USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 895 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 4 ASN : amide:sc= 0.388 K(o=-0.54,f=-5.6!) USER MOD Set 1.2: A 119 GLN : amide:sc= -0.927 K(o=-0.54,f=-1.7) USER MOD Set 2.1: A 104 THR OG1 : rot 180:sc= 0.0378 USER MOD Set 2.2: A 105 ASN : amide:sc= -0.769 K(o=-0.73,f=-2.3) USER MOD Set 3.1: A 71 ASN : amide:sc= -1.4 K(o=-0.35,f=-4.4!) USER MOD Set 3.2: A 74 THR OG1 : rot -155:sc= 1.05 USER MOD Set 4.1: A 13 TYR OH : rot 148:sc= -0.0459 USER MOD Set 4.2: A 88 ASN : amide:sc= 1.85 K(o=1.8,f=-7.4!) USER MOD Set 5.1: A 9 THR OG1 : rot 180:sc= -0.314 USER MOD Set 5.2: A 113 HIS : no HD1:sc= 0.299 K(o=-0.016,f=-2.4!) USER MOD Single : A 1 GLU N :NH3+ -145:sc= 0.934 (180deg=-0.699!) USER MOD Single : A 2 GLN : amide:sc= -1.6 K(o=-1.6,f=-13!) USER MOD Single : A 10 TYR OH : rot 63:sc= 1.19 USER MOD Single : A 11 HIS : no HD1:sc= -0.372 X(o=-0.37,f=-0.033) USER MOD Single : A 12 TYR OH : rot 114:sc= 1.23 USER MOD Single : A 17 GLN : amide:sc= -1.23 K(o=-1.2,f=-6.2!) USER MOD Single : A 18 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.57) USER MOD Single : A 19 ASN : amide:sc= -4.62! K(o=-4.6!,f=-2.9) USER MOD Single : A 28 SER OG : rot 62:sc= 1.1 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -105:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= 0.691 (180deg=-0.0497) USER MOD Single : A 46 TYR OH : rot 140:sc= 1.03 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.107) USER MOD Single : A 70 THR OG1 : rot -130:sc= -1.69! USER MOD Single : A 77 GLN : amide:sc= 1.06 K(o=1.1,f=-5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.12! X(o=-2.1!,f=-2) USER MOD Single : A 97 THR OG1 : rot -177:sc= -1.97 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.17) USER MOD Single : A 117 ASN : amide:sc= -1.64 K(o=-1.6,f=-13!) USER MOD Single : A 118 TYR OH : rot -138:sc= -0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.669 16.707 0.023 1.00 0.00 N ATOM 2 CA GLU A 1 3.154 15.851 -1.097 1.00 0.00 C ATOM 3 C GLU A 1 4.056 14.745 -1.691 1.00 0.00 C ATOM 4 O GLU A 1 3.593 13.634 -1.858 1.00 0.00 O ATOM 5 CB GLU A 1 2.688 16.825 -2.236 1.00 0.00 C ATOM 6 CG GLU A 1 1.766 17.918 -1.576 1.00 0.00 C ATOM 7 CD GLU A 1 0.851 17.245 -0.540 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.098 16.633 -0.980 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.199 17.370 0.623 1.00 0.00 O ATOM 0 H1 GLU A 1 2.889 16.938 0.670 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.408 16.192 0.542 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.068 17.585 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 1 2.364 15.254 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.548 17.289 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.145 16.280 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.375 18.685 -1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.168 18.416 -2.339 1.00 0.00 H new ATOM 18 N GLN A 2 5.301 15.032 -1.985 1.00 0.00 N ATOM 19 CA GLN A 2 6.200 13.968 -2.583 1.00 0.00 C ATOM 20 C GLN A 2 7.224 13.322 -1.618 1.00 0.00 C ATOM 21 O GLN A 2 7.695 13.964 -0.699 1.00 0.00 O ATOM 22 CB GLN A 2 6.970 14.631 -3.761 1.00 0.00 C ATOM 23 CG GLN A 2 6.033 15.486 -4.675 1.00 0.00 C ATOM 24 CD GLN A 2 4.999 14.636 -5.395 1.00 0.00 C ATOM 25 OE1 GLN A 2 4.350 13.777 -4.849 1.00 0.00 O ATOM 26 NE2 GLN A 2 4.764 14.814 -6.647 1.00 0.00 N ATOM 0 H GLN A 2 5.739 15.942 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 2 5.549 13.147 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.763 15.265 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.450 13.857 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.525 16.237 -4.070 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.635 16.022 -5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.279 15.525 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.063 14.244 -7.120 1.00 0.00 H new ATOM 35 N ALA A 3 7.536 12.067 -1.859 1.00 0.00 N ATOM 36 CA ALA A 3 8.525 11.322 -1.008 1.00 0.00 C ATOM 37 C ALA A 3 9.473 10.444 -1.879 1.00 0.00 C ATOM 38 O ALA A 3 9.053 9.855 -2.858 1.00 0.00 O ATOM 39 CB ALA A 3 7.731 10.466 -0.035 1.00 0.00 C ATOM 0 H ALA A 3 7.140 11.519 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 3 9.161 12.023 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.417 9.908 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.101 11.106 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.104 9.769 -0.591 1.00 0.00 H new ATOM 45 N ASN A 4 10.714 10.372 -1.487 1.00 0.00 N ATOM 46 CA ASN A 4 11.724 9.563 -2.236 1.00 0.00 C ATOM 47 C ASN A 4 12.452 8.604 -1.258 1.00 0.00 C ATOM 48 O ASN A 4 12.320 8.748 -0.061 1.00 0.00 O ATOM 49 CB ASN A 4 12.633 10.619 -2.927 1.00 0.00 C ATOM 50 CG ASN A 4 11.741 11.494 -3.832 1.00 0.00 C ATOM 51 OD1 ASN A 4 11.018 11.062 -4.704 1.00 0.00 O ATOM 52 ND2 ASN A 4 11.729 12.771 -3.678 1.00 0.00 N ATOM 0 H ASN A 4 11.081 10.848 -0.663 1.00 0.00 H new ATOM 0 HA ASN A 4 11.307 8.899 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.139 11.233 -2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.408 10.128 -3.515 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.135 13.351 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.313 13.204 -2.963 1.00 0.00 H new ATOM 59 N ASP A 5 13.181 7.666 -1.790 1.00 0.00 N ATOM 60 CA ASP A 5 13.947 6.640 -1.025 1.00 0.00 C ATOM 61 C ASP A 5 13.279 6.281 0.338 1.00 0.00 C ATOM 62 O ASP A 5 13.784 6.528 1.417 1.00 0.00 O ATOM 63 CB ASP A 5 15.367 7.250 -0.945 1.00 0.00 C ATOM 64 CG ASP A 5 15.860 7.515 -2.377 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.161 6.531 -3.041 1.00 0.00 O ATOM 66 OD2 ASP A 5 15.893 8.685 -2.713 1.00 0.00 O ATOM 0 H ASP A 5 13.283 7.564 -2.800 1.00 0.00 H new ATOM 0 HA ASP A 5 13.975 5.659 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.350 8.177 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.044 6.569 -0.430 1.00 0.00 H new ATOM 71 N VAL A 6 12.119 5.697 0.197 1.00 0.00 N ATOM 72 CA VAL A 6 11.316 5.274 1.391 1.00 0.00 C ATOM 73 C VAL A 6 11.238 3.724 1.409 1.00 0.00 C ATOM 74 O VAL A 6 11.119 3.102 0.368 1.00 0.00 O ATOM 75 CB VAL A 6 9.882 5.893 1.284 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.141 5.766 2.633 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.904 7.386 0.901 1.00 0.00 C ATOM 0 H VAL A 6 11.685 5.491 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 6 11.782 5.621 2.313 1.00 0.00 H new ATOM 0 HB VAL A 6 9.371 5.337 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.145 6.201 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.055 4.714 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.699 6.294 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.882 7.761 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.454 7.947 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.392 7.506 -0.066 1.00 0.00 H new ATOM 87 N ARG A 7 11.311 3.165 2.587 1.00 0.00 N ATOM 88 CA ARG A 7 11.249 1.673 2.765 1.00 0.00 C ATOM 89 C ARG A 7 9.975 0.975 2.188 1.00 0.00 C ATOM 90 O ARG A 7 8.849 1.322 2.501 1.00 0.00 O ATOM 91 CB ARG A 7 11.376 1.399 4.292 1.00 0.00 C ATOM 92 CG ARG A 7 10.087 1.902 5.003 1.00 0.00 C ATOM 93 CD ARG A 7 10.195 1.805 6.538 1.00 0.00 C ATOM 94 NE ARG A 7 8.870 2.213 7.168 1.00 0.00 N ATOM 95 CZ ARG A 7 7.783 2.260 6.488 1.00 0.00 C ATOM 96 NH1 ARG A 7 7.463 3.329 5.879 1.00 0.00 N ATOM 97 NH2 ARG A 7 7.094 1.196 6.476 1.00 0.00 N ATOM 0 H ARG A 7 11.413 3.687 3.457 1.00 0.00 H new ATOM 0 HA ARG A 7 12.063 1.238 2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.515 0.333 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.252 1.908 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.897 2.937 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.234 1.316 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.451 0.787 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.995 2.451 6.898 1.00 0.00 H new ATOM 0 HE ARG A 7 8.846 2.456 8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.070 4.147 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.599 3.369 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.416 0.374 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.218 1.162 5.955 1.00 0.00 H new ATOM 111 N ALA A 8 10.204 0.003 1.347 1.00 0.00 N ATOM 112 CA ALA A 8 9.079 -0.764 0.715 1.00 0.00 C ATOM 113 C ALA A 8 9.137 -2.252 1.130 1.00 0.00 C ATOM 114 O ALA A 8 10.071 -2.952 0.783 1.00 0.00 O ATOM 115 CB ALA A 8 9.211 -0.602 -0.807 1.00 0.00 C ATOM 0 H ALA A 8 11.136 -0.300 1.064 1.00 0.00 H new ATOM 0 HA ALA A 8 8.114 -0.381 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.408 -1.148 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.146 0.454 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.173 -0.998 -1.133 1.00 0.00 H new ATOM 121 N THR A 9 8.141 -2.692 1.866 1.00 0.00 N ATOM 122 CA THR A 9 8.077 -4.122 2.341 1.00 0.00 C ATOM 123 C THR A 9 6.840 -4.882 1.830 1.00 0.00 C ATOM 124 O THR A 9 5.831 -4.340 1.419 1.00 0.00 O ATOM 125 CB THR A 9 8.096 -4.163 3.912 1.00 0.00 C ATOM 126 OG1 THR A 9 8.272 -5.531 4.258 1.00 0.00 O ATOM 127 CG2 THR A 9 6.726 -3.897 4.551 1.00 0.00 C ATOM 0 H THR A 9 7.355 -2.114 2.164 1.00 0.00 H new ATOM 0 HA THR A 9 8.953 -4.623 1.929 1.00 0.00 H new ATOM 0 HB THR A 9 8.841 -3.436 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.294 -5.621 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.816 -3.941 5.636 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.373 -2.909 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.015 -4.652 4.215 1.00 0.00 H new ATOM 135 N TYR A 10 7.033 -6.162 1.950 1.00 0.00 N ATOM 136 CA TYR A 10 6.023 -7.167 1.522 1.00 0.00 C ATOM 137 C TYR A 10 4.998 -7.915 2.363 1.00 0.00 C ATOM 138 O TYR A 10 5.242 -8.911 3.014 1.00 0.00 O ATOM 139 CB TYR A 10 6.801 -8.237 0.646 1.00 0.00 C ATOM 140 CG TYR A 10 8.306 -7.957 0.482 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.285 -8.002 1.458 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.668 -7.604 -0.798 1.00 0.00 C ATOM 143 CE1 TYR A 10 10.607 -7.686 1.126 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.957 -7.301 -1.110 1.00 0.00 C ATOM 145 CZ TYR A 10 10.942 -7.333 -0.167 1.00 0.00 C ATOM 146 OH TYR A 10 12.225 -6.993 -0.544 1.00 0.00 O ATOM 0 H TYR A 10 7.882 -6.569 2.342 1.00 0.00 H new ATOM 0 HA TYR A 10 5.307 -6.459 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.675 -9.220 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.343 -8.281 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.031 -8.279 2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.914 -7.567 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.372 -7.718 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.206 -7.030 -2.125 1.00 0.00 H new ATOM 0 HH TYR A 10 12.819 -7.761 -0.413 1.00 0.00 H new ATOM 156 N HIS A 11 3.835 -7.322 2.284 1.00 0.00 N ATOM 157 CA HIS A 11 2.619 -7.826 2.978 1.00 0.00 C ATOM 158 C HIS A 11 1.451 -7.669 1.966 1.00 0.00 C ATOM 159 O HIS A 11 0.422 -7.068 2.215 1.00 0.00 O ATOM 160 CB HIS A 11 2.405 -6.999 4.228 1.00 0.00 C ATOM 161 CG HIS A 11 1.374 -7.736 5.067 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.159 -7.444 6.292 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.494 -8.784 4.799 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.241 -8.217 6.774 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.201 -9.068 5.884 1.00 0.00 N ATOM 0 H HIS A 11 3.676 -6.472 1.742 1.00 0.00 H new ATOM 0 HA HIS A 11 2.699 -8.868 3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.338 -6.880 4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.055 -5.998 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.396 -9.287 3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.118 -8.166 7.791 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.917 -9.785 6.002 1.00 0.00 H new ATOM 173 N TYR A 12 1.731 -8.266 0.841 1.00 0.00 N ATOM 174 CA TYR A 12 0.823 -8.304 -0.348 1.00 0.00 C ATOM 175 C TYR A 12 -0.147 -9.492 -0.204 1.00 0.00 C ATOM 176 O TYR A 12 0.026 -10.323 0.669 1.00 0.00 O ATOM 177 CB TYR A 12 1.703 -8.488 -1.608 1.00 0.00 C ATOM 178 CG TYR A 12 3.002 -7.656 -1.594 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.082 -6.470 -0.900 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.123 -8.105 -2.282 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.249 -5.750 -0.887 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.298 -7.374 -2.263 1.00 0.00 C ATOM 183 CZ TYR A 12 5.359 -6.203 -1.563 1.00 0.00 C ATOM 184 OH TYR A 12 6.538 -5.503 -1.516 1.00 0.00 O ATOM 0 H TYR A 12 2.610 -8.761 0.688 1.00 0.00 H new ATOM 0 HA TYR A 12 0.243 -7.385 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.960 -9.542 -1.708 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.120 -8.217 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.220 -6.104 -0.362 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.077 -9.031 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.298 -4.819 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.165 -7.729 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 12 7.216 -6.036 -1.051 1.00 0.00 H new ATOM 194 N TYR A 13 -1.131 -9.546 -1.065 1.00 0.00 N ATOM 195 CA TYR A 13 -2.134 -10.674 -1.006 1.00 0.00 C ATOM 196 C TYR A 13 -2.290 -11.447 -2.362 1.00 0.00 C ATOM 197 O TYR A 13 -1.321 -11.702 -3.050 1.00 0.00 O ATOM 198 CB TYR A 13 -3.529 -10.107 -0.562 1.00 0.00 C ATOM 199 CG TYR A 13 -3.422 -9.241 0.697 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.574 -9.554 1.743 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.202 -8.106 0.779 1.00 0.00 C ATOM 202 CE1 TYR A 13 -2.508 -8.735 2.842 1.00 0.00 C ATOM 203 CE2 TYR A 13 -4.136 -7.286 1.884 1.00 0.00 C ATOM 204 CZ TYR A 13 -3.278 -7.611 2.912 1.00 0.00 C ATOM 205 OH TYR A 13 -3.175 -6.809 4.014 1.00 0.00 O ATOM 0 H TYR A 13 -1.290 -8.865 -1.807 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.755 -11.393 -0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.955 -9.516 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.214 -10.934 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.963 -10.443 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.871 -7.858 -0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.843 -8.982 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.749 -6.399 1.944 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.332 -5.877 3.756 1.00 0.00 H new ATOM 215 N ARG A 14 -3.503 -11.809 -2.713 1.00 0.00 N ATOM 216 CA ARG A 14 -3.773 -12.563 -3.990 1.00 0.00 C ATOM 217 C ARG A 14 -4.799 -11.848 -4.950 1.00 0.00 C ATOM 218 O ARG A 14 -5.897 -12.342 -5.125 1.00 0.00 O ATOM 219 CB ARG A 14 -4.288 -13.992 -3.579 1.00 0.00 C ATOM 220 CG ARG A 14 -3.308 -14.787 -2.683 1.00 0.00 C ATOM 221 CD ARG A 14 -3.962 -16.145 -2.326 1.00 0.00 C ATOM 222 NE ARG A 14 -2.932 -16.906 -1.526 1.00 0.00 N ATOM 223 CZ ARG A 14 -2.665 -18.169 -1.636 1.00 0.00 C ATOM 224 NH1 ARG A 14 -3.064 -18.848 -2.646 1.00 0.00 N ATOM 225 NH2 ARG A 14 -1.986 -18.707 -0.691 1.00 0.00 N ATOM 0 H ARG A 14 -4.336 -11.611 -2.159 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.850 -12.616 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.238 -13.887 -3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.485 -14.568 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.363 -14.946 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.082 -14.225 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.875 -15.999 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.239 -16.693 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.398 -16.378 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.603 -18.395 -3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.842 -19.841 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.681 -18.143 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.751 -19.699 -0.733 1.00 0.00 H new ATOM 239 N PRO A 15 -4.426 -10.725 -5.550 1.00 0.00 N ATOM 240 CA PRO A 15 -5.416 -9.791 -6.205 1.00 0.00 C ATOM 241 C PRO A 15 -6.384 -10.605 -7.082 1.00 0.00 C ATOM 242 O PRO A 15 -7.567 -10.748 -6.822 1.00 0.00 O ATOM 243 CB PRO A 15 -4.539 -8.771 -7.017 1.00 0.00 C ATOM 244 CG PRO A 15 -3.161 -8.847 -6.262 1.00 0.00 C ATOM 245 CD PRO A 15 -3.017 -10.262 -5.679 1.00 0.00 C ATOM 0 HA PRO A 15 -6.048 -9.252 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.446 -9.057 -8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.960 -7.766 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.340 -8.631 -6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.120 -8.101 -5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.439 -10.911 -6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.508 -10.250 -4.715 1.00 0.00 H new ATOM 253 N ALA A 16 -5.802 -11.138 -8.126 1.00 0.00 N ATOM 254 CA ALA A 16 -6.535 -11.975 -9.129 1.00 0.00 C ATOM 255 C ALA A 16 -7.483 -12.982 -8.445 1.00 0.00 C ATOM 256 O ALA A 16 -8.669 -12.994 -8.709 1.00 0.00 O ATOM 257 CB ALA A 16 -5.450 -12.661 -9.973 1.00 0.00 C ATOM 0 H ALA A 16 -4.810 -11.023 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.186 -11.370 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.920 -13.290 -10.728 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.837 -11.904 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.822 -13.276 -9.328 1.00 0.00 H new ATOM 263 N GLN A 17 -6.892 -13.779 -7.587 1.00 0.00 N ATOM 264 CA GLN A 17 -7.619 -14.832 -6.807 1.00 0.00 C ATOM 265 C GLN A 17 -9.094 -14.476 -6.518 1.00 0.00 C ATOM 266 O GLN A 17 -9.973 -15.254 -6.825 1.00 0.00 O ATOM 267 CB GLN A 17 -6.844 -15.055 -5.492 1.00 0.00 C ATOM 268 CG GLN A 17 -7.301 -16.369 -4.820 1.00 0.00 C ATOM 269 CD GLN A 17 -6.410 -17.512 -5.284 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.385 -17.825 -4.707 1.00 0.00 O ATOM 271 NE2 GLN A 17 -6.750 -18.168 -6.337 1.00 0.00 N ATOM 0 H GLN A 17 -5.892 -13.740 -7.388 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.657 -15.742 -7.406 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.774 -15.095 -5.694 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.010 -14.216 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.251 -16.272 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.340 -16.578 -5.074 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.605 -17.923 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.165 -18.933 -6.672 1.00 0.00 H new ATOM 280 N ASN A 18 -9.334 -13.323 -5.944 1.00 0.00 N ATOM 281 CA ASN A 18 -10.745 -12.919 -5.640 1.00 0.00 C ATOM 282 C ASN A 18 -11.200 -11.821 -6.636 1.00 0.00 C ATOM 283 O ASN A 18 -11.782 -10.852 -6.215 1.00 0.00 O ATOM 284 CB ASN A 18 -10.767 -12.411 -4.145 1.00 0.00 C ATOM 285 CG ASN A 18 -12.188 -12.269 -3.561 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.393 -11.977 -2.401 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.215 -12.459 -4.322 1.00 0.00 N ATOM 0 H ASN A 18 -8.620 -12.647 -5.674 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.439 -13.752 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.197 -13.104 -3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.263 -11.446 -4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.156 -12.362 -3.942 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.084 -12.706 -5.303 1.00 0.00 H new ATOM 294 N ASN A 19 -10.942 -11.966 -7.915 1.00 0.00 N ATOM 295 CA ASN A 19 -11.342 -10.955 -8.980 1.00 0.00 C ATOM 296 C ASN A 19 -11.272 -9.470 -8.515 1.00 0.00 C ATOM 297 O ASN A 19 -11.993 -8.624 -9.011 1.00 0.00 O ATOM 298 CB ASN A 19 -12.789 -11.304 -9.442 1.00 0.00 C ATOM 299 CG ASN A 19 -13.251 -10.461 -10.639 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.952 -10.719 -11.782 1.00 0.00 O ATOM 301 ND2 ASN A 19 -13.992 -9.416 -10.439 1.00 0.00 N ATOM 0 H ASN A 19 -10.449 -12.776 -8.291 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.622 -11.031 -9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.836 -12.360 -9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.477 -11.154 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -14.298 -8.849 -11.230 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -14.268 -9.161 -9.491 1.00 0.00 H new ATOM 308 N TRP A 20 -10.393 -9.236 -7.582 1.00 0.00 N ATOM 309 CA TRP A 20 -10.123 -7.898 -6.962 1.00 0.00 C ATOM 310 C TRP A 20 -11.344 -7.370 -6.273 1.00 0.00 C ATOM 311 O TRP A 20 -11.716 -6.218 -6.388 1.00 0.00 O ATOM 312 CB TRP A 20 -9.644 -6.898 -8.055 1.00 0.00 C ATOM 313 CG TRP A 20 -8.252 -7.311 -8.541 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.891 -8.580 -8.679 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.229 -6.546 -8.929 1.00 0.00 C ATOM 316 NE1 TRP A 20 -6.672 -8.527 -9.158 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.168 -7.323 -9.347 1.00 0.00 C ATOM 318 CE3 TRP A 20 -7.135 -5.190 -8.926 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.999 -6.723 -9.769 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.966 -4.616 -9.339 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.895 -5.351 -9.764 1.00 0.00 C ATOM 0 H TRP A 20 -9.806 -9.974 -7.194 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.339 -8.015 -6.214 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.346 -6.889 -8.889 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.616 -5.886 -7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -8.472 -9.461 -8.448 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -6.142 -9.371 -9.373 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -7.966 -4.580 -8.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.169 -7.328 -10.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -5.885 -3.539 -9.329 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.987 -4.865 -10.089 1.00 0.00 H new ATOM 332 N ASP A 21 -11.928 -8.281 -5.556 1.00 0.00 N ATOM 333 CA ASP A 21 -13.143 -7.991 -4.772 1.00 0.00 C ATOM 334 C ASP A 21 -12.607 -7.448 -3.438 1.00 0.00 C ATOM 335 O ASP A 21 -12.794 -7.902 -2.325 1.00 0.00 O ATOM 336 CB ASP A 21 -13.918 -9.285 -4.599 1.00 0.00 C ATOM 337 CG ASP A 21 -15.286 -8.909 -4.060 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.418 -8.849 -2.857 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.101 -8.693 -4.940 1.00 0.00 O ATOM 0 H ASP A 21 -11.599 -9.244 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.823 -7.276 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.008 -9.811 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.402 -9.955 -3.911 1.00 0.00 H new ATOM 344 N LEU A 22 -11.882 -6.385 -3.628 1.00 0.00 N ATOM 345 CA LEU A 22 -11.271 -5.691 -2.483 1.00 0.00 C ATOM 346 C LEU A 22 -12.356 -5.241 -1.479 1.00 0.00 C ATOM 347 O LEU A 22 -12.041 -4.735 -0.418 1.00 0.00 O ATOM 348 CB LEU A 22 -10.558 -4.561 -3.070 1.00 0.00 C ATOM 349 CG LEU A 22 -9.309 -4.921 -3.873 1.00 0.00 C ATOM 350 CD1 LEU A 22 -9.120 -3.624 -4.646 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.185 -5.007 -2.795 1.00 0.00 C ATOM 0 H LEU A 22 -11.689 -5.969 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.596 -6.329 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.244 -4.019 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.271 -3.879 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.333 -5.820 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.244 -3.708 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.002 -3.432 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.978 -2.801 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.240 -5.262 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.088 -4.045 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.440 -5.774 -2.064 1.00 0.00 H new ATOM 363 N GLY A 23 -13.601 -5.443 -1.864 1.00 0.00 N ATOM 364 CA GLY A 23 -14.775 -5.071 -0.998 1.00 0.00 C ATOM 365 C GLY A 23 -15.213 -6.315 -0.209 1.00 0.00 C ATOM 366 O GLY A 23 -16.282 -6.363 0.369 1.00 0.00 O ATOM 0 H GLY A 23 -13.857 -5.858 -2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.502 -4.266 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.597 -4.703 -1.612 1.00 0.00 H new ATOM 370 N ALA A 24 -14.346 -7.299 -0.216 1.00 0.00 N ATOM 371 CA ALA A 24 -14.565 -8.599 0.494 1.00 0.00 C ATOM 372 C ALA A 24 -14.206 -8.409 2.004 1.00 0.00 C ATOM 373 O ALA A 24 -13.140 -7.904 2.305 1.00 0.00 O ATOM 374 CB ALA A 24 -13.637 -9.658 -0.181 1.00 0.00 C ATOM 0 H ALA A 24 -13.454 -7.250 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.601 -8.932 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.768 -10.622 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.897 -9.750 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.598 -9.342 -0.089 1.00 0.00 H new ATOM 380 N PRO A 25 -15.085 -8.803 2.910 1.00 0.00 N ATOM 381 CA PRO A 25 -14.982 -8.496 4.382 1.00 0.00 C ATOM 382 C PRO A 25 -13.559 -8.466 5.003 1.00 0.00 C ATOM 383 O PRO A 25 -13.170 -7.550 5.696 1.00 0.00 O ATOM 384 CB PRO A 25 -15.878 -9.554 5.081 1.00 0.00 C ATOM 385 CG PRO A 25 -16.465 -10.440 3.940 1.00 0.00 C ATOM 386 CD PRO A 25 -16.301 -9.629 2.637 1.00 0.00 C ATOM 0 HA PRO A 25 -15.304 -7.466 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.298 -10.154 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.674 -9.076 5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.937 -11.391 3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.514 -10.670 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.163 -10.278 1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.174 -9.009 2.434 1.00 0.00 H new ATOM 394 N ALA A 26 -12.830 -9.511 4.724 1.00 0.00 N ATOM 395 CA ALA A 26 -11.429 -9.680 5.239 1.00 0.00 C ATOM 396 C ALA A 26 -10.438 -8.573 4.836 1.00 0.00 C ATOM 397 O ALA A 26 -9.393 -8.396 5.434 1.00 0.00 O ATOM 398 CB ALA A 26 -10.945 -11.057 4.741 1.00 0.00 C ATOM 0 H ALA A 26 -13.153 -10.283 4.141 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.458 -9.608 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.927 -11.232 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.600 -11.836 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.965 -11.078 3.651 1.00 0.00 H new ATOM 404 N VAL A 27 -10.824 -7.877 3.812 1.00 0.00 N ATOM 405 CA VAL A 27 -10.012 -6.754 3.250 1.00 0.00 C ATOM 406 C VAL A 27 -10.717 -5.388 3.406 1.00 0.00 C ATOM 407 O VAL A 27 -10.263 -4.482 4.078 1.00 0.00 O ATOM 408 CB VAL A 27 -9.780 -7.009 1.730 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.640 -6.097 1.255 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.486 -8.493 1.401 1.00 0.00 C ATOM 0 H VAL A 27 -11.701 -8.042 3.318 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.072 -6.720 3.801 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.701 -6.773 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.462 -6.261 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.914 -5.055 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.733 -6.327 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.334 -8.604 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.588 -8.812 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.329 -9.109 1.714 1.00 0.00 H new ATOM 420 N SER A 28 -11.839 -5.400 2.724 1.00 0.00 N ATOM 421 CA SER A 28 -12.813 -4.276 2.580 1.00 0.00 C ATOM 422 C SER A 28 -12.075 -2.926 2.678 1.00 0.00 C ATOM 423 O SER A 28 -12.124 -2.213 3.664 1.00 0.00 O ATOM 424 CB SER A 28 -13.913 -4.398 3.688 1.00 0.00 C ATOM 425 OG SER A 28 -13.277 -4.099 4.922 1.00 0.00 O ATOM 0 H SER A 28 -12.139 -6.231 2.215 1.00 0.00 H new ATOM 0 HA SER A 28 -13.295 -4.327 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.734 -3.707 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.338 -5.402 3.704 1.00 0.00 H new ATOM 0 HG SER A 28 -12.944 -3.177 4.904 1.00 0.00 H new ATOM 431 N ALA A 29 -11.386 -2.634 1.613 1.00 0.00 N ATOM 432 CA ALA A 29 -10.590 -1.362 1.533 1.00 0.00 C ATOM 433 C ALA A 29 -11.281 -0.087 0.966 1.00 0.00 C ATOM 434 O ALA A 29 -12.232 -0.149 0.210 1.00 0.00 O ATOM 435 CB ALA A 29 -9.343 -1.690 0.706 1.00 0.00 C ATOM 0 H ALA A 29 -11.335 -3.223 0.782 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.397 -1.069 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.723 -0.798 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.775 -2.478 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.643 -2.028 -0.286 1.00 0.00 H new ATOM 441 N TYR A 30 -10.752 1.040 1.376 1.00 0.00 N ATOM 442 CA TYR A 30 -11.248 2.398 0.947 1.00 0.00 C ATOM 443 C TYR A 30 -11.871 2.473 -0.452 1.00 0.00 C ATOM 444 O TYR A 30 -13.059 2.682 -0.615 1.00 0.00 O ATOM 445 CB TYR A 30 -10.071 3.427 1.005 1.00 0.00 C ATOM 446 CG TYR A 30 -10.346 4.592 1.964 1.00 0.00 C ATOM 447 CD1 TYR A 30 -11.533 5.303 1.850 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.428 4.977 2.918 1.00 0.00 C ATOM 449 CE1 TYR A 30 -11.788 6.382 2.674 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.687 6.059 3.739 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.864 6.757 3.618 1.00 0.00 C ATOM 452 OH TYR A 30 -11.110 7.836 4.432 1.00 0.00 O ATOM 0 H TYR A 30 -9.961 1.080 2.019 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.050 2.628 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.161 2.914 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.889 3.821 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.264 5.010 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.502 4.431 3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.713 6.930 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.960 6.357 4.480 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.355 7.963 5.043 1.00 0.00 H new ATOM 462 N CYS A 31 -11.022 2.267 -1.423 1.00 0.00 N ATOM 463 CA CYS A 31 -11.525 2.327 -2.817 1.00 0.00 C ATOM 464 C CYS A 31 -12.198 1.071 -3.268 1.00 0.00 C ATOM 465 O CYS A 31 -12.788 1.098 -4.318 1.00 0.00 O ATOM 466 CB CYS A 31 -10.352 2.665 -3.698 1.00 0.00 C ATOM 467 SG CYS A 31 -9.613 4.210 -3.153 1.00 0.00 S ATOM 0 H CYS A 31 -10.028 2.065 -1.313 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.301 3.090 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.614 1.864 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.676 2.751 -4.735 1.00 0.00 H new ATOM 472 N ALA A 32 -12.136 0.004 -2.523 1.00 0.00 N ATOM 473 CA ALA A 32 -12.813 -1.250 -2.971 1.00 0.00 C ATOM 474 C ALA A 32 -14.229 -0.880 -3.519 1.00 0.00 C ATOM 475 O ALA A 32 -14.616 -1.291 -4.591 1.00 0.00 O ATOM 476 CB ALA A 32 -12.896 -2.150 -1.773 1.00 0.00 C ATOM 0 H ALA A 32 -11.650 -0.057 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 32 -12.271 -1.758 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.385 -3.083 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.891 -2.362 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.472 -1.659 -0.988 1.00 0.00 H new ATOM 482 N THR A 33 -14.924 -0.098 -2.724 1.00 0.00 N ATOM 483 CA THR A 33 -16.318 0.404 -3.029 1.00 0.00 C ATOM 484 C THR A 33 -16.506 1.023 -4.413 1.00 0.00 C ATOM 485 O THR A 33 -17.557 0.909 -5.015 1.00 0.00 O ATOM 486 CB THR A 33 -16.718 1.457 -1.985 1.00 0.00 C ATOM 487 OG1 THR A 33 -16.639 0.739 -0.768 1.00 0.00 O ATOM 488 CG2 THR A 33 -18.220 1.767 -2.020 1.00 0.00 C ATOM 0 H THR A 33 -14.566 0.232 -1.828 1.00 0.00 H new ATOM 0 HA THR A 33 -16.948 -0.485 -3.000 1.00 0.00 H new ATOM 0 HB THR A 33 -16.117 2.355 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.878 1.330 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.454 2.517 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.490 2.148 -3.005 1.00 0.00 H new ATOM 0 HG23 THR A 33 -18.784 0.857 -1.816 1.00 0.00 H new ATOM 496 N TRP A 34 -15.463 1.668 -4.866 1.00 0.00 N ATOM 497 CA TRP A 34 -15.468 2.345 -6.200 1.00 0.00 C ATOM 498 C TRP A 34 -14.549 1.697 -7.232 1.00 0.00 C ATOM 499 O TRP A 34 -14.983 1.523 -8.350 1.00 0.00 O ATOM 500 CB TRP A 34 -15.104 3.824 -5.930 1.00 0.00 C ATOM 501 CG TRP A 34 -16.331 4.475 -5.256 1.00 0.00 C ATOM 502 CD1 TRP A 34 -17.615 4.437 -5.722 1.00 0.00 C ATOM 503 CD2 TRP A 34 -16.308 5.161 -4.101 1.00 0.00 C ATOM 504 NE1 TRP A 34 -18.280 5.112 -4.800 1.00 0.00 N ATOM 505 CE2 TRP A 34 -17.577 5.588 -3.780 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.233 5.451 -3.286 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -17.766 6.313 -2.621 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -15.420 6.179 -2.124 1.00 0.00 C ATOM 509 CH2 TRP A 34 -16.694 6.610 -1.792 1.00 0.00 C ATOM 0 H TRP A 34 -14.585 1.757 -4.355 1.00 0.00 H new ATOM 0 HA TRP A 34 -16.453 2.252 -6.657 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.228 3.894 -5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.858 4.336 -6.860 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -17.993 3.971 -6.620 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.287 5.260 -4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.244 5.109 -3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -18.757 6.652 -2.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -14.582 6.409 -1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.853 7.178 -0.887 1.00 0.00 H new ATOM 520 N ASP A 35 -13.347 1.339 -6.889 1.00 0.00 N ATOM 521 CA ASP A 35 -12.396 0.703 -7.836 1.00 0.00 C ATOM 522 C ASP A 35 -12.628 -0.829 -8.044 1.00 0.00 C ATOM 523 O ASP A 35 -12.329 -1.338 -9.116 1.00 0.00 O ATOM 524 CB ASP A 35 -10.982 0.953 -7.288 1.00 0.00 C ATOM 525 CG ASP A 35 -10.434 2.367 -7.395 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.159 3.342 -7.494 1.00 0.00 O ATOM 527 OD2 ASP A 35 -9.215 2.323 -7.353 1.00 0.00 O ATOM 0 H ASP A 35 -12.970 1.468 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.546 1.147 -8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.972 0.666 -6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.295 0.285 -7.808 1.00 0.00 H new ATOM 532 N ALA A 36 -13.152 -1.538 -7.060 1.00 0.00 N ATOM 533 CA ALA A 36 -13.352 -3.017 -7.286 1.00 0.00 C ATOM 534 C ALA A 36 -14.445 -3.286 -8.346 1.00 0.00 C ATOM 535 O ALA A 36 -14.677 -4.404 -8.764 1.00 0.00 O ATOM 536 CB ALA A 36 -13.728 -3.665 -5.944 1.00 0.00 C ATOM 0 H ALA A 36 -13.439 -1.178 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.427 -3.451 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.877 -4.735 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.926 -3.503 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.648 -3.217 -5.569 1.00 0.00 H new ATOM 542 N SER A 37 -15.060 -2.207 -8.737 1.00 0.00 N ATOM 543 CA SER A 37 -16.149 -2.216 -9.754 1.00 0.00 C ATOM 544 C SER A 37 -15.528 -2.106 -11.159 1.00 0.00 C ATOM 545 O SER A 37 -16.104 -2.575 -12.122 1.00 0.00 O ATOM 546 CB SER A 37 -17.075 -1.016 -9.506 1.00 0.00 C ATOM 547 OG SER A 37 -16.374 0.077 -10.101 1.00 0.00 O ATOM 0 H SER A 37 -14.842 -1.278 -8.377 1.00 0.00 H new ATOM 0 HA SER A 37 -16.721 -3.141 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.053 -1.163 -9.965 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.243 -0.853 -8.442 1.00 0.00 H new ATOM 0 HG SER A 37 -15.977 0.633 -9.398 1.00 0.00 H new ATOM 553 N LYS A 38 -14.367 -1.499 -11.275 1.00 0.00 N ATOM 554 CA LYS A 38 -13.718 -1.364 -12.616 1.00 0.00 C ATOM 555 C LYS A 38 -13.547 -2.741 -13.275 1.00 0.00 C ATOM 556 O LYS A 38 -13.270 -3.706 -12.599 1.00 0.00 O ATOM 557 CB LYS A 38 -12.323 -0.686 -12.439 1.00 0.00 C ATOM 558 CG LYS A 38 -12.435 0.854 -12.375 1.00 0.00 C ATOM 559 CD LYS A 38 -12.681 1.375 -13.819 1.00 0.00 C ATOM 560 CE LYS A 38 -12.721 2.890 -13.828 1.00 0.00 C ATOM 561 NZ LYS A 38 -12.889 3.335 -15.247 1.00 0.00 N ATOM 0 H LYS A 38 -13.844 -1.093 -10.499 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.350 -0.752 -13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.854 -1.054 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.674 -0.969 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.253 1.150 -11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.523 1.286 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.891 1.021 -14.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.620 0.977 -14.202 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.544 3.254 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.803 3.299 -13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.920 4.374 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.088 2.992 -15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.776 2.949 -15.629 1.00 0.00 H new ATOM 575 N PRO A 39 -13.681 -2.854 -14.568 1.00 0.00 N ATOM 576 CA PRO A 39 -13.445 -4.177 -15.214 1.00 0.00 C ATOM 577 C PRO A 39 -12.035 -4.727 -14.855 1.00 0.00 C ATOM 578 O PRO A 39 -11.082 -3.972 -14.716 1.00 0.00 O ATOM 579 CB PRO A 39 -13.667 -3.880 -16.707 1.00 0.00 C ATOM 580 CG PRO A 39 -13.383 -2.353 -16.822 1.00 0.00 C ATOM 581 CD PRO A 39 -14.034 -1.788 -15.545 1.00 0.00 C ATOM 0 HA PRO A 39 -14.108 -4.974 -14.878 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.993 -4.462 -17.336 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.683 -4.123 -17.018 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.314 -2.142 -16.859 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.823 -1.926 -17.723 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.625 -0.817 -15.265 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.112 -1.662 -15.650 1.00 0.00 H new ATOM 589 N LEU A 40 -11.937 -6.033 -14.719 1.00 0.00 N ATOM 590 CA LEU A 40 -10.626 -6.678 -14.371 1.00 0.00 C ATOM 591 C LEU A 40 -9.491 -6.075 -15.223 1.00 0.00 C ATOM 592 O LEU A 40 -8.507 -5.608 -14.690 1.00 0.00 O ATOM 593 CB LEU A 40 -10.775 -8.210 -14.602 1.00 0.00 C ATOM 594 CG LEU A 40 -10.553 -9.001 -13.272 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.755 -10.489 -13.583 1.00 0.00 C ATOM 596 CD2 LEU A 40 -9.107 -8.823 -12.763 1.00 0.00 C ATOM 0 H LEU A 40 -12.715 -6.683 -14.835 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.366 -6.495 -13.328 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.767 -8.427 -14.997 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.055 -8.540 -15.350 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.247 -8.636 -12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.607 -11.074 -12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.766 -10.649 -13.957 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.035 -10.804 -14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.976 -9.382 -11.837 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.409 -9.195 -13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.913 -7.766 -12.579 1.00 0.00 H new ATOM 608 N SER A 41 -9.676 -6.097 -16.528 1.00 0.00 N ATOM 609 CA SER A 41 -8.672 -5.545 -17.502 1.00 0.00 C ATOM 610 C SER A 41 -7.915 -4.321 -16.937 1.00 0.00 C ATOM 611 O SER A 41 -6.710 -4.324 -16.779 1.00 0.00 O ATOM 612 CB SER A 41 -9.440 -5.169 -18.802 1.00 0.00 C ATOM 613 OG SER A 41 -9.876 -6.408 -19.360 1.00 0.00 O ATOM 0 H SER A 41 -10.508 -6.487 -16.970 1.00 0.00 H new ATOM 0 HA SER A 41 -7.911 -6.299 -17.703 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.286 -4.518 -18.583 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.795 -4.631 -19.497 1.00 0.00 H new ATOM 0 HG SER A 41 -10.372 -6.237 -20.188 1.00 0.00 H new ATOM 619 N TRP A 42 -8.656 -3.288 -16.622 1.00 0.00 N ATOM 620 CA TRP A 42 -7.972 -2.059 -16.072 1.00 0.00 C ATOM 621 C TRP A 42 -7.324 -2.320 -14.690 1.00 0.00 C ATOM 622 O TRP A 42 -6.158 -2.037 -14.444 1.00 0.00 O ATOM 623 CB TRP A 42 -9.031 -0.926 -15.985 1.00 0.00 C ATOM 624 CG TRP A 42 -8.365 0.390 -15.531 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.775 1.272 -16.384 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.245 0.861 -14.265 1.00 0.00 C ATOM 627 NE1 TRP A 42 -7.330 2.220 -15.578 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.565 2.061 -14.291 1.00 0.00 C ATOM 629 CE3 TRP A 42 -8.676 0.366 -13.050 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -7.313 2.758 -13.133 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -8.428 1.063 -11.878 1.00 0.00 C ATOM 632 CH2 TRP A 42 -7.745 2.262 -11.917 1.00 0.00 C ATOM 0 H TRP A 42 -9.670 -3.233 -16.714 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.157 -1.771 -16.737 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.506 -0.786 -16.956 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.817 -1.206 -15.283 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.691 1.212 -17.459 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.830 3.034 -15.934 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.211 -0.572 -13.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.777 3.695 -13.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -8.770 0.668 -10.933 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.550 2.808 -11.006 1.00 0.00 H new ATOM 643 N ARG A 43 -8.153 -2.874 -13.849 1.00 0.00 N ATOM 644 CA ARG A 43 -7.747 -3.214 -12.454 1.00 0.00 C ATOM 645 C ARG A 43 -6.346 -3.829 -12.386 1.00 0.00 C ATOM 646 O ARG A 43 -5.528 -3.355 -11.623 1.00 0.00 O ATOM 647 CB ARG A 43 -8.817 -4.180 -11.858 1.00 0.00 C ATOM 648 CG ARG A 43 -10.047 -3.336 -11.498 1.00 0.00 C ATOM 649 CD ARG A 43 -10.917 -4.013 -10.424 1.00 0.00 C ATOM 650 NE ARG A 43 -11.808 -5.043 -11.067 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.175 -6.111 -10.477 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.360 -6.082 -9.228 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.346 -7.174 -11.134 1.00 0.00 N ATOM 0 H ARG A 43 -9.119 -3.111 -14.075 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.697 -2.297 -11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.080 -4.954 -12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.427 -4.687 -10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.724 -2.359 -11.139 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.644 -3.165 -12.394 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.283 -4.484 -9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.521 -3.267 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.133 -4.878 -12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.215 -5.215 -8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.654 -6.926 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.190 -7.181 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.640 -8.027 -10.657 1.00 0.00 H new ATOM 667 N SER A 44 -6.173 -4.839 -13.206 1.00 0.00 N ATOM 668 CA SER A 44 -4.895 -5.629 -13.339 1.00 0.00 C ATOM 669 C SER A 44 -3.890 -4.989 -14.321 1.00 0.00 C ATOM 670 O SER A 44 -2.715 -5.294 -14.277 1.00 0.00 O ATOM 671 CB SER A 44 -5.255 -7.013 -13.817 1.00 0.00 C ATOM 672 OG SER A 44 -5.993 -6.680 -14.984 1.00 0.00 O ATOM 0 H SER A 44 -6.911 -5.170 -13.828 1.00 0.00 H new ATOM 0 HA SER A 44 -4.405 -5.652 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.377 -7.621 -14.037 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.850 -7.565 -13.089 1.00 0.00 H new ATOM 0 HG SER A 44 -6.303 -7.501 -15.420 1.00 0.00 H new ATOM 678 N LYS A 45 -4.380 -4.146 -15.197 1.00 0.00 N ATOM 679 CA LYS A 45 -3.494 -3.441 -16.193 1.00 0.00 C ATOM 680 C LYS A 45 -2.605 -2.453 -15.391 1.00 0.00 C ATOM 681 O LYS A 45 -1.418 -2.323 -15.627 1.00 0.00 O ATOM 682 CB LYS A 45 -4.375 -2.664 -17.195 1.00 0.00 C ATOM 683 CG LYS A 45 -3.490 -1.959 -18.242 1.00 0.00 C ATOM 684 CD LYS A 45 -4.301 -0.886 -19.048 1.00 0.00 C ATOM 685 CE LYS A 45 -4.106 0.536 -18.464 1.00 0.00 C ATOM 686 NZ LYS A 45 -4.992 0.720 -17.282 1.00 0.00 N ATOM 0 H LYS A 45 -5.369 -3.909 -15.270 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.878 -4.148 -16.749 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.065 -3.347 -17.691 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.981 -1.929 -16.665 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.646 -1.481 -17.745 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.078 -2.698 -18.929 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.984 -0.898 -20.091 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.360 -1.143 -19.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.065 0.681 -18.176 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.335 1.285 -19.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.040 1.730 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.946 0.372 -17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.609 0.187 -16.475 1.00 0.00 H new ATOM 700 N TYR A 46 -3.238 -1.784 -14.461 1.00 0.00 N ATOM 701 CA TYR A 46 -2.504 -0.795 -13.609 1.00 0.00 C ATOM 702 C TYR A 46 -2.029 -1.513 -12.321 1.00 0.00 C ATOM 703 O TYR A 46 -2.367 -2.657 -12.100 1.00 0.00 O ATOM 704 CB TYR A 46 -3.496 0.396 -13.315 1.00 0.00 C ATOM 705 CG TYR A 46 -2.976 1.725 -13.910 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.254 1.734 -15.091 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.223 2.937 -13.274 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.789 2.916 -15.622 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.753 4.124 -13.820 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.037 4.111 -14.995 1.00 0.00 C ATOM 711 OH TYR A 46 -1.558 5.275 -15.561 1.00 0.00 O ATOM 0 H TYR A 46 -4.232 -1.879 -14.253 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.617 -0.392 -14.099 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.476 0.167 -13.734 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.627 0.505 -12.238 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.053 0.804 -15.601 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.783 2.955 -12.351 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.223 2.903 -16.542 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.950 5.061 -13.321 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.230 5.983 -15.471 1.00 0.00 H new ATOM 721 N GLY A 47 -1.260 -0.840 -11.498 1.00 0.00 N ATOM 722 CA GLY A 47 -0.759 -1.486 -10.231 1.00 0.00 C ATOM 723 C GLY A 47 -1.804 -1.851 -9.165 1.00 0.00 C ATOM 724 O GLY A 47 -2.944 -2.152 -9.445 1.00 0.00 O ATOM 0 H GLY A 47 -0.956 0.123 -11.643 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.225 -2.396 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.032 -0.814 -9.775 1.00 0.00 H new ATOM 728 N TRP A 48 -1.345 -1.807 -7.942 1.00 0.00 N ATOM 729 CA TRP A 48 -2.149 -2.115 -6.721 1.00 0.00 C ATOM 730 C TRP A 48 -1.362 -1.642 -5.525 1.00 0.00 C ATOM 731 O TRP A 48 -0.507 -2.356 -5.077 1.00 0.00 O ATOM 732 CB TRP A 48 -2.423 -3.691 -6.603 1.00 0.00 C ATOM 733 CG TRP A 48 -3.887 -4.005 -6.456 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.723 -3.206 -7.071 1.00 0.00 C ATOM 735 CD2 TRP A 48 -4.553 -5.010 -5.823 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.877 -3.737 -6.814 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.881 -4.819 -6.076 1.00 0.00 C ATOM 738 CE3 TRP A 48 -4.212 -6.085 -5.023 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.839 -5.648 -5.576 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -5.176 -6.939 -4.495 1.00 0.00 C ATOM 741 CH2 TRP A 48 -6.508 -6.715 -4.779 1.00 0.00 C ATOM 0 H TRP A 48 -0.380 -1.553 -7.729 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.115 -1.612 -6.775 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.033 -4.193 -7.488 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.880 -4.089 -5.746 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.504 -2.321 -7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.742 -3.331 -7.170 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.171 -6.267 -4.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.877 -5.463 -5.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.884 -7.769 -3.869 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -7.273 -7.366 -4.382 1.00 0.00 H new ATOM 752 N THR A 49 -1.583 -0.464 -5.018 1.00 0.00 N ATOM 753 CA THR A 49 -0.776 -0.064 -3.816 1.00 0.00 C ATOM 754 C THR A 49 -1.613 0.600 -2.691 1.00 0.00 C ATOM 755 O THR A 49 -2.653 1.203 -2.909 1.00 0.00 O ATOM 756 CB THR A 49 0.360 0.858 -4.344 1.00 0.00 C ATOM 757 OG1 THR A 49 1.231 0.994 -3.236 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.055 2.290 -4.604 1.00 0.00 C ATOM 0 H THR A 49 -2.257 0.221 -5.360 1.00 0.00 H new ATOM 0 HA THR A 49 -0.369 -0.950 -3.329 1.00 0.00 H new ATOM 0 HB THR A 49 0.739 0.421 -5.268 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.987 1.566 -3.483 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.802 2.856 -4.969 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.848 2.309 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.418 2.737 -3.679 1.00 0.00 H new ATOM 766 N ALA A 50 -1.117 0.451 -1.484 1.00 0.00 N ATOM 767 CA ALA A 50 -1.807 1.047 -0.278 1.00 0.00 C ATOM 768 C ALA A 50 -0.918 2.201 0.258 1.00 0.00 C ATOM 769 O ALA A 50 0.280 2.160 0.056 1.00 0.00 O ATOM 770 CB ALA A 50 -1.975 -0.062 0.799 1.00 0.00 C ATOM 0 H ALA A 50 -0.259 -0.060 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.792 1.436 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.472 0.354 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.576 -0.875 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.995 -0.443 1.085 1.00 0.00 H new ATOM 776 N PHE A 51 -1.482 3.179 0.912 1.00 0.00 N ATOM 777 CA PHE A 51 -0.648 4.317 1.445 1.00 0.00 C ATOM 778 C PHE A 51 -0.942 4.626 2.919 1.00 0.00 C ATOM 779 O PHE A 51 -2.069 4.871 3.274 1.00 0.00 O ATOM 780 CB PHE A 51 -0.928 5.551 0.561 1.00 0.00 C ATOM 781 CG PHE A 51 -0.083 6.749 1.019 1.00 0.00 C ATOM 782 CD1 PHE A 51 1.293 6.722 0.925 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.692 7.872 1.528 1.00 0.00 C ATOM 784 CE1 PHE A 51 2.047 7.803 1.335 1.00 0.00 C ATOM 785 CE2 PHE A 51 0.059 8.949 1.935 1.00 0.00 C ATOM 786 CZ PHE A 51 1.422 8.914 1.839 1.00 0.00 C ATOM 0 H PHE A 51 -2.481 3.248 1.105 1.00 0.00 H new ATOM 0 HA PHE A 51 0.405 4.037 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.703 5.318 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.987 5.806 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.785 5.847 0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.768 7.908 1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.124 7.774 1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.430 9.826 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.007 9.763 2.161 1.00 0.00 H new ATOM 796 N CYS A 52 0.062 4.619 3.752 1.00 0.00 N ATOM 797 CA CYS A 52 -0.199 4.918 5.196 1.00 0.00 C ATOM 798 C CYS A 52 -0.206 6.431 5.441 1.00 0.00 C ATOM 799 O CYS A 52 -1.137 6.947 6.025 1.00 0.00 O ATOM 800 CB CYS A 52 0.892 4.226 5.998 1.00 0.00 C ATOM 801 SG CYS A 52 0.610 4.137 7.783 1.00 0.00 S ATOM 0 H CYS A 52 1.033 4.424 3.507 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.179 4.551 5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.012 3.212 5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.833 4.746 5.822 1.00 0.00 H new ATOM 806 N GLY A 53 0.831 7.068 4.967 1.00 0.00 N ATOM 807 CA GLY A 53 0.997 8.561 5.110 1.00 0.00 C ATOM 808 C GLY A 53 2.215 9.471 5.386 1.00 0.00 C ATOM 809 O GLY A 53 2.013 10.582 5.815 1.00 0.00 O ATOM 0 H GLY A 53 1.596 6.610 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.588 8.955 4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.296 8.823 5.903 1.00 0.00 H new ATOM 813 N PRO A 54 3.438 9.016 5.144 1.00 0.00 N ATOM 814 CA PRO A 54 4.668 9.878 5.259 1.00 0.00 C ATOM 815 C PRO A 54 4.603 11.169 4.422 1.00 0.00 C ATOM 816 O PRO A 54 5.126 12.206 4.781 1.00 0.00 O ATOM 817 CB PRO A 54 5.850 8.971 4.845 1.00 0.00 C ATOM 818 CG PRO A 54 5.251 7.583 4.467 1.00 0.00 C ATOM 819 CD PRO A 54 3.739 7.614 4.738 1.00 0.00 C ATOM 0 HA PRO A 54 4.776 10.246 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.388 9.401 4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.565 8.873 5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.443 7.361 3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.724 6.794 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.175 7.333 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.466 6.910 5.524 1.00 0.00 H new ATOM 827 N ALA A 55 3.952 11.038 3.305 1.00 0.00 N ATOM 828 CA ALA A 55 3.770 12.186 2.355 1.00 0.00 C ATOM 829 C ALA A 55 2.416 12.862 2.686 1.00 0.00 C ATOM 830 O ALA A 55 1.971 12.881 3.818 1.00 0.00 O ATOM 831 CB ALA A 55 3.827 11.589 0.916 1.00 0.00 C ATOM 0 H ALA A 55 3.525 10.165 2.996 1.00 0.00 H new ATOM 0 HA ALA A 55 4.541 12.952 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.699 12.388 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.792 11.106 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.030 10.855 0.795 1.00 0.00 H new ATOM 837 N GLY A 56 1.812 13.400 1.671 1.00 0.00 N ATOM 838 CA GLY A 56 0.484 14.098 1.820 1.00 0.00 C ATOM 839 C GLY A 56 -0.673 13.192 1.379 1.00 0.00 C ATOM 840 O GLY A 56 -1.027 13.205 0.217 1.00 0.00 O ATOM 0 H GLY A 56 2.180 13.392 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.341 14.395 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.481 15.011 1.225 1.00 0.00 H new ATOM 844 N PRO A 57 -1.254 12.415 2.270 1.00 0.00 N ATOM 845 CA PRO A 57 -2.525 11.717 1.928 1.00 0.00 C ATOM 846 C PRO A 57 -3.702 12.708 1.796 1.00 0.00 C ATOM 847 O PRO A 57 -3.804 13.684 2.514 1.00 0.00 O ATOM 848 CB PRO A 57 -2.733 10.699 3.058 1.00 0.00 C ATOM 849 CG PRO A 57 -1.996 11.359 4.270 1.00 0.00 C ATOM 850 CD PRO A 57 -0.787 12.123 3.659 1.00 0.00 C ATOM 0 HA PRO A 57 -2.476 11.224 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.791 10.540 3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.308 9.727 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.657 12.038 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.663 10.606 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.563 13.035 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.119 11.517 3.663 1.00 0.00 H new ATOM 858 N ARG A 58 -4.584 12.426 0.864 1.00 0.00 N ATOM 859 CA ARG A 58 -5.790 13.307 0.626 1.00 0.00 C ATOM 860 C ARG A 58 -7.131 12.559 0.890 1.00 0.00 C ATOM 861 O ARG A 58 -8.100 12.683 0.165 1.00 0.00 O ATOM 862 CB ARG A 58 -5.671 13.840 -0.851 1.00 0.00 C ATOM 863 CG ARG A 58 -6.695 15.008 -1.100 1.00 0.00 C ATOM 864 CD ARG A 58 -6.165 16.324 -0.484 1.00 0.00 C ATOM 865 NE ARG A 58 -7.168 17.464 -0.625 1.00 0.00 N ATOM 866 CZ ARG A 58 -8.324 17.410 -1.178 1.00 0.00 C ATOM 867 NH1 ARG A 58 -9.339 17.043 -0.505 1.00 0.00 N ATOM 868 NH2 ARG A 58 -8.387 17.751 -2.396 1.00 0.00 N ATOM 0 H ARG A 58 -4.524 11.615 0.248 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.804 14.140 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.656 14.193 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.859 13.028 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.856 15.138 -2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.660 14.755 -0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.941 16.166 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.230 16.601 -0.970 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.890 18.366 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.235 16.790 0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.257 17.001 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.544 18.049 -2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.281 17.727 -2.887 1.00 0.00 H new ATOM 882 N GLY A 59 -7.096 11.815 1.969 1.00 0.00 N ATOM 883 CA GLY A 59 -8.240 10.961 2.484 1.00 0.00 C ATOM 884 C GLY A 59 -9.344 10.695 1.458 1.00 0.00 C ATOM 885 O GLY A 59 -9.287 9.701 0.762 1.00 0.00 O ATOM 0 H GLY A 59 -6.266 11.757 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.840 10.006 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.679 11.450 3.353 1.00 0.00 H new ATOM 889 N GLN A 60 -10.307 11.576 1.369 1.00 0.00 N ATOM 890 CA GLN A 60 -11.415 11.372 0.379 1.00 0.00 C ATOM 891 C GLN A 60 -10.842 11.527 -1.063 1.00 0.00 C ATOM 892 O GLN A 60 -10.717 10.574 -1.808 1.00 0.00 O ATOM 893 CB GLN A 60 -12.540 12.438 0.645 1.00 0.00 C ATOM 894 CG GLN A 60 -13.193 12.293 2.066 1.00 0.00 C ATOM 895 CD GLN A 60 -14.359 13.291 2.257 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.300 13.333 1.500 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.380 14.128 3.248 1.00 0.00 N ATOM 0 H GLN A 60 -10.377 12.423 1.933 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.842 10.374 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.118 13.438 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.314 12.341 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.559 11.275 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.438 12.462 2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.614 14.141 3.921 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.163 14.773 3.354 1.00 0.00 H new ATOM 906 N ALA A 61 -10.469 12.728 -1.424 1.00 0.00 N ATOM 907 CA ALA A 61 -9.908 13.003 -2.792 1.00 0.00 C ATOM 908 C ALA A 61 -8.546 12.321 -3.112 1.00 0.00 C ATOM 909 O ALA A 61 -7.796 12.752 -3.970 1.00 0.00 O ATOM 910 CB ALA A 61 -9.805 14.527 -2.911 1.00 0.00 C ATOM 0 H ALA A 61 -10.529 13.548 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.579 12.563 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.402 14.789 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.795 14.969 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.145 14.909 -2.132 1.00 0.00 H new ATOM 916 N ALA A 62 -8.267 11.274 -2.389 1.00 0.00 N ATOM 917 CA ALA A 62 -7.022 10.479 -2.558 1.00 0.00 C ATOM 918 C ALA A 62 -7.451 9.119 -3.197 1.00 0.00 C ATOM 919 O ALA A 62 -6.664 8.500 -3.887 1.00 0.00 O ATOM 920 CB ALA A 62 -6.368 10.317 -1.152 1.00 0.00 C ATOM 0 H ALA A 62 -8.881 10.923 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.282 10.949 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.450 9.737 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.137 11.300 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.060 9.801 -0.486 1.00 0.00 H new ATOM 926 N CYS A 63 -8.687 8.705 -2.984 1.00 0.00 N ATOM 927 CA CYS A 63 -9.181 7.395 -3.566 1.00 0.00 C ATOM 928 C CYS A 63 -9.489 7.446 -5.102 1.00 0.00 C ATOM 929 O CYS A 63 -10.108 6.601 -5.723 1.00 0.00 O ATOM 930 CB CYS A 63 -10.424 7.019 -2.746 1.00 0.00 C ATOM 931 SG CYS A 63 -11.201 5.460 -3.217 1.00 0.00 S ATOM 0 H CYS A 63 -9.377 9.215 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.396 6.642 -3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.145 6.966 -1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.159 7.818 -2.841 1.00 0.00 H new ATOM 936 N GLY A 64 -8.995 8.523 -5.641 1.00 0.00 N ATOM 937 CA GLY A 64 -9.102 8.875 -7.089 1.00 0.00 C ATOM 938 C GLY A 64 -7.749 9.386 -7.585 1.00 0.00 C ATOM 939 O GLY A 64 -7.687 10.077 -8.583 1.00 0.00 O ATOM 0 H GLY A 64 -8.486 9.221 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.408 8.002 -7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.867 9.637 -7.234 1.00 0.00 H new ATOM 943 N LYS A 65 -6.682 9.060 -6.888 1.00 0.00 N ATOM 944 CA LYS A 65 -5.313 9.511 -7.304 1.00 0.00 C ATOM 945 C LYS A 65 -4.382 8.307 -7.537 1.00 0.00 C ATOM 946 O LYS A 65 -4.542 7.223 -6.995 1.00 0.00 O ATOM 947 CB LYS A 65 -4.717 10.416 -6.197 1.00 0.00 C ATOM 948 CG LYS A 65 -5.293 11.846 -6.220 1.00 0.00 C ATOM 949 CD LYS A 65 -4.619 12.644 -7.365 1.00 0.00 C ATOM 950 CE LYS A 65 -4.911 14.120 -7.157 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.341 14.864 -8.317 1.00 0.00 N ATOM 0 H LYS A 65 -6.703 8.494 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.398 10.065 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.911 9.967 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.635 10.463 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.372 11.815 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.117 12.338 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.543 12.467 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.999 12.315 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.985 14.291 -7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.469 14.469 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.927 15.700 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.372 15.167 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.326 14.245 -9.153 1.00 0.00 H new ATOM 965 N CYS A 66 -3.396 8.550 -8.351 1.00 0.00 N ATOM 966 CA CYS A 66 -2.417 7.475 -8.667 1.00 0.00 C ATOM 967 C CYS A 66 -1.032 7.791 -8.077 1.00 0.00 C ATOM 968 O CYS A 66 -0.617 8.923 -7.938 1.00 0.00 O ATOM 969 CB CYS A 66 -2.422 7.336 -10.207 1.00 0.00 C ATOM 970 SG CYS A 66 -3.648 6.131 -10.790 1.00 0.00 S ATOM 0 H CYS A 66 -3.225 9.444 -8.811 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.689 6.522 -8.212 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.630 8.307 -10.656 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.431 7.034 -10.545 1.00 0.00 H new ATOM 975 N LEU A 67 -0.322 6.765 -7.730 1.00 0.00 N ATOM 976 CA LEU A 67 1.038 6.987 -7.140 1.00 0.00 C ATOM 977 C LEU A 67 2.070 6.686 -8.226 1.00 0.00 C ATOM 978 O LEU A 67 2.065 5.606 -8.790 1.00 0.00 O ATOM 979 CB LEU A 67 1.161 6.039 -5.906 1.00 0.00 C ATOM 980 CG LEU A 67 1.009 6.824 -4.573 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.780 5.821 -3.421 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.308 7.569 -4.266 1.00 0.00 C ATOM 0 H LEU A 67 -0.609 5.791 -7.823 1.00 0.00 H new ATOM 0 HA LEU A 67 1.203 8.010 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.397 5.264 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.128 5.536 -5.926 1.00 0.00 H new ATOM 0 HG LEU A 67 0.175 7.520 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.672 6.364 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.126 5.246 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.632 5.144 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.200 8.119 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.125 6.853 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.527 8.267 -5.074 1.00 0.00 H new ATOM 994 N ARG A 68 2.918 7.628 -8.513 1.00 0.00 N ATOM 995 CA ARG A 68 3.931 7.360 -9.559 1.00 0.00 C ATOM 996 C ARG A 68 5.104 6.803 -8.749 1.00 0.00 C ATOM 997 O ARG A 68 5.649 7.494 -7.903 1.00 0.00 O ATOM 998 CB ARG A 68 4.282 8.673 -10.278 1.00 0.00 C ATOM 999 CG ARG A 68 5.518 8.428 -11.178 1.00 0.00 C ATOM 1000 CD ARG A 68 5.574 9.526 -12.224 1.00 0.00 C ATOM 1001 NE ARG A 68 6.921 9.443 -12.880 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.626 10.494 -13.018 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.420 10.859 -12.091 1.00 0.00 N ATOM 1004 NH2 ARG A 68 7.480 11.126 -14.104 1.00 0.00 N ATOM 0 H ARG A 68 2.954 8.551 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 68 3.614 6.674 -10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.438 9.013 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.493 9.458 -9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.429 8.428 -10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.451 7.451 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.779 9.399 -12.959 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.429 10.504 -11.764 1.00 0.00 H new ATOM 0 HE ARG A 68 7.271 8.546 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.492 10.309 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.984 11.702 -12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.826 10.785 -14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.017 11.976 -14.275 1.00 0.00 H new ATOM 1018 N VAL A 69 5.423 5.569 -9.041 1.00 0.00 N ATOM 1019 CA VAL A 69 6.548 4.896 -8.331 1.00 0.00 C ATOM 1020 C VAL A 69 7.661 4.597 -9.320 1.00 0.00 C ATOM 1021 O VAL A 69 7.436 4.060 -10.388 1.00 0.00 O ATOM 1022 CB VAL A 69 6.062 3.568 -7.685 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.250 2.860 -6.962 1.00 0.00 C ATOM 1024 CG2 VAL A 69 4.999 3.904 -6.637 1.00 0.00 C ATOM 0 H VAL A 69 4.951 4.998 -9.742 1.00 0.00 H new ATOM 0 HA VAL A 69 6.916 5.557 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 69 5.662 2.913 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.900 1.931 -6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.037 2.640 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.644 3.514 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.644 2.985 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.431 4.553 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.163 4.414 -7.117 1.00 0.00 H new ATOM 1034 N THR A 70 8.820 4.982 -8.862 1.00 0.00 N ATOM 1035 CA THR A 70 10.099 4.808 -9.635 1.00 0.00 C ATOM 1036 C THR A 70 11.152 4.085 -8.780 1.00 0.00 C ATOM 1037 O THR A 70 11.106 4.144 -7.562 1.00 0.00 O ATOM 1038 CB THR A 70 10.624 6.205 -10.052 1.00 0.00 C ATOM 1039 OG1 THR A 70 9.733 6.637 -11.067 1.00 0.00 O ATOM 1040 CG2 THR A 70 11.948 6.168 -10.826 1.00 0.00 C ATOM 0 H THR A 70 8.944 5.426 -7.952 1.00 0.00 H new ATOM 0 HA THR A 70 9.907 4.203 -10.521 1.00 0.00 H new ATOM 0 HB THR A 70 10.723 6.798 -9.143 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.246 6.943 -11.844 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.249 7.184 -11.082 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.718 5.706 -10.208 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.819 5.587 -11.739 1.00 0.00 H new ATOM 1048 N ASN A 71 12.061 3.427 -9.436 1.00 0.00 N ATOM 1049 CA ASN A 71 13.162 2.677 -8.760 1.00 0.00 C ATOM 1050 C ASN A 71 14.510 3.381 -9.089 1.00 0.00 C ATOM 1051 O ASN A 71 14.827 3.474 -10.265 1.00 0.00 O ATOM 1052 CB ASN A 71 13.056 1.275 -9.324 1.00 0.00 C ATOM 1053 CG ASN A 71 14.142 0.355 -8.815 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.322 0.642 -8.879 1.00 0.00 O ATOM 1055 ND2 ASN A 71 13.803 -0.781 -8.296 1.00 0.00 N ATOM 0 H ASN A 71 12.090 3.374 -10.454 1.00 0.00 H new ATOM 0 HA ASN A 71 13.100 2.647 -7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.083 0.858 -9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.106 1.321 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.521 -1.418 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.818 -1.040 -8.233 1.00 0.00 H new ATOM 1062 N PRO A 72 15.267 3.854 -8.116 1.00 0.00 N ATOM 1063 CA PRO A 72 16.512 4.611 -8.457 1.00 0.00 C ATOM 1064 C PRO A 72 17.573 3.798 -9.248 1.00 0.00 C ATOM 1065 O PRO A 72 18.028 4.196 -10.300 1.00 0.00 O ATOM 1066 CB PRO A 72 17.063 5.112 -7.105 1.00 0.00 C ATOM 1067 CG PRO A 72 16.077 4.624 -5.983 1.00 0.00 C ATOM 1068 CD PRO A 72 14.999 3.730 -6.654 1.00 0.00 C ATOM 0 HA PRO A 72 16.272 5.424 -9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.065 4.721 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.140 6.199 -7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.616 4.064 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.612 5.476 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.079 2.695 -6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.993 4.067 -6.405 1.00 0.00 H new ATOM 1076 N ALA A 73 17.931 2.672 -8.688 1.00 0.00 N ATOM 1077 CA ALA A 73 18.947 1.742 -9.282 1.00 0.00 C ATOM 1078 C ALA A 73 18.743 1.334 -10.754 1.00 0.00 C ATOM 1079 O ALA A 73 19.675 1.333 -11.534 1.00 0.00 O ATOM 1080 CB ALA A 73 18.980 0.498 -8.388 1.00 0.00 C ATOM 0 H ALA A 73 17.544 2.343 -7.803 1.00 0.00 H new ATOM 0 HA ALA A 73 19.890 2.288 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.708 -0.213 -8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.263 0.785 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.993 0.035 -8.372 1.00 0.00 H new ATOM 1086 N THR A 74 17.526 0.995 -11.082 1.00 0.00 N ATOM 1087 CA THR A 74 17.231 0.571 -12.501 1.00 0.00 C ATOM 1088 C THR A 74 16.734 1.753 -13.319 1.00 0.00 C ATOM 1089 O THR A 74 17.136 1.949 -14.449 1.00 0.00 O ATOM 1090 CB THR A 74 16.135 -0.564 -12.529 1.00 0.00 C ATOM 1091 OG1 THR A 74 14.911 0.080 -12.165 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.386 -1.544 -11.378 1.00 0.00 C ATOM 0 H THR A 74 16.727 0.989 -10.447 1.00 0.00 H new ATOM 0 HA THR A 74 18.157 0.191 -12.932 1.00 0.00 H new ATOM 0 HB THR A 74 16.133 -1.065 -13.497 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.294 -0.580 -11.785 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.629 -2.328 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.374 -1.990 -11.489 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.333 -1.011 -10.429 1.00 0.00 H new ATOM 1100 N GLY A 75 15.862 2.505 -12.713 1.00 0.00 N ATOM 1101 CA GLY A 75 15.264 3.711 -13.363 1.00 0.00 C ATOM 1102 C GLY A 75 13.881 3.356 -13.878 1.00 0.00 C ATOM 1103 O GLY A 75 13.270 4.137 -14.575 1.00 0.00 O ATOM 0 H GLY A 75 15.527 2.332 -11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.201 4.532 -12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.896 4.050 -14.184 1.00 0.00 H new ATOM 1107 N ALA A 76 13.417 2.186 -13.530 1.00 0.00 N ATOM 1108 CA ALA A 76 12.067 1.779 -14.002 1.00 0.00 C ATOM 1109 C ALA A 76 10.996 2.379 -13.069 1.00 0.00 C ATOM 1110 O ALA A 76 11.223 2.656 -11.905 1.00 0.00 O ATOM 1111 CB ALA A 76 12.055 0.243 -14.015 1.00 0.00 C ATOM 0 H ALA A 76 13.907 1.506 -12.949 1.00 0.00 H new ATOM 0 HA ALA A 76 11.842 2.148 -15.003 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.082 -0.110 -14.356 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.830 -0.121 -14.690 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.245 -0.131 -13.009 1.00 0.00 H new ATOM 1117 N GLN A 77 9.846 2.569 -13.654 1.00 0.00 N ATOM 1118 CA GLN A 77 8.666 3.149 -12.930 1.00 0.00 C ATOM 1119 C GLN A 77 7.295 2.641 -13.441 1.00 0.00 C ATOM 1120 O GLN A 77 7.178 2.205 -14.569 1.00 0.00 O ATOM 1121 CB GLN A 77 8.749 4.695 -13.064 1.00 0.00 C ATOM 1122 CG GLN A 77 8.886 5.101 -14.569 1.00 0.00 C ATOM 1123 CD GLN A 77 8.593 6.569 -14.851 1.00 0.00 C ATOM 1124 OE1 GLN A 77 8.307 7.392 -14.008 1.00 0.00 O ATOM 1125 NE2 GLN A 77 8.658 6.977 -16.071 1.00 0.00 N ATOM 0 H GLN A 77 9.665 2.341 -14.632 1.00 0.00 H new ATOM 0 HA GLN A 77 8.719 2.825 -11.891 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.857 5.153 -12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.602 5.071 -12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.898 4.874 -14.904 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.208 4.487 -15.162 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.895 6.322 -16.816 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.472 7.955 -16.292 1.00 0.00 H new ATOM 1134 N ILE A 78 6.310 2.725 -12.583 1.00 0.00 N ATOM 1135 CA ILE A 78 4.897 2.296 -12.890 1.00 0.00 C ATOM 1136 C ILE A 78 3.842 3.283 -12.307 1.00 0.00 C ATOM 1137 O ILE A 78 4.159 4.042 -11.401 1.00 0.00 O ATOM 1138 CB ILE A 78 4.738 0.895 -12.287 1.00 0.00 C ATOM 1139 CG1 ILE A 78 3.683 0.095 -13.073 1.00 0.00 C ATOM 1140 CG2 ILE A 78 4.295 0.925 -10.801 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.292 -0.451 -14.371 1.00 0.00 C ATOM 0 H ILE A 78 6.428 3.089 -11.638 1.00 0.00 H new ATOM 0 HA ILE A 78 4.724 2.291 -13.966 1.00 0.00 H new ATOM 0 HB ILE A 78 5.720 0.427 -12.349 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.311 -0.728 -12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.829 0.733 -13.303 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.199 -0.095 -10.429 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.040 1.458 -10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.334 1.433 -10.718 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.537 -1.015 -14.918 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.642 0.378 -14.986 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.131 -1.105 -14.132 1.00 0.00 H new ATOM 1153 N THR A 79 2.630 3.250 -12.822 1.00 0.00 N ATOM 1154 CA THR A 79 1.575 4.181 -12.276 1.00 0.00 C ATOM 1155 C THR A 79 0.630 3.316 -11.426 1.00 0.00 C ATOM 1156 O THR A 79 -0.090 2.442 -11.887 1.00 0.00 O ATOM 1157 CB THR A 79 0.781 4.855 -13.423 1.00 0.00 C ATOM 1158 OG1 THR A 79 1.808 5.564 -14.092 1.00 0.00 O ATOM 1159 CG2 THR A 79 -0.040 6.041 -12.893 1.00 0.00 C ATOM 0 H THR A 79 2.328 2.636 -13.578 1.00 0.00 H new ATOM 0 HA THR A 79 2.033 4.977 -11.689 1.00 0.00 H new ATOM 0 HB THR A 79 0.169 4.127 -13.956 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.429 6.044 -14.858 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.590 6.499 -13.715 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.743 5.688 -12.138 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.630 6.778 -12.449 1.00 0.00 H new ATOM 1167 N ALA A 80 0.678 3.581 -10.150 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.182 2.810 -9.213 1.00 0.00 C ATOM 1169 C ALA A 80 -1.429 3.626 -8.862 1.00 0.00 C ATOM 1170 O ALA A 80 -1.562 4.770 -9.229 1.00 0.00 O ATOM 1171 CB ALA A 80 0.676 2.488 -7.971 1.00 0.00 C ATOM 0 H ALA A 80 1.270 4.291 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.535 1.880 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.081 1.921 -7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.543 1.899 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.011 3.417 -7.509 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.305 2.998 -8.150 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.584 3.655 -7.732 1.00 0.00 C ATOM 1179 C ARG A 81 -3.710 3.483 -6.227 1.00 0.00 C ATOM 1180 O ARG A 81 -3.504 2.374 -5.763 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.800 2.978 -8.412 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.451 2.370 -9.791 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.693 1.022 -9.620 1.00 0.00 C ATOM 1184 NE ARG A 81 -4.609 -0.167 -9.517 1.00 0.00 N ATOM 1185 CZ ARG A 81 -5.863 -0.150 -9.340 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.375 0.409 -8.312 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.527 -0.736 -10.244 1.00 0.00 N ATOM 0 H ARG A 81 -2.197 2.036 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.569 4.706 -8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.185 2.193 -7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.597 3.711 -8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.364 2.210 -10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.836 3.069 -10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.020 0.881 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.073 1.073 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.173 -1.086 -9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.772 0.851 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.387 0.414 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.045 -1.171 -11.030 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.545 -0.773 -10.186 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.044 4.551 -5.548 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.200 4.502 -4.053 1.00 0.00 C ATOM 1203 C ILE A 82 -5.440 3.630 -3.792 1.00 0.00 C ATOM 1204 O ILE A 82 -6.552 4.084 -3.973 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.406 5.970 -3.497 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -3.109 6.812 -3.717 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.741 5.932 -1.977 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -3.293 8.264 -3.170 1.00 0.00 C ATOM 0 H ILE A 82 -4.218 5.465 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.323 4.088 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.235 6.429 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.269 6.333 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.868 6.846 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.880 6.949 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.656 5.361 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.922 5.459 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.378 8.833 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.119 8.747 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.511 8.226 -2.103 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.233 2.403 -3.385 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.395 1.476 -3.110 1.00 0.00 C ATOM 1222 C VAL A 83 -6.769 1.381 -1.616 1.00 0.00 C ATOM 1223 O VAL A 83 -7.912 1.630 -1.265 1.00 0.00 O ATOM 1224 CB VAL A 83 -6.026 0.056 -3.658 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.141 -0.959 -3.292 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -5.910 0.105 -5.191 1.00 0.00 C ATOM 0 H VAL A 83 -4.312 1.994 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.272 1.885 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.078 -0.251 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.877 -1.944 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.246 -1.009 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.084 -0.638 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.653 -0.885 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.862 0.420 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.132 0.814 -5.475 1.00 0.00 H new ATOM 1236 N ASP A 84 -5.798 1.003 -0.814 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.031 0.878 0.678 1.00 0.00 C ATOM 1238 C ASP A 84 -5.053 1.685 1.634 1.00 0.00 C ATOM 1239 O ASP A 84 -4.176 2.413 1.211 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.023 -0.675 0.930 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.628 -1.059 2.277 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.340 -0.252 2.853 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.346 -2.167 2.672 1.00 0.00 O ATOM 0 H ASP A 84 -4.853 0.774 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.971 1.359 0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.578 -1.171 0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.998 -1.041 0.880 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.209 1.543 2.923 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.355 2.258 3.960 1.00 0.00 C ATOM 1250 C GLN A 85 -3.538 1.252 4.831 1.00 0.00 C ATOM 1251 O GLN A 85 -3.589 0.068 4.577 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.331 3.076 4.836 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.735 4.441 5.312 1.00 0.00 C ATOM 1254 CD GLN A 85 -4.799 5.481 4.197 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.686 5.517 3.369 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -3.874 6.375 4.138 1.00 0.00 N ATOM 0 H GLN A 85 -5.921 0.937 3.331 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.620 2.900 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.245 3.263 4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.609 2.484 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.286 4.800 6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.700 4.301 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.116 6.370 4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.900 7.088 3.409 1.00 0.00 H new ATOM 1265 N CYS A 86 -2.814 1.700 5.830 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.016 0.759 6.701 1.00 0.00 C ATOM 1267 C CYS A 86 -2.925 0.148 7.797 1.00 0.00 C ATOM 1268 O CYS A 86 -2.782 0.310 8.994 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.846 1.539 7.348 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.190 3.227 7.888 1.00 0.00 S ATOM 0 H CYS A 86 -2.737 2.684 6.086 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.618 -0.053 6.093 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.496 0.972 8.210 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.024 1.572 6.633 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.870 -0.567 7.264 1.00 0.00 N ATOM 1276 CA ALA A 87 -4.896 -1.285 8.065 1.00 0.00 C ATOM 1277 C ALA A 87 -4.443 -2.762 8.151 1.00 0.00 C ATOM 1278 O ALA A 87 -4.407 -3.348 9.213 1.00 0.00 O ATOM 1279 CB ALA A 87 -6.233 -1.111 7.319 1.00 0.00 C ATOM 0 H ALA A 87 -3.978 -0.688 6.257 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.017 -0.908 9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -7.025 -1.622 7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.471 -0.050 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.150 -1.538 6.319 1.00 0.00 H new ATOM 1285 N ASN A 88 -4.106 -3.311 7.014 1.00 0.00 N ATOM 1286 CA ASN A 88 -3.639 -4.738 6.902 1.00 0.00 C ATOM 1287 C ASN A 88 -2.219 -4.867 6.254 1.00 0.00 C ATOM 1288 O ASN A 88 -1.318 -5.430 6.844 1.00 0.00 O ATOM 1289 CB ASN A 88 -4.786 -5.469 6.107 1.00 0.00 C ATOM 1290 CG ASN A 88 -5.174 -4.664 4.860 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -4.400 -4.499 3.946 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -6.339 -4.118 4.747 1.00 0.00 N ATOM 0 H ASN A 88 -4.134 -2.816 6.123 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.487 -5.202 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.456 -6.466 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.657 -5.597 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.570 -3.577 3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.028 -4.228 5.491 1.00 0.00 H new ATOM 1299 N GLY A 89 -2.060 -4.330 5.066 1.00 0.00 N ATOM 1300 CA GLY A 89 -0.752 -4.363 4.299 1.00 0.00 C ATOM 1301 C GLY A 89 -0.045 -2.988 4.319 1.00 0.00 C ATOM 1302 O GLY A 89 -0.558 -2.043 4.878 1.00 0.00 O ATOM 0 H GLY A 89 -2.810 -3.849 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.095 -5.117 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.942 -4.660 3.268 1.00 0.00 H new ATOM 1306 N GLY A 90 1.115 -2.898 3.721 1.00 0.00 N ATOM 1307 CA GLY A 90 1.889 -1.598 3.685 1.00 0.00 C ATOM 1308 C GLY A 90 2.583 -1.281 2.353 1.00 0.00 C ATOM 1309 O GLY A 90 3.786 -1.442 2.299 1.00 0.00 O ATOM 0 H GLY A 90 1.574 -3.676 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.207 -0.782 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.643 -1.622 4.471 1.00 0.00 H new ATOM 1313 N LEU A 91 1.794 -0.867 1.385 1.00 0.00 N ATOM 1314 CA LEU A 91 2.197 -0.487 -0.029 1.00 0.00 C ATOM 1315 C LEU A 91 1.755 -1.672 -0.932 1.00 0.00 C ATOM 1316 O LEU A 91 1.050 -2.538 -0.445 1.00 0.00 O ATOM 1317 CB LEU A 91 3.765 -0.245 -0.112 1.00 0.00 C ATOM 1318 CG LEU A 91 4.148 0.791 -1.196 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.730 2.211 -0.765 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.672 0.752 -1.333 1.00 0.00 C ATOM 0 H LEU A 91 0.789 -0.767 1.531 1.00 0.00 H new ATOM 0 HA LEU A 91 1.725 0.442 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.128 0.097 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.265 -1.190 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 91 3.646 0.553 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.009 2.924 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.651 2.242 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.235 2.472 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.988 1.470 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.130 1.007 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.985 -0.249 -1.629 1.00 0.00 H new ATOM 1332 N ASP A 92 2.151 -1.669 -2.178 1.00 0.00 N ATOM 1333 CA ASP A 92 1.796 -2.763 -3.166 1.00 0.00 C ATOM 1334 C ASP A 92 0.817 -3.898 -2.690 1.00 0.00 C ATOM 1335 O ASP A 92 1.227 -4.792 -1.975 1.00 0.00 O ATOM 1336 CB ASP A 92 3.195 -3.346 -3.667 1.00 0.00 C ATOM 1337 CG ASP A 92 4.411 -2.661 -3.032 1.00 0.00 C ATOM 1338 OD1 ASP A 92 4.504 -1.486 -3.338 1.00 0.00 O ATOM 1339 OD2 ASP A 92 5.162 -3.296 -2.313 1.00 0.00 O ATOM 0 H ASP A 92 2.729 -0.929 -2.577 1.00 0.00 H new ATOM 0 HA ASP A 92 1.194 -2.313 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.234 -4.413 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.255 -3.242 -4.750 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.454 -3.900 -3.072 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.323 -5.005 -2.582 1.00 0.00 C ATOM 1346 C LEU A 93 -0.954 -6.289 -3.333 1.00 0.00 C ATOM 1347 O LEU A 93 -1.017 -7.367 -2.779 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.817 -4.626 -2.825 1.00 0.00 C ATOM 1349 CG LEU A 93 -3.381 -3.547 -1.890 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -2.728 -2.178 -2.155 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.899 -3.441 -2.108 1.00 0.00 C ATOM 0 H LEU A 93 -0.899 -3.209 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.177 -5.166 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.925 -4.284 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.424 -5.525 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.162 -3.832 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.150 -1.436 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.653 -2.250 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.919 -1.877 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.309 -2.677 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.100 -3.171 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.366 -4.400 -1.886 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.569 -6.163 -4.568 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.206 -7.305 -5.382 1.00 0.00 C ATOM 1365 C ASP A 94 1.302 -7.605 -5.239 1.00 0.00 C ATOM 1366 O ASP A 94 2.030 -7.213 -4.356 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.607 -6.885 -6.742 1.00 0.00 C ATOM 1368 CG ASP A 94 0.381 -5.791 -7.119 1.00 0.00 C ATOM 1369 OD1 ASP A 94 0.105 -4.656 -6.821 1.00 0.00 O ATOM 1370 OD2 ASP A 94 1.393 -6.112 -7.708 1.00 0.00 O ATOM 0 H ASP A 94 -0.495 -5.267 -5.049 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.690 -8.240 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.561 -7.718 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.632 -6.514 -6.755 1.00 0.00 H new ATOM 1375 N TRP A 95 1.707 -8.324 -6.229 1.00 0.00 N ATOM 1376 CA TRP A 95 3.106 -8.784 -6.358 1.00 0.00 C ATOM 1377 C TRP A 95 3.741 -8.687 -7.750 1.00 0.00 C ATOM 1378 O TRP A 95 4.945 -8.597 -7.880 1.00 0.00 O ATOM 1379 CB TRP A 95 3.081 -10.186 -5.941 1.00 0.00 C ATOM 1380 CG TRP A 95 4.477 -10.769 -6.187 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.603 -10.433 -5.496 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.781 -11.670 -7.138 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.527 -11.169 -6.089 1.00 0.00 N ATOM 1384 CE2 TRP A 95 6.125 -11.943 -7.082 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.992 -12.295 -8.085 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 6.683 -12.837 -7.959 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 4.544 -13.189 -8.969 1.00 0.00 C ATOM 1388 CH2 TRP A 95 5.893 -13.463 -8.904 1.00 0.00 C ATOM 0 H TRP A 95 1.099 -8.627 -6.990 1.00 0.00 H new ATOM 0 HA TRP A 95 3.727 -8.124 -5.752 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.813 -10.267 -4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.330 -10.740 -6.505 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.712 -9.742 -4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.503 -11.141 -5.794 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.935 -12.079 -8.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.740 -13.052 -7.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.926 -13.674 -9.710 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.334 -14.168 -9.593 1.00 0.00 H new ATOM 1399 N ASP A 96 2.892 -8.699 -8.732 1.00 0.00 N ATOM 1400 CA ASP A 96 3.417 -8.662 -10.164 1.00 0.00 C ATOM 1401 C ASP A 96 3.091 -7.403 -10.927 1.00 0.00 C ATOM 1402 O ASP A 96 3.638 -7.110 -11.964 1.00 0.00 O ATOM 1403 CB ASP A 96 2.845 -9.962 -10.897 1.00 0.00 C ATOM 1404 CG ASP A 96 3.112 -10.044 -12.431 1.00 0.00 C ATOM 1405 OD1 ASP A 96 4.237 -9.847 -12.859 1.00 0.00 O ATOM 1406 OD2 ASP A 96 2.157 -10.319 -13.134 1.00 0.00 O ATOM 0 H ASP A 96 1.877 -8.732 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 96 4.507 -8.659 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.277 -10.844 -10.424 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.769 -10.007 -10.731 1.00 0.00 H new ATOM 1411 N THR A 97 2.200 -6.671 -10.360 1.00 0.00 N ATOM 1412 CA THR A 97 1.721 -5.396 -10.947 1.00 0.00 C ATOM 1413 C THR A 97 2.595 -4.231 -10.450 1.00 0.00 C ATOM 1414 O THR A 97 3.038 -3.443 -11.266 1.00 0.00 O ATOM 1415 CB THR A 97 0.179 -5.332 -10.564 1.00 0.00 C ATOM 1416 OG1 THR A 97 -0.099 -4.363 -9.566 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.380 -6.730 -10.020 1.00 0.00 C ATOM 0 H THR A 97 1.759 -6.909 -9.472 1.00 0.00 H new ATOM 0 HA THR A 97 1.810 -5.326 -12.031 1.00 0.00 H new ATOM 0 HB THR A 97 -0.315 -5.064 -11.498 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.051 -4.396 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.437 -6.628 -9.774 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.258 -7.494 -10.788 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.174 -7.021 -9.127 1.00 0.00 H new ATOM 1425 N VAL A 98 2.829 -4.098 -9.168 1.00 0.00 N ATOM 1426 CA VAL A 98 3.689 -2.970 -8.671 1.00 0.00 C ATOM 1427 C VAL A 98 5.219 -3.217 -8.548 1.00 0.00 C ATOM 1428 O VAL A 98 6.004 -2.762 -9.355 1.00 0.00 O ATOM 1429 CB VAL A 98 3.087 -2.526 -7.314 1.00 0.00 C ATOM 1430 CG1 VAL A 98 3.887 -1.332 -6.704 1.00 0.00 C ATOM 1431 CG2 VAL A 98 1.687 -2.011 -7.575 1.00 0.00 C ATOM 0 H VAL A 98 2.465 -4.717 -8.444 1.00 0.00 H new ATOM 0 HA VAL A 98 3.660 -2.200 -9.442 1.00 0.00 H new ATOM 0 HB VAL A 98 3.111 -3.376 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.441 -1.043 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.922 -1.632 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.857 -0.486 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.236 -1.690 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.732 -1.167 -8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.083 -2.805 -8.015 1.00 0.00 H new ATOM 1441 N PHE A 99 5.555 -3.972 -7.521 1.00 0.00 N ATOM 1442 CA PHE A 99 6.969 -4.355 -7.137 1.00 0.00 C ATOM 1443 C PHE A 99 7.885 -4.856 -8.276 1.00 0.00 C ATOM 1444 O PHE A 99 8.420 -4.030 -8.980 1.00 0.00 O ATOM 1445 CB PHE A 99 6.859 -5.428 -5.975 1.00 0.00 C ATOM 1446 CG PHE A 99 8.209 -5.494 -5.206 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.229 -6.346 -5.598 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.428 -4.676 -4.106 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.429 -6.379 -4.917 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.630 -4.713 -3.421 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.628 -5.564 -3.831 1.00 0.00 C ATOM 0 H PHE A 99 4.858 -4.366 -6.889 1.00 0.00 H new ATOM 0 HA PHE A 99 7.471 -3.440 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.052 -5.161 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.615 -6.406 -6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.083 -6.994 -6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.650 -4.002 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.213 -7.048 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.784 -4.073 -2.565 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.568 -5.591 -3.299 1.00 0.00 H new ATOM 1461 N THR A 100 8.055 -6.150 -8.461 1.00 0.00 N ATOM 1462 CA THR A 100 8.936 -6.777 -9.549 1.00 0.00 C ATOM 1463 C THR A 100 8.948 -6.111 -10.926 1.00 0.00 C ATOM 1464 O THR A 100 9.707 -6.514 -11.788 1.00 0.00 O ATOM 1465 CB THR A 100 8.567 -8.303 -9.824 1.00 0.00 C ATOM 1466 OG1 THR A 100 8.004 -8.439 -11.123 1.00 0.00 O ATOM 1467 CG2 THR A 100 7.356 -8.722 -9.114 1.00 0.00 C ATOM 0 H THR A 100 7.597 -6.847 -7.874 1.00 0.00 H new ATOM 0 HA THR A 100 9.920 -6.637 -9.101 1.00 0.00 H new ATOM 0 HB THR A 100 9.487 -8.837 -9.586 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.781 -9.379 -11.286 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.149 -9.769 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.503 -8.600 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.514 -8.109 -9.437 1.00 0.00 H new ATOM 1475 N LYS A 101 8.116 -5.131 -11.120 1.00 0.00 N ATOM 1476 CA LYS A 101 8.026 -4.399 -12.409 1.00 0.00 C ATOM 1477 C LYS A 101 8.956 -3.138 -12.436 1.00 0.00 C ATOM 1478 O LYS A 101 9.408 -2.709 -13.481 1.00 0.00 O ATOM 1479 CB LYS A 101 6.561 -3.959 -12.612 1.00 0.00 C ATOM 1480 CG LYS A 101 5.577 -5.133 -12.804 1.00 0.00 C ATOM 1481 CD LYS A 101 5.588 -5.635 -14.273 1.00 0.00 C ATOM 1482 CE LYS A 101 4.501 -6.714 -14.394 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.353 -7.148 -15.813 1.00 0.00 N ATOM 0 H LYS A 101 7.468 -4.795 -10.407 1.00 0.00 H new ATOM 0 HA LYS A 101 8.354 -5.063 -13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.246 -3.371 -11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.505 -3.305 -13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.846 -5.950 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.570 -4.816 -12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.392 -4.813 -14.962 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.565 -6.043 -14.533 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.759 -7.570 -13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.552 -6.325 -14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.615 -7.877 -15.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.086 -6.332 -16.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.255 -7.538 -16.153 1.00 0.00 H new ATOM 1497 N ILE A 102 9.220 -2.560 -11.285 1.00 0.00 N ATOM 1498 CA ILE A 102 10.106 -1.328 -11.214 1.00 0.00 C ATOM 1499 C ILE A 102 11.603 -1.696 -11.030 1.00 0.00 C ATOM 1500 O ILE A 102 12.548 -0.924 -11.051 1.00 0.00 O ATOM 1501 CB ILE A 102 9.553 -0.418 -10.041 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.656 -1.101 -8.647 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.047 -0.128 -10.346 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.131 -0.159 -7.522 1.00 0.00 C ATOM 0 H ILE A 102 8.864 -2.882 -10.385 1.00 0.00 H new ATOM 0 HA ILE A 102 10.069 -0.779 -12.155 1.00 0.00 H new ATOM 0 HB ILE A 102 10.154 0.490 -9.998 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.081 -2.027 -8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.693 -1.370 -8.446 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.630 0.498 -9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.962 0.388 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.497 -1.068 -10.391 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.215 -0.661 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.724 0.756 -7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.087 0.089 -7.713 1.00 0.00 H new ATOM 1516 N ASP A 103 11.806 -2.962 -10.831 1.00 0.00 N ATOM 1517 CA ASP A 103 13.178 -3.511 -10.640 1.00 0.00 C ATOM 1518 C ASP A 103 13.504 -4.684 -11.600 1.00 0.00 C ATOM 1519 O ASP A 103 12.800 -5.669 -11.649 1.00 0.00 O ATOM 1520 CB ASP A 103 13.270 -3.930 -9.160 1.00 0.00 C ATOM 1521 CG ASP A 103 12.230 -5.003 -8.794 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.063 -4.748 -9.036 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.644 -6.028 -8.275 1.00 0.00 O ATOM 0 H ASP A 103 11.063 -3.659 -10.791 1.00 0.00 H new ATOM 0 HA ASP A 103 13.924 -2.755 -10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 103 14.270 -4.311 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.125 -3.055 -8.527 1.00 0.00 H new ATOM 1528 N THR A 104 14.574 -4.581 -12.350 1.00 0.00 N ATOM 1529 CA THR A 104 14.951 -5.692 -13.298 1.00 0.00 C ATOM 1530 C THR A 104 15.869 -6.656 -12.539 1.00 0.00 C ATOM 1531 O THR A 104 16.650 -7.393 -13.106 1.00 0.00 O ATOM 1532 CB THR A 104 15.706 -5.110 -14.494 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.680 -4.247 -13.931 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.843 -4.159 -15.291 1.00 0.00 C ATOM 0 H THR A 104 15.205 -3.780 -12.351 1.00 0.00 H new ATOM 0 HA THR A 104 14.061 -6.207 -13.659 1.00 0.00 H new ATOM 0 HB THR A 104 16.067 -5.929 -15.116 1.00 0.00 H new ATOM 0 HG1 THR A 104 17.207 -3.837 -14.648 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.415 -3.767 -16.132 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.966 -4.689 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.525 -3.335 -14.653 1.00 0.00 H new ATOM 1542 N ASN A 105 15.723 -6.602 -11.243 1.00 0.00 N ATOM 1543 CA ASN A 105 16.505 -7.440 -10.299 1.00 0.00 C ATOM 1544 C ASN A 105 15.803 -7.542 -8.913 1.00 0.00 C ATOM 1545 O ASN A 105 16.212 -6.873 -7.980 1.00 0.00 O ATOM 1546 CB ASN A 105 17.911 -6.779 -10.215 1.00 0.00 C ATOM 1547 CG ASN A 105 17.765 -5.331 -9.733 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.226 -4.461 -10.386 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.231 -4.999 -8.575 1.00 0.00 N ATOM 0 H ASN A 105 15.060 -5.979 -10.783 1.00 0.00 H new ATOM 0 HA ASN A 105 16.587 -8.471 -10.643 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.548 -7.339 -9.531 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.395 -6.802 -11.192 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.138 -4.039 -8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.692 -5.697 -7.991 1.00 0.00 H new ATOM 1556 N GLY A 106 14.776 -8.346 -8.779 1.00 0.00 N ATOM 1557 CA GLY A 106 14.078 -8.456 -7.439 1.00 0.00 C ATOM 1558 C GLY A 106 14.853 -9.256 -6.393 1.00 0.00 C ATOM 1559 O GLY A 106 14.305 -10.026 -5.629 1.00 0.00 O ATOM 0 H GLY A 106 14.388 -8.927 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.898 -7.453 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.103 -8.921 -7.587 1.00 0.00 H new ATOM 1563 N ILE A 107 16.138 -9.018 -6.395 1.00 0.00 N ATOM 1564 CA ILE A 107 17.102 -9.664 -5.470 1.00 0.00 C ATOM 1565 C ILE A 107 16.559 -9.505 -4.047 1.00 0.00 C ATOM 1566 O ILE A 107 16.661 -10.399 -3.240 1.00 0.00 O ATOM 1567 CB ILE A 107 18.500 -8.972 -5.595 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.019 -8.886 -7.063 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.527 -9.739 -4.748 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.135 -10.268 -7.747 1.00 0.00 C ATOM 0 H ILE A 107 16.577 -8.362 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 107 17.221 -10.720 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 107 18.376 -7.950 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.346 -8.255 -7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.995 -8.401 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.501 -9.258 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.212 -9.737 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.597 -10.767 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.501 -10.140 -8.766 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.830 -10.894 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.155 -10.746 -7.771 1.00 0.00 H new ATOM 1582 N GLY A 108 15.987 -8.356 -3.789 1.00 0.00 N ATOM 1583 CA GLY A 108 15.410 -8.052 -2.434 1.00 0.00 C ATOM 1584 C GLY A 108 14.265 -8.969 -1.998 1.00 0.00 C ATOM 1585 O GLY A 108 13.984 -9.006 -0.823 1.00 0.00 O ATOM 0 H GLY A 108 15.892 -7.601 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.208 -8.115 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.052 -7.022 -2.431 1.00 0.00 H new ATOM 1589 N TYR A 109 13.643 -9.664 -2.913 1.00 0.00 N ATOM 1590 CA TYR A 109 12.505 -10.600 -2.617 1.00 0.00 C ATOM 1591 C TYR A 109 12.410 -11.211 -1.184 1.00 0.00 C ATOM 1592 O TYR A 109 11.345 -11.189 -0.600 1.00 0.00 O ATOM 1593 CB TYR A 109 12.584 -11.697 -3.705 1.00 0.00 C ATOM 1594 CG TYR A 109 11.412 -12.675 -3.556 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.494 -13.720 -2.660 1.00 0.00 C ATOM 1596 CD2 TYR A 109 10.261 -12.522 -4.309 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.445 -14.603 -2.512 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.214 -13.414 -4.153 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.302 -14.452 -3.259 1.00 0.00 C ATOM 1600 OH TYR A 109 8.253 -15.332 -3.119 1.00 0.00 O ATOM 0 H TYR A 109 13.887 -9.621 -3.903 1.00 0.00 H new ATOM 0 HA TYR A 109 11.587 -10.013 -2.639 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.563 -11.240 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.529 -12.234 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.388 -13.848 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.180 -11.710 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.522 -15.417 -1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.317 -13.292 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 109 7.526 -15.074 -3.724 1.00 0.00 H new ATOM 1610 N GLN A 110 13.486 -11.746 -0.657 1.00 0.00 N ATOM 1611 CA GLN A 110 13.429 -12.344 0.725 1.00 0.00 C ATOM 1612 C GLN A 110 13.276 -11.190 1.772 1.00 0.00 C ATOM 1613 O GLN A 110 13.269 -10.023 1.430 1.00 0.00 O ATOM 1614 CB GLN A 110 14.766 -13.190 0.961 1.00 0.00 C ATOM 1615 CG GLN A 110 14.839 -14.448 0.002 1.00 0.00 C ATOM 1616 CD GLN A 110 16.104 -15.317 0.207 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.226 -16.105 1.120 1.00 0.00 O ATOM 1618 NE2 GLN A 110 17.096 -15.217 -0.622 1.00 0.00 N ATOM 0 H GLN A 110 14.396 -11.797 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 110 12.574 -13.011 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.634 -12.553 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 110 14.809 -13.520 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.955 -15.066 0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.808 -14.107 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.041 -14.568 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.931 -15.788 -0.489 1.00 0.00 H new ATOM 1627 N GLN A 111 13.138 -11.521 3.032 1.00 0.00 N ATOM 1628 CA GLN A 111 12.990 -10.464 4.097 1.00 0.00 C ATOM 1629 C GLN A 111 14.073 -9.368 3.910 1.00 0.00 C ATOM 1630 O GLN A 111 15.254 -9.653 3.954 1.00 0.00 O ATOM 1631 CB GLN A 111 13.114 -11.170 5.466 1.00 0.00 C ATOM 1632 CG GLN A 111 11.824 -12.020 5.704 1.00 0.00 C ATOM 1633 CD GLN A 111 11.936 -12.911 6.948 1.00 0.00 C ATOM 1634 OE1 GLN A 111 12.145 -12.470 8.054 1.00 0.00 O ATOM 1635 NE2 GLN A 111 11.804 -14.192 6.830 1.00 0.00 N ATOM 0 H GLN A 111 13.121 -12.481 3.377 1.00 0.00 H new ATOM 0 HA GLN A 111 12.023 -9.965 4.032 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.997 -11.809 5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.236 -10.435 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 111 10.968 -11.354 5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.635 -12.643 4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.627 -14.604 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.877 -14.790 7.653 1.00 0.00 H new ATOM 1644 N GLY A 112 13.639 -8.153 3.726 1.00 0.00 N ATOM 1645 CA GLY A 112 14.594 -7.007 3.522 1.00 0.00 C ATOM 1646 C GLY A 112 14.025 -6.058 2.476 1.00 0.00 C ATOM 1647 O GLY A 112 14.358 -6.123 1.311 1.00 0.00 O ATOM 0 H GLY A 112 12.653 -7.893 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 112 14.752 -6.478 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 112 15.566 -7.381 3.200 1.00 0.00 H new ATOM 1651 N HIS A 113 13.151 -5.232 2.989 1.00 0.00 N ATOM 1652 CA HIS A 113 12.434 -4.180 2.173 1.00 0.00 C ATOM 1653 C HIS A 113 13.336 -3.462 1.136 1.00 0.00 C ATOM 1654 O HIS A 113 14.526 -3.296 1.309 1.00 0.00 O ATOM 1655 CB HIS A 113 11.804 -3.122 3.167 1.00 0.00 C ATOM 1656 CG HIS A 113 12.118 -3.499 4.597 1.00 0.00 C ATOM 1657 ND1 HIS A 113 11.506 -4.456 5.189 1.00 0.00 N ATOM 1658 CD2 HIS A 113 13.024 -3.032 5.522 1.00 0.00 C ATOM 1659 CE1 HIS A 113 11.980 -4.592 6.383 1.00 0.00 C ATOM 1660 NE2 HIS A 113 12.927 -3.726 6.636 1.00 0.00 N ATOM 0 H HIS A 113 12.889 -5.236 3.975 1.00 0.00 H new ATOM 0 HA HIS A 113 11.666 -4.689 1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.197 -2.129 2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.724 -3.075 3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.713 -2.216 5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 113 11.635 -5.333 7.089 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.465 -3.615 7.496 1.00 0.00 H new ATOM 1668 N LEU A 114 12.723 -3.029 0.077 1.00 0.00 N ATOM 1669 CA LEU A 114 13.474 -2.333 -1.002 1.00 0.00 C ATOM 1670 C LEU A 114 13.378 -0.812 -0.791 1.00 0.00 C ATOM 1671 O LEU A 114 12.606 -0.342 0.024 1.00 0.00 O ATOM 1672 CB LEU A 114 12.825 -2.862 -2.319 1.00 0.00 C ATOM 1673 CG LEU A 114 13.386 -2.263 -3.629 1.00 0.00 C ATOM 1674 CD1 LEU A 114 14.887 -2.601 -3.781 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.648 -2.949 -4.803 1.00 0.00 C ATOM 0 H LEU A 114 11.722 -3.128 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 114 14.546 -2.531 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.948 -3.944 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.754 -2.664 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 114 13.251 -1.181 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.265 -2.171 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.440 -2.187 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.016 -3.683 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.018 -2.551 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.827 -4.024 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.578 -2.756 -4.722 1.00 0.00 H new ATOM 1687 N ASN A 115 14.179 -0.106 -1.542 1.00 0.00 N ATOM 1688 CA ASN A 115 14.236 1.387 -1.482 1.00 0.00 C ATOM 1689 C ASN A 115 13.671 1.956 -2.816 1.00 0.00 C ATOM 1690 O ASN A 115 14.270 1.819 -3.870 1.00 0.00 O ATOM 1691 CB ASN A 115 15.723 1.753 -1.258 1.00 0.00 C ATOM 1692 CG ASN A 115 15.861 3.224 -0.929 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.980 3.629 0.204 1.00 0.00 O ATOM 1694 ND2 ASN A 115 15.833 4.074 -1.898 1.00 0.00 N ATOM 0 H ASN A 115 14.820 -0.517 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 115 13.637 1.811 -0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.134 1.152 -0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.301 1.518 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.911 5.072 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.733 3.748 -2.859 1.00 0.00 H new ATOM 1701 N VAL A 116 12.516 2.569 -2.714 1.00 0.00 N ATOM 1702 CA VAL A 116 11.838 3.175 -3.921 1.00 0.00 C ATOM 1703 C VAL A 116 11.364 4.636 -3.686 1.00 0.00 C ATOM 1704 O VAL A 116 11.376 5.116 -2.565 1.00 0.00 O ATOM 1705 CB VAL A 116 10.619 2.274 -4.293 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.053 0.790 -4.349 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.503 2.415 -3.220 1.00 0.00 C ATOM 0 H VAL A 116 12.003 2.680 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 116 12.565 3.218 -4.732 1.00 0.00 H new ATOM 0 HB VAL A 116 10.244 2.592 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.195 0.170 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.832 0.667 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.438 0.487 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.657 1.782 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.891 2.108 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.177 3.454 -3.168 1.00 0.00 H new ATOM 1717 N ASN A 117 10.965 5.285 -4.759 1.00 0.00 N ATOM 1718 CA ASN A 117 10.465 6.719 -4.685 1.00 0.00 C ATOM 1719 C ASN A 117 8.996 6.823 -5.100 1.00 0.00 C ATOM 1720 O ASN A 117 8.612 6.133 -6.031 1.00 0.00 O ATOM 1721 CB ASN A 117 11.222 7.632 -5.647 1.00 0.00 C ATOM 1722 CG ASN A 117 12.674 7.551 -5.346 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.180 8.159 -4.444 1.00 0.00 O ATOM 1724 ND2 ASN A 117 13.408 6.796 -6.072 1.00 0.00 N ATOM 0 H ASN A 117 10.961 4.885 -5.697 1.00 0.00 H new ATOM 0 HA ASN A 117 10.613 7.022 -3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.034 7.332 -6.678 1.00 0.00 H new ATOM 0 HB3 ASN A 117 10.873 8.659 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.407 6.718 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.995 6.272 -6.843 1.00 0.00 H new ATOM 1731 N TYR A 118 8.251 7.670 -4.427 1.00 0.00 N ATOM 1732 CA TYR A 118 6.820 7.800 -4.806 1.00 0.00 C ATOM 1733 C TYR A 118 6.280 9.248 -4.699 1.00 0.00 C ATOM 1734 O TYR A 118 6.487 10.015 -3.772 1.00 0.00 O ATOM 1735 CB TYR A 118 6.027 6.817 -3.912 1.00 0.00 C ATOM 1736 CG TYR A 118 5.795 7.314 -2.479 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.872 8.309 -2.184 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.524 6.751 -1.455 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.699 8.716 -0.872 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.344 7.169 -0.149 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.430 8.155 0.151 1.00 0.00 C ATOM 1742 OH TYR A 118 5.241 8.599 1.444 1.00 0.00 O ATOM 0 H TYR A 118 8.566 8.258 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 118 6.701 7.552 -5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.061 6.620 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.561 5.868 -3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.292 8.763 -2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.243 5.976 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 118 3.978 9.488 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.925 6.719 0.642 1.00 0.00 H new ATOM 0 HH TYR A 118 6.109 8.683 1.891 1.00 0.00 H new ATOM 1752 N GLN A 119 5.578 9.580 -5.736 1.00 0.00 N ATOM 1753 CA GLN A 119 4.961 10.936 -5.841 1.00 0.00 C ATOM 1754 C GLN A 119 3.465 10.816 -6.200 1.00 0.00 C ATOM 1755 O GLN A 119 3.070 9.894 -6.893 1.00 0.00 O ATOM 1756 CB GLN A 119 5.731 11.765 -6.944 1.00 0.00 C ATOM 1757 CG GLN A 119 6.947 11.010 -7.596 1.00 0.00 C ATOM 1758 CD GLN A 119 8.169 10.865 -6.669 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.062 10.107 -6.972 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.308 11.522 -5.566 1.00 0.00 N ATOM 0 H GLN A 119 5.399 8.966 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 119 5.038 11.450 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.028 12.042 -7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.092 12.692 -6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 119 6.620 10.017 -7.906 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.250 11.542 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.583 12.174 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.143 11.389 -4.995 1.00 0.00 H new ATOM 1769 N PHE A 120 2.667 11.744 -5.741 1.00 0.00 N ATOM 1770 CA PHE A 120 1.206 11.656 -6.083 1.00 0.00 C ATOM 1771 C PHE A 120 1.058 12.254 -7.492 1.00 0.00 C ATOM 1772 O PHE A 120 1.501 13.355 -7.774 1.00 0.00 O ATOM 1773 CB PHE A 120 0.329 12.471 -5.091 1.00 0.00 C ATOM 1774 CG PHE A 120 0.049 11.728 -3.760 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.030 11.061 -3.042 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.242 11.737 -3.254 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.718 10.424 -1.851 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.553 11.103 -2.067 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.573 10.444 -1.361 1.00 0.00 C ATOM 0 H PHE A 120 2.945 12.537 -5.162 1.00 0.00 H new ATOM 0 HA PHE A 120 0.873 10.619 -6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.825 13.417 -4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.620 12.712 -5.570 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.044 11.038 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.020 12.250 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.491 9.908 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.566 11.125 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.811 9.947 -0.432 1.00 0.00 H new ATOM 1789 N VAL A 121 0.443 11.449 -8.303 1.00 0.00 N ATOM 1790 CA VAL A 121 0.156 11.763 -9.734 1.00 0.00 C ATOM 1791 C VAL A 121 -1.273 11.325 -10.121 1.00 0.00 C ATOM 1792 O VAL A 121 -2.032 10.731 -9.372 1.00 0.00 O ATOM 1793 CB VAL A 121 1.259 11.027 -10.556 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.732 10.003 -11.580 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.239 11.984 -11.262 1.00 0.00 C ATOM 0 H VAL A 121 0.106 10.530 -8.017 1.00 0.00 H new ATOM 0 HA VAL A 121 0.185 12.834 -9.935 1.00 0.00 H new ATOM 0 HB VAL A 121 1.794 10.473 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.572 9.544 -12.101 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.161 9.232 -11.063 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.089 10.508 -12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.979 11.405 -11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.689 12.623 -11.953 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.743 12.602 -10.519 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.561 11.684 -11.331 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.886 11.369 -11.937 1.00 0.00 C ATOM 1807 C ASP A 122 -2.881 10.005 -12.664 1.00 0.00 C ATOM 1808 O ASP A 122 -1.844 9.545 -13.106 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.171 12.632 -12.788 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.172 13.811 -11.792 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.643 13.622 -10.679 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -2.705 14.865 -12.168 1.00 0.00 O ATOM 0 H ASP A 122 -0.924 12.194 -11.944 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.701 11.203 -11.232 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.409 12.768 -13.556 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.129 12.551 -13.301 1.00 0.00 H new ATOM 1817 N CYS A 123 -4.018 9.377 -12.808 1.00 0.00 N ATOM 1818 CA CYS A 123 -4.027 8.053 -13.494 1.00 0.00 C ATOM 1819 C CYS A 123 -3.974 8.146 -15.003 1.00 0.00 C ATOM 1820 O CYS A 123 -3.467 7.251 -15.644 1.00 0.00 O ATOM 1821 CB CYS A 123 -5.263 7.326 -12.996 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.317 7.191 -11.196 1.00 0.00 S ATOM 0 H CYS A 123 -4.925 9.716 -12.487 1.00 0.00 H new ATOM 0 HA CYS A 123 -3.120 7.501 -13.248 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -6.153 7.851 -13.343 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.292 6.327 -13.432 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.499 9.233 -15.498 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.553 9.524 -16.975 1.00 0.00 C ATOM 1829 C ARG A 124 -4.664 8.289 -17.889 1.00 0.00 C ATOM 1830 O ARG A 124 -3.827 8.040 -18.742 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.283 10.358 -17.368 1.00 0.00 C ATOM 1832 CG ARG A 124 -1.950 9.629 -16.971 1.00 0.00 C ATOM 1833 CD ARG A 124 -0.772 10.317 -17.677 1.00 0.00 C ATOM 1834 NE ARG A 124 -0.902 10.018 -19.150 1.00 0.00 N ATOM 1835 CZ ARG A 124 0.088 10.154 -19.953 1.00 0.00 C ATOM 1836 NH1 ARG A 124 0.447 11.337 -20.249 1.00 0.00 N ATOM 1837 NH2 ARG A 124 0.661 9.117 -20.412 1.00 0.00 N ATOM 0 H ARG A 124 -4.912 9.966 -14.921 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.477 10.078 -17.139 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.289 10.542 -18.442 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.323 11.331 -16.878 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -1.811 9.661 -15.890 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -1.997 8.578 -17.255 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.791 11.392 -17.499 1.00 0.00 H new ATOM 0 HD3 ARG A 124 0.178 9.947 -17.291 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.799 9.700 -19.516 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -0.048 12.135 -19.851 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.230 11.488 -20.885 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.332 8.190 -20.141 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.450 9.211 -21.052 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.722 7.580 -17.645 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.039 6.342 -18.408 1.00 0.00 C ATOM 1853 C ASP A 125 -6.897 6.844 -19.614 1.00 0.00 C ATOM 1854 O ASP A 125 -6.444 6.720 -20.746 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.795 5.436 -17.409 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.862 3.986 -17.837 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -5.871 3.317 -17.586 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.883 3.587 -18.362 1.00 0.00 O ATOM 1859 OXT ASP A 125 -7.975 7.343 -19.324 1.00 0.00 O ATOM 0 H ASP A 125 -6.405 7.813 -16.924 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.201 5.766 -18.801 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.308 5.497 -16.436 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.809 5.816 -17.282 1.00 0.00 H new