1.932 7.263 -6.683 1.00 0.00 C ATOM 866 CG PRO A 63 -3.204 7.820 -7.223 1.00 0.00 C ATOM 867 CD PRO A 63 -3.725 6.796 -8.193 1.00 0.00 C ATOM 0 HA PRO A 63 -1.249 5.169 -6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.720 7.654 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.085 7.526 -7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.922 8.000 -6.423 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.032 8.775 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.815 6.776 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.395 7.002 -9.211 1.00 0.00 H new ATOM 875 N LEU A 64 -2.000 4.271 -4.734 1.00 0.00 N ATOM 876 CA LEU A 64 -2.361 3.753 -3.419 1.00 0.00 C ATOM 877 C LEU A 64 -1.502 4.387 -2.329 1.00 0.00 C ATOM 878 O LEU A 64 -0.273 4.328 -2.380 1.00 0.00 O ATOM 879 CB LEU A 64 -2.203 2.231 -3.388 1.00 0.00 C ATOM 880 CG LEU A 64 -2.029 1.603 -2.005 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.353 1.585 -1.256 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.464 0.195 -2.126 1.00 0.00 C ATOM 0 H LEU A 64 -1.236 3.771 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.403 4.008 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.078 1.785 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.341 1.963 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.323 2.209 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.209 1.134 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.718 2.605 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.082 1.002 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.347 -0.237 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.146 -0.422 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.494 0.234 -2.622 1.00 0.00 H new ATOM 894 N ARG A 65 -2.157 4.991 -1.344 1.00 0.00 N ATOM 895 CA ARG A 65 -1.454 5.635 -0.241 1.00 0.00 C ATOM 896 C ARG A 65 -1.356 4.700 0.961 1.00 0.00 C ATOM 897 O ARG A 65 -2.371 4.296 1.530 1.00 0.00 O ATOM 898 CB ARG A 65 -2.167 6.927 0.161 1.00 0.00 C ATOM 899 CG ARG A 65 -1.320 7.846 1.027 1.00 0.00 C ATOM 900 CD ARG A 65 -2.040 9.152 1.324 1.00 0.00 C ATOM 901 NE ARG A 65 -1.121 10.194 1.772 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.507 11.421 2.106 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.788 11.756 2.043 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.610 12.315 2.504 1.00 0.00 N ATOM 0 H ARG A 65 -3.174 5.048 -1.287 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.445 5.874 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.465 7.463 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.081 6.675 0.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.076 7.343 1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.377 8.056 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.562 9.490 0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.797 8.983 2.090 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.128 9.968 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.480 11.071 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.082 12.698 2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.376 12.060 2.554 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.907 13.257 2.760 1.00 0.00 H new ATOM 918 N ILE A 66 -0.129 4.361 1.342 1.00 0.00 N ATOM 919 CA ILE A 66 0.101 3.475 2.476 1.00 0.00 C ATOM 920 C ILE A 66 0.699 4.235 3.655 1.00 0.00 C ATOM 921 O ILE A 66 1.874 4.603 3.640 1.00 0.00 O ATOM 922 CB ILE A 66 1.038 2.311 2.101 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.424 1.477 0.975 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.318 1.443 3.318 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.178 0.196 0.693 1.00 0.00 C ATOM 0 H ILE A 66 0.721 4.687 0.882 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.870 3.071 2.762 1.00 0.00 H new ATOM 0 HB ILE A 66 1.983 2.724 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.606 1.233 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.390 2.077 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.981 0.625 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.793 2.045 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.381 1.036 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.687 -0.345 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.202 0.433 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.189 -0.424 1.589 1.00 0.00 H new ATOM 937 N THR A 67 -0.117 4.466 4.679 1.00 0.00 N ATOM 938 CA THR A 67 0.331 5.181 5.867 1.00 0.00 C ATOM 939 C THR A 67 0.568 4.223 7.029 1.00 0.00 C ATOM 940 O THR A 67 -0.036 3.153 7.097 1.00 0.00 O ATOM 941 CB THR A 67 -0.691 6.250 6.298 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.012 5.843 5.925 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.370 7.593 5.661 1.00 0.00 C ATOM 0 H THR A 67 -1.092 4.168 4.709 1.00 0.00 H new ATOM 0 HA THR A 67 1.269 5.670 5.606 1.00 0.00 H new ATOM 0 HB THR A 67 -0.637 6.357 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.656 6.527 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.105 8.332 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.625 7.914 5.970 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.399 7.497 4.576 1.00 0.00 H new ATOM 951 N GLY A 68 1.451 4.614 7.942 1.00 0.00 N ATOM 952 CA GLY A 68 1.751 3.779 9.090 1.00 0.00 C ATOM 953 C GLY A 68 3.124 4.059 9.668 1.00 0.00 C ATOM 954 O GLY A 68 3.395 5.167 10.133 1.00 0.00 O ATOM 0 H GLY A 68 1.964 5.495 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.996 3.940 9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.690 2.730 8.799 1.00 0.00 H new ATOM 958 N ASP A 69 3.992 3.054 9.642 1.00 0.00 N ATOM 959 CA ASP A 69 5.344 3.197 10.169 1.00 0.00 C ATOM 960 C ASP A 69 6.363 3.273 9.036 1.00 0.00 C ATOM 961 O ASP A 69 6.138 2.778 7.931 1.00 0.00 O ATOM 962 CB ASP A 69 5.680 2.028 11.096 1.00 0.00 C ATOM 963 CG ASP A 69 5.345 2.323 12.545 1.00 0.00 C ATOM 964 OD1 ASP A 69 6.007 3.199 13.140 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.421 1.679 13.084 1.00 0.00 O ATOM 0 H ASP A 69 3.783 2.131 9.261 1.00 0.00 H new ATOM 0 HA ASP A 69 5.389 4.126 10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.132 1.143 10.773 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.741 1.795 11.012 1.00 0.00 H new ATOM 970 N PRO A 70 7.512 3.907 9.314 1.00 0.00 N ATOM 971 CA PRO A 70 8.588 4.064 8.331 1.00 0.00 C ATOM 972 C PRO A 70 9.281 2.742 8.015 1.00 0.00 C ATOM 973 O PRO A 70 9.772 2.538 6.905 1.00 0.00 O ATOM 974 CB PRO A 70 9.560 5.026 9.019 1.00 0.00 C ATOM 975 CG PRO A 70 9.312 4.837 10.476 1.00 0.00 C ATOM 976 CD PRO A 70 7.848 4.521 10.610 1.00 0.00 C ATOM 0 HA PRO A 70 8.215 4.426 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.594 4.797 8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.377 6.057 8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.924 4.028 10.874 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.570 5.736 11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.658 3.839 11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.258 5.419 10.794 1.00 0.00 H new ATOM 984 N TYR A 71 9.316 1.849 8.997 1.00 0.00 N ATOM 985 CA TYR A 71 9.950 0.547 8.824 1.00 0.00 C ATOM 986 C TYR A 71 8.931 -0.503 8.392 1.00 0.00 C ATOM 987 O TYR A 71 9.289 -1.545 7.842 1.00 0.00 O ATOM 988 CB TYR A 71 10.629 0.111 10.123 1.00 0.00 C ATOM 989 CG TYR A 71 11.359 -1.209 10.011 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.659 -2.405 9.900 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.747 -1.261 10.015 1.00 0.00 C ATOM 992 CE1 TYR A 71 11.322 -3.613 9.799 1.00 0.00 C ATOM 993 CE2 TYR A 71 13.418 -2.464 9.912 1.00 0.00 C ATOM 994 CZ TYR A 71 12.701 -3.637 9.805 1.00 0.00 C ATOM 995 OH TYR A 71 13.364 -4.839 9.702 1.00 0.00 O ATOM 0 H TYR A 71 8.913 2.002 9.921 1.00 0.00 H new ATOM 0 HA TYR A 71 10.703 0.639 8.041 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.335 0.882 10.431 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.877 0.035 10.909 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.579 -2.390 9.893 1.00 0.00 H new ATOM 0 HD2 TYR A 71 13.312 -0.344 10.100 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.763 -4.534 9.716 1.00 0.00 H new ATOM 0 HE2 TYR A 71 14.498 -2.486 9.915 1.00 0.00 H new ATOM 0 HH TYR A 71 14.331 -4.682 9.720 1.00 0.00 H new ATOM 1005 N LYS A 72 7.657 -0.220 8.644 1.00 0.00 N ATOM 1006 CA LYS A 72 6.583 -1.137 8.281 1.00 0.00 C ATOM 1007 C LYS A 72 6.013 -0.791 6.909 1.00 0.00 C ATOM 1008 O LYS A 72 5.945 -1.642 6.022 1.00 0.00 O ATOM 1009 CB LYS A 72 5.472 -1.094 9.332 1.00 0.00 C ATOM 1010 CG LYS A 72 5.972 -1.279 10.755 1.00 0.00 C ATOM 1011 CD LYS A 72 4.847 -1.682 11.693 1.00 0.00 C ATOM 1012 CE LYS A 72 4.700 -3.194 11.769 1.00 0.00 C ATOM 1013 NZ LYS A 72 4.117 -3.758 10.520 1.00 0.00 N ATOM 0 H LYS A 72 7.343 0.638 9.098 1.00 0.00 H new ATOM 0 HA LYS A 72 6.997 -2.144 8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.952 -0.139 9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.742 -1.872 9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.751 -2.041 10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.425 -0.352 11.106 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.042 -1.284 12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.911 -1.241 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.676 -3.645 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.066 -3.455 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.576 -4.617 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.486 -3.056 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.882 -3.996 9.857 1.00 0.00 H new ATOM 1027 N VAL A 73 5.607 0.463 6.741 1.00 0.00 N ATOM 1028 CA VAL A 73 5.045 0.922 5.476 1.00 0.00 C ATOM 1029 C VAL A 73 5.832 0.369 4.293 1.00 0.00 C ATOM 1030 O VAL A 73 5.253 -0.038 3.287 1.00 0.00 O ATOM 1031 CB VAL A 73 5.029 2.460 5.394 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.836 2.916 3.956 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.942 3.029 6.293 1.00 0.00 C ATOM 0 H VAL A 73 5.657 1.180 7.465 1.00 0.00 H new ATOM 0 HA VAL A 73 4.020 0.553 5.432 1.00 0.00 H new ATOM 0 HB VAL A 73 5.991 2.836 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.827 4.005 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.653 2.538 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.889 2.532 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.945 4.117 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.971 2.647 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.130 2.731 7.325 1.00 0.00 H new ATOM 1043 N GLN A 74 7.155 0.358 4.423 1.00 0.00 N ATOM 1044 CA GLN A 74 8.021 -0.145 3.363 1.00 0.00 C ATOM 1045 C GLN A 74 7.702 -1.602 3.045 1.00 0.00 C ATOM 1046 O GLN A 74 7.737 -2.015 1.886 1.00 0.00 O ATOM 1047 CB GLN A 74 9.490 -0.010 3.769 1.00 0.00 C ATOM 1048 CG GLN A 74 9.845 -0.776 5.034 1.00 0.00 C ATOM 1049 CD GLN A 74 11.335 -1.021 5.169 1.00 0.00 C ATOM 1050 OE1 GLN A 74 12.151 -0.191 4.768 1.00 0.00 O ATOM 1051 NE2 GLN A 74 11.697 -2.165 5.736 1.00 0.00 N ATOM 0 H GLN A 74 7.650 0.691 5.250 1.00 0.00 H new ATOM 0 HA GLN A 74 7.842 0.451 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.118 -0.364 2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.722 1.045 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.492 -0.220 5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.322 -1.732 5.034 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.986 -2.824 6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.686 -2.385 5.854 1.00 0.00 H new ATOM 1060 N GLN A 75 7.391 -2.375 4.080 1.00 0.00 N ATOM 1061 CA GLN A 75 7.067 -3.786 3.910 1.00 0.00 C ATOM 1062 C GLN A 75 5.758 -3.955 3.145 1.00 0.00 C ATOM 1063 O GLN A 75 5.709 -4.638 2.122 1.00 0.00 O ATOM 1064 CB GLN A 75 6.969 -4.477 5.271 1.00 0.00 C ATOM 1065 CG GLN A 75 8.252 -4.404 6.084 1.00 0.00 C ATOM 1066 CD GLN A 75 9.230 -5.507 5.731 1.00 0.00 C ATOM 1067 OE1 GLN A 75 8.971 -6.322 4.845 1.00 0.00 O ATOM 1068 NE2 GLN A 75 10.363 -5.538 6.423 1.00 0.00 N ATOM 0 H GLN A 75 7.357 -2.048 5.045 1.00 0.00 H new ATOM 0 HA GLN A 75 7.867 -4.249 3.333 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.160 -4.022 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.703 -5.523 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.727 -3.437 5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.009 -4.465 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.537 -4.843 7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.060 -6.257 6.229 1.00 0.00 H new ATOM 1077 N ALA A 76 4.699 -3.329 3.649 1.00 0.00 N ATOM 1078 CA ALA A 76 3.390 -3.409 3.012 1.00 0.00 C ATOM 1079 C ALA A 76 3.475 -3.042 1.535 1.00 0.00 C ATOM 1080 O ALA A 76 2.997 -3.780 0.672 1.00 0.00 O ATOM 1081 CB ALA A 76 2.400 -2.503 3.727 1.00 0.00 C ATOM 0 H ALA A 76 4.722 -2.761 4.496 1.00 0.00 H new ATOM 0 HA ALA A 76 3.040 -4.439 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.427 -2.572 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.309 -2.813 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.754 -1.473 3.685 1.00 0.00 H new ATOM 1087 N LYS A 77 4.086 -1.897 1.248 1.00 0.00 N ATOM 1088 CA LYS A 77 4.234 -1.431 -0.125 1.00 0.00 C ATOM 1089 C LYS A 77 4.646 -2.575 -1.046 1.00 0.00 C ATOM 1090 O LYS A 77 4.394 -2.536 -2.250 1.00 0.00 O ATOM 1091 CB LYS A 77 5.270 -0.307 -0.195 1.00 0.00 C ATOM 1092 CG LYS A 77 5.920 -0.163 -1.561 1.00 0.00 C ATOM 1093 CD LYS A 77 6.899 0.998 -1.592 1.00 0.00 C ATOM 1094 CE LYS A 77 7.875 0.874 -2.753 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.324 2.205 -3.245 1.00 0.00 N ATOM 0 H LYS A 77 4.487 -1.274 1.949 1.00 0.00 H new ATOM 0 HA LYS A 77 3.269 -1.049 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.790 0.635 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.045 -0.491 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.440 -1.086 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.150 -0.011 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.350 1.936 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.452 1.034 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.741 0.292 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.402 0.326 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.987 2.077 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.500 2.751 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.798 2.718 -2.475 1.00 0.00 H new ATOM 1109 N GLU A 78 5.280 -3.593 -0.471 1.00 0.00 N ATOM 1110 CA GLU A 78 5.726 -4.747 -1.242 1.00 0.00 C ATOM 1111 C GLU A 78 4.605 -5.773 -1.384 1.00 0.00 C ATOM 1112 O GLU A 78 4.417 -6.359 -2.449 1.00 0.00 O ATOM 1113 CB GLU A 78 6.943 -5.394 -0.577 1.00 0.00 C ATOM 1114 CG GLU A 78 8.146 -4.472 -0.482 1.00 0.00 C ATOM 1115 CD GLU A 78 8.904 -4.365 -1.791 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.899 -5.349 -2.560 1.00 0.00 O ATOM 1117 OE2 GLU A 78 9.502 -3.299 -2.046 1.00 0.00 O ATOM 0 H GLU A 78 5.496 -3.641 0.525 1.00 0.00 H new ATOM 0 HA GLU A 78 6.006 -4.400 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.667 -5.722 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.222 -6.285 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.815 -3.480 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.819 -4.837 0.294 1.00 0.00 H new ATOM 1124 N MET A 79 3.864 -5.984 -0.301 1.00 0.00 N ATOM 1125 CA MET A 79 2.762 -6.939 -0.304 1.00 0.00 C ATOM 1126 C MET A 79 1.700 -6.540 -1.324 1.00 0.00 C ATOM 1127 O MET A 79 1.087 -7.394 -1.963 1.00 0.00 O ATOM 1128 CB MET A 79 2.137 -7.033 1.089 1.00 0.00 C ATOM 1129 CG MET A 79 2.925 -7.907 2.051 1.00 0.00 C ATOM 1130 SD MET A 79 2.623 -7.486 3.778 1.00 0.00 S ATOM 1131 CE MET A 79 0.839 -7.337 3.784 1.00 0.00 C ATOM 0 H MET A 79 4.007 -5.507 0.589 1.00 0.00 H new ATOM 0 HA MET A 79 3.160 -7.915 -0.583 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.052 -6.031 1.508 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.125 -7.428 0.998 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.663 -8.952 1.885 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.989 -7.808 1.838 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.499 -7.079 4.787 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.537 -6.556 3.086 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.394 -8.285 3.483 1.00 0.00 H new ATOM 1141 N VAL A 80 1.488 -5.236 -1.472 1.00 0.00 N ATOM 1142 CA VAL A 80 0.502 -4.723 -2.415 1.00 0.00 C ATOM 1143 C VAL A 80 1.036 -4.759 -3.843 1.00 0.00 C ATOM 1144 O VAL A 80 0.324 -5.137 -4.774 1.00 0.00 O ATOM 1145 CB VAL A 80 0.090 -3.280 -2.069 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.091 -2.842 -2.922 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.238 -3.161 -0.588 1.00 0.00 C ATOM 0 H VAL A 80 1.987 -4.515 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.372 -5.370 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 80 0.929 -2.619 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.368 -1.820 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.816 -2.888 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.937 -3.504 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.527 -2.135 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.061 -3.833 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.638 -3.430 0.002 1.00 0.00 H new ATOM 1157 N LEU A 81 2.293 -4.364 -4.008 1.00 0.00 N ATOM 1158 CA LEU A 81 2.925 -4.350 -5.323 1.00 0.00 C ATOM 1159 C LEU A 81 2.967 -5.753 -5.921 1.00 0.00 C ATOM 1160 O LEU A 81 2.610 -5.954 -7.081 1.00 0.00 O ATOM 1161 CB LEU A 81 4.342 -3.783 -5.224 1.00 0.00 C ATOM 1162 CG LEU A 81 4.448 -2.265 -5.072 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.854 -1.868 -4.648 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.065 -1.571 -6.371 1.00 0.00 C ATOM 0 H LEU A 81 2.895 -4.049 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 81 2.331 -3.713 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.840 -4.249 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.893 -4.078 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 81 3.753 -1.947 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.911 -0.784 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.092 -2.336 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.568 -2.198 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.146 -0.491 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.735 -1.894 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.039 -1.829 -6.633 1.00 0.00 H new ATOM 1176 N GLU A 82 3.402 -6.720 -5.119 1.00 0.00 N ATOM 1177 CA GLU A 82 3.489 -8.104 -5.570 1.00 0.00 C ATOM 1178 C GLU A 82 2.099 -8.682 -5.823 1.00 0.00 C ATOM 1179 O GLU A 82 1.944 -9.652 -6.566 1.00 0.00 O ATOM 1180 CB GLU A 82 4.226 -8.955 -4.534 1.00 0.00 C ATOM 1181 CG GLU A 82 4.648 -10.319 -5.057 1.00 0.00 C ATOM 1182 CD GLU A 82 4.979 -11.293 -3.943 1.00 0.00 C ATOM 1183 OE1 GLU A 82 4.158 -11.430 -3.012 1.00 0.00 O ATOM 1184 OE2 GLU A 82 6.058 -11.918 -4.002 1.00 0.00 O ATOM 0 H GLU A 82 3.699 -6.571 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 82 4.046 -8.120 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.110 -8.415 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.583 -9.091 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.847 -10.733 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.518 -10.203 -5.704 1.00 0.00 H new ATOM 1191 N LEU A 83 1.092 -8.079 -5.200 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.285 -8.533 -5.357 1.00 0.00 C ATOM 1193 C LEU A 83 -0.806 -8.221 -6.756 1.00 0.00 C ATOM 1194 O LEU A 83 -1.682 -8.915 -7.272 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.182 -7.874 -4.307 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.453 -8.639 -3.935 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.288 -8.923 -5.174 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.104 -9.934 -3.216 1.00 0.00 C ATOM 0 H LEU A 83 1.203 -7.275 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.304 -9.614 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.595 -7.721 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.469 -6.887 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.043 -8.019 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.188 -9.468 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.568 -7.982 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.707 -9.523 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.020 -10.466 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.493 -10.559 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.549 -9.707 -2.306 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.260 -7.173 -7.365 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.667 -6.772 -8.705 1.00 0.00 C ATOM 1212 C ILE A 84 0.272 -7.346 -9.760 1.00 0.00 C ATOM 1213 O ILE A 84 -0.096 -7.477 -10.928 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.703 -5.238 -8.847 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.686 -4.648 -8.595 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.720 -4.641 -7.886 1.00 0.00 C ATOM 1217 CD1 ILE A 84 0.938 -3.356 -9.341 1.00 0.00 C ATOM 0 H ILE A 84 0.465 -6.587 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.671 -7.168 -8.861 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.004 -4.989 -9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.808 -4.471 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.441 -5.379 -8.885 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.734 -3.557 -7.998 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.709 -5.041 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.447 -4.896 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.941 -2.995 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.848 -3.531 -10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.206 -2.609 -9.033 1.00 0.00 H new ATOM 1229 N ARG A 85 1.485 -7.690 -9.341 1.00 0.00 N ATOM 1230 CA ARG A 85 2.477 -8.253 -10.249 1.00 0.00 C ATOM 1231 C ARG A 85 2.111 -9.683 -10.636 1.00 0.00 C ATOM 1232 O ARG A 85 1.650 -10.463 -9.803 1.00 0.00 O ATOM 1233 CB ARG A 85 3.864 -8.226 -9.604 1.00 0.00 C ATOM 1234 CG ARG A 85 4.485 -6.840 -9.551 1.00 0.00 C ATOM 1235 CD ARG A 85 5.940 -6.898 -9.113 1.00 0.00 C ATOM 1236 NE ARG A 85 6.754 -7.699 -10.023 1.00 0.00 N ATOM 1237 CZ ARG A 85 6.898 -9.015 -9.915 1.00 0.00 C ATOM 1238 NH1 ARG A 85 6.286 -9.674 -8.942 1.00 0.00 N ATOM 1239 NH2 ARG A 85 7.656 -9.673 -10.783 1.00 0.00 N ATOM 0 H ARG A 85 1.805 -7.589 -8.378 1.00 0.00 H new ATOM 0 HA ARG A 85 2.493 -7.644 -11.153 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.792 -8.621 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.526 -8.890 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.418 -6.372 -10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.921 -6.213 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.343 -5.887 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.000 -7.317 -8.109 1.00 0.00 H new ATOM 0 HE ARG A 85 7.239 -7.222 -10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.703 -9.171 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.398 -10.685 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.128 -9.168 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.767 -10.684 -10.700 1.00 0.00 H new ATOM 1253 N ASP A 86 2.320 -10.018 -11.904 1.00 0.00 N ATOM 1254 CA ASP A 86 2.013 -11.354 -12.402 1.00 0.00 C ATOM 1255 C ASP A 86 2.356 -12.414 -11.360 1.00 0.00 C ATOM 1256 O ASP A 86 3.501 -12.517 -10.921 1.00 0.00 O ATOM 1257 CB ASP A 86 2.778 -11.628 -13.698 1.00 0.00 C ATOM 1258 CG ASP A 86 2.140 -12.724 -14.527 1.00 0.00 C ATOM 1259 OD1 ASP A 86 0.896 -12.831 -14.511 1.00 0.00 O ATOM 1260 OD2 ASP A 86 2.884 -13.475 -15.193 1.00 0.00 O ATOM 0 H ASP A 86 2.701 -9.383 -12.606 1.00 0.00 H new ATOM 0 HA ASP A 86 0.943 -11.402 -12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.827 -10.713 -14.288 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.804 -11.908 -13.458 1.00 0.00 H new ATOM 1265 N GLN A 87 1.356 -13.199 -10.970 1.00 0.00 N ATOM 1266 CA GLN A 87 1.553 -14.249 -9.978 1.00 0.00 C ATOM 1267 C GLN A 87 2.574 -15.272 -10.465 1.00 0.00 C ATOM 1268 O GLN A 87 3.467 -15.675 -9.720 1.00 0.00 O ATOM 1269 CB GLN A 87 0.225 -14.944 -9.670 1.00 0.00 C ATOM 1270 CG GLN A 87 0.253 -15.771 -8.395 1.00 0.00 C ATOM 1271 CD GLN A 87 0.732 -14.979 -7.195 1.00 0.00 C ATOM 1272 OE1 GLN A 87 0.405 -13.801 -7.043 1.00 0.00 O ATOM 1273 NE2 GLN A 87 1.513 -15.621 -6.334 1.00 0.00 N ATOM 0 H GLN A 87 0.403 -13.127 -11.326 1.00 0.00 H new ATOM 0 HA GLN A 87 1.934 -13.787 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.559 -14.191 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.040 -15.590 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.747 -16.157 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.904 -16.633 -8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.759 -16.597 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 87 1.867 -15.138 -5.508 1.00 0.00 H new ATOM 1282 N GLY A 88 2.435 -15.690 -11.719 1.00 0.00 N ATOM 1283 CA GLY A 88 3.353 -16.663 -12.283 1.00 0.00 C ATOM 1284 C GLY A 88 4.802 -16.339 -11.977 1.00 0.00 C ATOM 1285 O GLY A 88 5.524 -17.163 -11.417 1.00 0.00 O ATOM 0 H GLY A 88 1.703 -15.373 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.115 -17.652 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.214 -16.706 -13.363 1.00 0.00 H new ATOM 1289 N SER A 89 5.228 -15.135 -12.348 1.00 0.00 N ATOM 1290 CA SER A 89 6.602 -14.706 -12.115 1.00 0.00 C ATOM 1291 C SER A 89 7.024 -14.992 -10.677 1.00 0.00 C ATOM 1292 O SER A 89 6.596 -14.312 -9.746 1.00 0.00 O ATOM 1293 CB SER A 89 6.750 -13.213 -12.415 1.00 0.00 C ATOM 1294 OG SER A 89 6.956 -12.989 -13.799 1.00 0.00 O ATOM 0 H SER A 89 4.642 -14.440 -12.811 1.00 0.00 H new ATOM 0 HA SER A 89 7.251 -15.270 -12.785 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.856 -12.683 -12.087 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.588 -12.806 -11.849 1.00 0.00 H new ATOM 0 HG SER A 89 7.046 -12.027 -13.965 1.00 0.00 H new ATOM 1300 N GLY A 90 7.868 -16.005 -10.505 1.00 0.00 N ATOM 1301 CA GLY A 90 8.335 -16.365 -9.178 1.00 0.00 C ATOM 1302 C GLY A 90 9.812 -16.084 -8.988 1.00 0.00 C ATOM 1303 O GLY A 90 10.408 -15.272 -9.696 1.00 0.00 O ATOM 0 H GLY A 90 8.237 -16.583 -11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.764 -15.811 -8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 90 8.144 -17.424 -9.004 1.00 0.00 H new ATOM 1307 N PRO A 91 10.426 -16.765 -8.009 1.00 0.00 N ATOM 1308 CA PRO A 91 11.850 -16.600 -7.703 1.00 0.00 C ATOM 1309 C PRO A 91 12.747 -17.170 -8.797 1.00 0.00 C ATOM 1310 O PRO A 91 12.713 -18.368 -9.080 1.00 0.00 O ATOM 1311 CB PRO A 91 12.027 -17.387 -6.402 1.00 0.00 C ATOM 1312 CG PRO A 91 10.935 -18.400 -6.421 1.00 0.00 C ATOM 1313 CD PRO A 91 9.778 -17.748 -7.125 1.00 0.00 C ATOM 0 HA PRO A 91 12.131 -15.550 -7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 91 13.007 -17.862 -6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.948 -16.736 -5.531 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.250 -19.304 -6.943 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.659 -18.696 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.192 -18.472 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.098 -17.268 -6.421 1.00 0.00 H new ATOM 1321 N SER A 92 13.551 -16.305 -9.408 1.00 0.00 N ATOM 1322 CA SER A 92 14.455 -16.723 -10.473 1.00 0.00 C ATOM 1323 C SER A 92 15.473 -17.735 -9.956 1.00 0.00 C ATOM 1324 O SER A 92 16.413 -17.378 -9.245 1.00 0.00 O ATOM 1325 CB SER A 92 15.178 -15.510 -11.062 1.00 0.00 C ATOM 1326 OG SER A 92 16.019 -14.900 -10.098 1.00 0.00 O ATOM 0 H SER A 92 13.595 -15.311 -9.184 1.00 0.00 H new ATOM 0 HA SER A 92 13.862 -17.198 -11.254 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.771 -15.819 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.447 -14.786 -11.421 1.00 0.00 H new ATOM 0 HG SER A 92 16.364 -15.583 -9.486 1.00 0.00 H new ATOM 1332 N SER A 93 15.279 -18.999 -10.318 1.00 0.00 N ATOM 1333 CA SER A 93 16.177 -20.064 -9.888 1.00 0.00 C ATOM 1334 C SER A 93 16.100 -21.255 -10.837 1.00 0.00 C ATOM 1335 O SER A 93 15.111 -21.436 -11.547 1.00 0.00 O ATOM 1336 CB SER A 93 15.831 -20.508 -8.465 1.00 0.00 C ATOM 1337 OG SER A 93 14.642 -21.278 -8.446 1.00 0.00 O ATOM 0 H SER A 93 14.508 -19.311 -10.908 1.00 0.00 H new ATOM 0 HA SER A 93 17.195 -19.675 -9.902 1.00 0.00 H new ATOM 0 HB2 SER A 93 16.653 -21.093 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.711 -19.633 -7.827 1.00 0.00 H new ATOM 0 HG SER A 93 14.444 -21.551 -7.526 1.00 0.00 H new ATOM 1343 N GLY A 94 17.153 -22.067 -10.844 1.00 0.00 N ATOM 1344 CA GLY A 94 17.186 -23.232 -11.710 1.00 0.00 C ATOM 1345 C GLY A 94 18.090 -23.036 -12.911 1.00 0.00 C ATOM 1346 O GLY A 94 18.566 -21.929 -13.164 1.00 0.00 O ATOM 0 H GLY A 94 17.984 -21.939 -10.266 1.00 0.00 H new ATOM 0 HA2 GLY A 94 17.527 -24.096 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 94 16.176 -23.455 -12.052 1.00 0.00 H new TER 1350 GLY A 94