USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1099 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 54 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 138:sc= -0.934 (180deg=-0.0232) USER MOD Set 1.3: A 95 HIS : no HD1:sc= -0.85 K(o=-1.8,f=-3.1) USER MOD Set 2.1: A 18 TYR OH : rot 10:sc= 0.421 USER MOD Set 2.2: A 133 LYS NZ :NH3+ -150:sc= 0.0606 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0235 (180deg=-0.203) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-3.7) USER MOD Single : A 28 ASN : amide:sc= -2.92 K(o=-2.9,f=-5!) USER MOD Single : A 33 MET CE :methyl 134:sc= -1.34 (180deg=-6.44!) USER MOD Single : A 37 MET CE :methyl -141:sc= -3 (180deg=-6.4!) USER MOD Single : A 38 THR OG1 : rot 95:sc= 0.813 USER MOD Single : A 40 THR OG1 : rot 102:sc= 0.142 USER MOD Single : A 41 SER OG : rot 59:sc= 0.465 USER MOD Single : A 55 SER OG : rot -70:sc= -2.91 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 72:sc= 1.15 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.57 F(o=-2.2,f=-0.57) USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.361 USER MOD Single : A 81 SER OG : rot 180:sc= -0.139 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -130:sc= -2.04! USER MOD Single : A 99 THR OG1 : rot -150:sc= -0.729 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HE2:sc= -14! C(o=-14!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 122 MET CE :methyl 157:sc= -2.25! (180deg=-2.55!) USER MOD Single : A 123 MET CE :methyl -161:sc= -3.01! (180deg=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.465 3.564 18.238 1.00 0.00 N ATOM 2 CA MET A 1 -3.116 2.966 18.067 1.00 0.00 C ATOM 3 C MET A 1 -3.027 2.161 16.775 1.00 0.00 C ATOM 4 O MET A 1 -1.972 2.090 16.146 1.00 0.00 O ATOM 5 CB MET A 1 -2.825 2.067 19.270 1.00 0.00 C ATOM 6 CG MET A 1 -2.086 2.775 20.394 1.00 0.00 C ATOM 7 SD MET A 1 -2.511 2.127 22.023 1.00 0.00 S ATOM 8 CE MET A 1 -1.431 0.702 22.113 1.00 0.00 C ATOM 0 H1 MET A 1 -4.440 4.264 19.007 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.752 4.031 17.354 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.149 2.816 18.472 1.00 0.00 H new ATOM 0 HA MET A 1 -2.377 3.765 18.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.766 1.674 19.656 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.234 1.212 18.940 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.012 2.675 20.237 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.316 3.840 20.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.577 0.194 23.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.663 0.017 21.297 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.394 1.026 22.030 1.00 0.00 H new ATOM 20 N LYS A 2 -4.145 1.556 16.384 1.00 0.00 N ATOM 21 CA LYS A 2 -4.194 0.757 15.165 1.00 0.00 C ATOM 22 C LYS A 2 -3.978 1.629 13.935 1.00 0.00 C ATOM 23 O LYS A 2 -3.143 1.325 13.083 1.00 0.00 O ATOM 24 CB LYS A 2 -5.537 0.030 15.061 1.00 0.00 C ATOM 25 CG LYS A 2 -5.882 -0.789 16.295 1.00 0.00 C ATOM 26 CD LYS A 2 -4.920 -1.952 16.480 1.00 0.00 C ATOM 27 CE LYS A 2 -4.478 -2.086 17.928 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.513 -2.755 18.764 1.00 0.00 N ATOM 0 H LYS A 2 -5.028 1.604 16.893 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.392 0.020 15.210 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.325 0.763 14.889 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -5.519 -0.628 14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.854 -0.149 17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.900 -1.168 16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.399 -2.876 16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.047 -1.808 15.844 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.550 -2.656 17.973 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.265 -1.098 18.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.174 -2.827 19.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.391 -2.198 18.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.698 -3.708 18.391 1.00 0.00 H new ATOM 42 N GLY A 3 -4.736 2.714 13.852 1.00 0.00 N ATOM 43 CA GLY A 3 -4.617 3.620 12.726 1.00 0.00 C ATOM 44 C GLY A 3 -5.180 3.044 11.439 1.00 0.00 C ATOM 45 O GLY A 3 -5.019 3.630 10.370 1.00 0.00 O ATOM 0 H GLY A 3 -5.433 2.984 14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.136 4.550 12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.566 3.869 12.577 1.00 0.00 H new ATOM 49 N PHE A 4 -5.845 1.895 11.539 1.00 0.00 N ATOM 50 CA PHE A 4 -6.432 1.253 10.370 1.00 0.00 C ATOM 51 C PHE A 4 -7.785 0.624 10.713 1.00 0.00 C ATOM 52 O PHE A 4 -7.951 0.029 11.779 1.00 0.00 O ATOM 53 CB PHE A 4 -5.463 0.202 9.811 1.00 0.00 C ATOM 54 CG PHE A 4 -5.650 -1.180 10.378 1.00 0.00 C ATOM 55 CD1 PHE A 4 -5.309 -1.454 11.692 1.00 0.00 C ATOM 56 CD2 PHE A 4 -6.166 -2.200 9.595 1.00 0.00 C ATOM 57 CE1 PHE A 4 -5.477 -2.722 12.216 1.00 0.00 C ATOM 58 CE2 PHE A 4 -6.338 -3.471 10.114 1.00 0.00 C ATOM 59 CZ PHE A 4 -5.993 -3.732 11.426 1.00 0.00 C ATOM 0 H PHE A 4 -5.989 1.393 12.415 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.606 2.010 9.605 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.581 0.156 8.728 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.441 0.527 10.007 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.907 -0.668 12.314 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.437 -2.001 8.569 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.205 -2.923 13.242 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.741 -4.258 9.494 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.126 -4.723 11.834 1.00 0.00 H new ATOM 69 N GLU A 5 -8.748 0.758 9.804 1.00 0.00 N ATOM 70 CA GLU A 5 -10.085 0.202 10.007 1.00 0.00 C ATOM 71 C GLU A 5 -10.688 -0.233 8.677 1.00 0.00 C ATOM 72 O GLU A 5 -10.715 0.535 7.721 1.00 0.00 O ATOM 73 CB GLU A 5 -10.993 1.229 10.686 1.00 0.00 C ATOM 74 CG GLU A 5 -11.199 2.494 9.870 1.00 0.00 C ATOM 75 CD GLU A 5 -11.803 3.621 10.685 1.00 0.00 C ATOM 76 OE1 GLU A 5 -11.072 4.224 11.498 1.00 0.00 O ATOM 77 OE2 GLU A 5 -13.008 3.899 10.512 1.00 0.00 O ATOM 0 H GLU A 5 -8.628 1.248 8.917 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.000 -0.671 10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.963 0.771 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.566 1.496 11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.242 2.818 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.849 2.274 9.023 1.00 0.00 H new ATOM 84 N PHE A 6 -11.161 -1.472 8.611 1.00 0.00 N ATOM 85 CA PHE A 6 -11.742 -1.996 7.378 1.00 0.00 C ATOM 86 C PHE A 6 -13.243 -2.232 7.504 1.00 0.00 C ATOM 87 O PHE A 6 -13.744 -2.585 8.571 1.00 0.00 O ATOM 88 CB PHE A 6 -11.048 -3.298 6.982 1.00 0.00 C ATOM 89 CG PHE A 6 -10.980 -4.306 8.093 1.00 0.00 C ATOM 90 CD1 PHE A 6 -9.965 -4.252 9.034 1.00 0.00 C ATOM 91 CD2 PHE A 6 -11.931 -5.309 8.195 1.00 0.00 C ATOM 92 CE1 PHE A 6 -9.900 -5.179 10.057 1.00 0.00 C ATOM 93 CE2 PHE A 6 -11.872 -6.238 9.216 1.00 0.00 C ATOM 94 CZ PHE A 6 -10.855 -6.174 10.148 1.00 0.00 C ATOM 0 H PHE A 6 -11.155 -2.130 9.391 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.589 -1.244 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.575 -3.738 6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.036 -3.073 6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.216 -3.477 8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -12.728 -5.365 7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.104 -5.126 10.785 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.621 -7.013 9.285 1.00 0.00 H new ATOM 0 HZ PHE A 6 -10.806 -6.900 10.946 1.00 0.00 H new ATOM 104 N PHE A 7 -13.951 -2.049 6.390 1.00 0.00 N ATOM 105 CA PHE A 7 -15.394 -2.258 6.350 1.00 0.00 C ATOM 106 C PHE A 7 -15.711 -3.514 5.544 1.00 0.00 C ATOM 107 O PHE A 7 -14.922 -3.929 4.694 1.00 0.00 O ATOM 108 CB PHE A 7 -16.113 -1.041 5.749 1.00 0.00 C ATOM 109 CG PHE A 7 -15.271 -0.222 4.806 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.008 -0.672 3.523 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.752 1.001 5.204 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.241 0.080 2.653 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.984 1.760 4.337 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.729 1.299 3.060 1.00 0.00 C ATOM 0 H PHE A 7 -13.545 -1.755 5.501 1.00 0.00 H new ATOM 0 HA PHE A 7 -15.753 -2.387 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.001 -1.385 5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.455 -0.399 6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -15.407 -1.622 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -14.949 1.366 6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.042 -0.284 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.585 2.711 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.131 1.889 2.381 1.00 0.00 H new ATOM 124 N ASP A 8 -16.850 -4.136 5.831 1.00 0.00 N ATOM 125 CA ASP A 8 -17.236 -5.366 5.145 1.00 0.00 C ATOM 126 C ASP A 8 -18.052 -5.103 3.883 1.00 0.00 C ATOM 127 O ASP A 8 -19.251 -4.829 3.948 1.00 0.00 O ATOM 128 CB ASP A 8 -18.028 -6.270 6.087 1.00 0.00 C ATOM 129 CG ASP A 8 -19.170 -5.542 6.768 1.00 0.00 C ATOM 130 OD1 ASP A 8 -18.904 -4.772 7.715 1.00 0.00 O ATOM 131 OD2 ASP A 8 -20.332 -5.743 6.354 1.00 0.00 O ATOM 0 H ASP A 8 -17.519 -3.812 6.529 1.00 0.00 H new ATOM 0 HA ASP A 8 -16.313 -5.860 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.424 -7.116 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.358 -6.676 6.844 1.00 0.00 H new ATOM 136 N VAL A 9 -17.395 -5.225 2.734 1.00 0.00 N ATOM 137 CA VAL A 9 -18.051 -5.043 1.443 1.00 0.00 C ATOM 138 C VAL A 9 -18.240 -6.388 0.763 1.00 0.00 C ATOM 139 O VAL A 9 -17.444 -7.309 0.954 1.00 0.00 O ATOM 140 CB VAL A 9 -17.252 -4.104 0.498 1.00 0.00 C ATOM 141 CG1 VAL A 9 -17.334 -4.546 -0.956 1.00 0.00 C ATOM 142 CG2 VAL A 9 -17.766 -2.698 0.585 1.00 0.00 C ATOM 0 H VAL A 9 -16.402 -5.451 2.671 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.016 -4.576 1.640 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.214 -4.153 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -16.760 -3.859 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.926 -5.552 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -18.375 -4.544 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.192 -2.058 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.817 -2.676 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.664 -2.336 1.608 1.00 0.00 H new ATOM 152 N THR A 10 -19.274 -6.490 -0.054 1.00 0.00 N ATOM 153 CA THR A 10 -19.532 -7.716 -0.783 1.00 0.00 C ATOM 154 C THR A 10 -18.915 -7.626 -2.176 1.00 0.00 C ATOM 155 O THR A 10 -19.368 -6.830 -2.998 1.00 0.00 O ATOM 156 CB THR A 10 -21.036 -7.969 -0.881 1.00 0.00 C ATOM 157 OG1 THR A 10 -21.596 -8.165 0.405 1.00 0.00 O ATOM 158 CG2 THR A 10 -21.391 -9.174 -1.725 1.00 0.00 C ATOM 0 H THR A 10 -19.945 -5.741 -0.228 1.00 0.00 H new ATOM 0 HA THR A 10 -19.078 -8.550 -0.248 1.00 0.00 H new ATOM 0 HB THR A 10 -21.445 -7.080 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 10 -22.559 -8.324 0.322 1.00 0.00 H new ATOM 0 HG21 THR A 10 -22.474 -9.294 -1.751 1.00 0.00 H new ATOM 0 HG22 THR A 10 -21.017 -9.031 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 10 -20.937 -10.067 -1.294 1.00 0.00 H new ATOM 166 N ALA A 11 -17.857 -8.418 -2.425 1.00 0.00 N ATOM 167 CA ALA A 11 -17.143 -8.412 -3.702 1.00 0.00 C ATOM 168 C ALA A 11 -15.806 -7.726 -3.510 1.00 0.00 C ATOM 169 O ALA A 11 -14.770 -8.205 -3.951 1.00 0.00 O ATOM 170 CB ALA A 11 -17.938 -7.714 -4.800 1.00 0.00 C ATOM 0 H ALA A 11 -17.478 -9.077 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.999 -9.444 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.369 -7.734 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -18.888 -8.229 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.126 -6.680 -4.512 1.00 0.00 H new ATOM 176 N ASP A 12 -15.848 -6.595 -2.834 1.00 0.00 N ATOM 177 CA ASP A 12 -14.648 -5.820 -2.560 1.00 0.00 C ATOM 178 C ASP A 12 -14.468 -5.587 -1.063 1.00 0.00 C ATOM 179 O ASP A 12 -15.366 -5.840 -0.266 1.00 0.00 O ATOM 180 CB ASP A 12 -14.684 -4.467 -3.282 1.00 0.00 C ATOM 181 CG ASP A 12 -16.037 -4.144 -3.890 1.00 0.00 C ATOM 182 OD1 ASP A 12 -16.481 -4.895 -4.784 1.00 0.00 O ATOM 183 OD2 ASP A 12 -16.651 -3.140 -3.473 1.00 0.00 O ATOM 0 H ASP A 12 -16.705 -6.188 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.804 -6.400 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.413 -3.680 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.930 -4.463 -4.069 1.00 0.00 H new ATOM 188 N ALA A 13 -13.300 -5.095 -0.689 1.00 0.00 N ATOM 189 CA ALA A 13 -13.010 -4.797 0.705 1.00 0.00 C ATOM 190 C ALA A 13 -12.068 -3.604 0.811 1.00 0.00 C ATOM 191 O ALA A 13 -10.956 -3.642 0.287 1.00 0.00 O ATOM 192 CB ALA A 13 -12.414 -6.010 1.389 1.00 0.00 C ATOM 0 H ALA A 13 -12.534 -4.893 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.943 -4.541 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.202 -5.772 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.121 -6.838 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.489 -6.294 0.886 1.00 0.00 H new ATOM 198 N GLY A 14 -12.507 -2.549 1.494 1.00 0.00 N ATOM 199 CA GLY A 14 -11.672 -1.373 1.643 1.00 0.00 C ATOM 200 C GLY A 14 -11.297 -1.099 3.071 1.00 0.00 C ATOM 201 O GLY A 14 -12.127 -1.175 3.977 1.00 0.00 O ATOM 0 H GLY A 14 -13.421 -2.489 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.765 -1.501 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.197 -0.508 1.238 1.00 0.00 H new ATOM 205 N PHE A 15 -10.031 -0.778 3.263 1.00 0.00 N ATOM 206 CA PHE A 15 -9.506 -0.485 4.579 1.00 0.00 C ATOM 207 C PHE A 15 -9.266 1.007 4.715 1.00 0.00 C ATOM 208 O PHE A 15 -9.057 1.707 3.725 1.00 0.00 O ATOM 209 CB PHE A 15 -8.200 -1.250 4.817 1.00 0.00 C ATOM 210 CG PHE A 15 -8.150 -2.593 4.139 1.00 0.00 C ATOM 211 CD1 PHE A 15 -7.959 -2.686 2.769 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.300 -3.761 4.870 1.00 0.00 C ATOM 213 CE1 PHE A 15 -7.918 -3.916 2.143 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.261 -4.994 4.248 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.070 -5.073 2.883 1.00 0.00 C ATOM 0 H PHE A 15 -9.342 -0.714 2.513 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.234 -0.801 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.365 -0.644 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.062 -1.389 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.841 -1.786 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.449 -3.707 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.767 -3.974 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.380 -5.896 4.830 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.039 -6.036 2.395 1.00 0.00 H new ATOM 225 N TRP A 16 -9.291 1.487 5.943 1.00 0.00 N ATOM 226 CA TRP A 16 -9.068 2.894 6.208 1.00 0.00 C ATOM 227 C TRP A 16 -7.742 3.066 6.919 1.00 0.00 C ATOM 228 O TRP A 16 -7.457 2.375 7.891 1.00 0.00 O ATOM 229 CB TRP A 16 -10.204 3.470 7.058 1.00 0.00 C ATOM 230 CG TRP A 16 -11.039 4.481 6.331 1.00 0.00 C ATOM 231 CD1 TRP A 16 -11.705 4.301 5.154 1.00 0.00 C ATOM 232 CD2 TRP A 16 -11.296 5.831 6.737 1.00 0.00 C ATOM 233 NE1 TRP A 16 -12.361 5.456 4.803 1.00 0.00 N ATOM 234 CE2 TRP A 16 -12.126 6.410 5.760 1.00 0.00 C ATOM 235 CE3 TRP A 16 -10.905 6.605 7.834 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -12.571 7.726 5.845 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -11.348 7.912 7.918 1.00 0.00 C ATOM 238 CH2 TRP A 16 -12.175 8.460 6.929 1.00 0.00 C ATOM 0 H TRP A 16 -9.464 0.922 6.774 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.045 3.435 5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -10.845 2.655 7.395 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.782 3.933 7.950 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -11.715 3.385 4.582 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -12.930 5.583 3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.269 6.190 8.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -13.206 8.152 5.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -11.052 8.520 8.760 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.507 9.483 7.024 1.00 0.00 H new ATOM 249 N ALA A 17 -6.933 3.984 6.424 1.00 0.00 N ATOM 250 CA ALA A 17 -5.630 4.239 7.010 1.00 0.00 C ATOM 251 C ALA A 17 -5.543 5.654 7.492 1.00 0.00 C ATOM 252 O ALA A 17 -6.211 6.548 6.982 1.00 0.00 O ATOM 253 CB ALA A 17 -4.521 3.934 6.015 1.00 0.00 C ATOM 0 H ALA A 17 -7.155 4.566 5.617 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.501 3.577 7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.554 4.133 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.574 2.886 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.639 4.565 5.134 1.00 0.00 H new ATOM 259 N TYR A 18 -4.743 5.826 8.515 1.00 0.00 N ATOM 260 CA TYR A 18 -4.576 7.111 9.138 1.00 0.00 C ATOM 261 C TYR A 18 -3.174 7.653 8.917 1.00 0.00 C ATOM 262 O TYR A 18 -2.248 6.910 8.593 1.00 0.00 O ATOM 263 CB TYR A 18 -4.856 6.956 10.618 1.00 0.00 C ATOM 264 CG TYR A 18 -6.320 7.009 10.976 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.149 5.927 10.715 1.00 0.00 C ATOM 266 CD2 TYR A 18 -6.873 8.132 11.578 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.487 5.960 11.042 1.00 0.00 C ATOM 268 CE2 TYR A 18 -8.214 8.174 11.908 1.00 0.00 C ATOM 269 CZ TYR A 18 -9.018 7.085 11.638 1.00 0.00 C ATOM 270 OH TYR A 18 -10.354 7.121 11.966 1.00 0.00 O ATOM 0 H TYR A 18 -4.191 5.079 8.937 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.270 7.824 8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.444 6.006 10.957 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.331 7.743 11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.738 5.044 10.248 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.246 8.985 11.791 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.118 5.109 10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -8.631 9.054 12.375 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.741 6.227 11.859 1.00 0.00 H new ATOM 280 N GLY A 19 -3.038 8.961 9.065 1.00 0.00 N ATOM 281 CA GLY A 19 -1.763 9.601 8.850 1.00 0.00 C ATOM 282 C GLY A 19 -1.137 10.160 10.083 1.00 0.00 C ATOM 283 O GLY A 19 -1.325 9.676 11.199 1.00 0.00 O ATOM 0 H GLY A 19 -3.794 9.592 9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.078 8.879 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.892 10.406 8.126 1.00 0.00 H new ATOM 287 N HIS A 20 -0.350 11.173 9.829 1.00 0.00 N ATOM 288 CA HIS A 20 0.405 11.861 10.828 1.00 0.00 C ATOM 289 C HIS A 20 1.192 12.991 10.173 1.00 0.00 C ATOM 290 O HIS A 20 1.469 14.018 10.792 1.00 0.00 O ATOM 291 CB HIS A 20 1.313 10.843 11.493 1.00 0.00 C ATOM 292 CG HIS A 20 2.783 11.109 11.357 1.00 0.00 C ATOM 293 ND1 HIS A 20 3.628 10.260 10.675 1.00 0.00 N ATOM 294 CD2 HIS A 20 3.553 12.136 11.790 1.00 0.00 C ATOM 295 CE1 HIS A 20 4.850 10.748 10.691 1.00 0.00 C ATOM 296 NE2 HIS A 20 4.836 11.887 11.362 1.00 0.00 N ATOM 0 H HIS A 20 -0.217 11.549 8.890 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.237 12.312 11.585 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.065 10.798 12.554 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.098 9.860 11.073 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.222 12.989 12.363 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.717 10.295 10.234 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.645 12.484 11.534 1.00 0.00 H new ATOM 305 N ASP A 21 1.534 12.786 8.901 1.00 0.00 N ATOM 306 CA ASP A 21 2.273 13.779 8.133 1.00 0.00 C ATOM 307 C ASP A 21 2.003 13.605 6.644 1.00 0.00 C ATOM 308 O ASP A 21 2.858 13.891 5.807 1.00 0.00 O ATOM 309 CB ASP A 21 3.767 13.657 8.411 1.00 0.00 C ATOM 310 CG ASP A 21 4.511 14.957 8.173 1.00 0.00 C ATOM 311 OD1 ASP A 21 3.988 15.810 7.424 1.00 0.00 O ATOM 312 OD2 ASP A 21 5.613 15.122 8.735 1.00 0.00 O ATOM 0 H ASP A 21 1.309 11.937 8.382 1.00 0.00 H new ATOM 0 HA ASP A 21 1.938 14.771 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.916 13.341 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.189 12.879 7.775 1.00 0.00 H new ATOM 317 N LEU A 22 0.807 13.115 6.326 1.00 0.00 N ATOM 318 CA LEU A 22 0.401 12.875 4.942 1.00 0.00 C ATOM 319 C LEU A 22 1.055 11.608 4.421 1.00 0.00 C ATOM 320 O LEU A 22 0.375 10.676 3.999 1.00 0.00 O ATOM 321 CB LEU A 22 0.749 14.070 4.044 1.00 0.00 C ATOM 322 CG LEU A 22 -0.440 14.724 3.332 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.326 13.674 2.674 1.00 0.00 C ATOM 324 CD2 LEU A 22 -1.243 15.570 4.311 1.00 0.00 C ATOM 0 H LEU A 22 0.095 12.874 7.016 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.682 12.750 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.248 14.826 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.466 13.741 3.291 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.053 15.375 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.162 14.164 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.744 13.115 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.706 12.991 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.084 16.028 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.615 14.938 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.605 16.350 4.726 1.00 0.00 H new ATOM 336 N GLU A 23 2.376 11.563 4.474 1.00 0.00 N ATOM 337 CA GLU A 23 3.102 10.386 4.029 1.00 0.00 C ATOM 338 C GLU A 23 2.632 9.172 4.821 1.00 0.00 C ATOM 339 O GLU A 23 2.591 8.056 4.313 1.00 0.00 O ATOM 340 CB GLU A 23 4.611 10.581 4.219 1.00 0.00 C ATOM 341 CG GLU A 23 5.097 11.988 3.907 1.00 0.00 C ATOM 342 CD GLU A 23 5.506 12.754 5.151 1.00 0.00 C ATOM 343 OE1 GLU A 23 6.063 12.128 6.078 1.00 0.00 O ATOM 344 OE2 GLU A 23 5.271 13.979 5.197 1.00 0.00 O ATOM 0 H GLU A 23 2.964 12.322 4.818 1.00 0.00 H new ATOM 0 HA GLU A 23 2.906 10.229 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.872 10.338 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.142 9.874 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.945 11.932 3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.308 12.535 3.391 1.00 0.00 H new ATOM 351 N GLU A 24 2.282 9.411 6.080 1.00 0.00 N ATOM 352 CA GLU A 24 1.824 8.353 6.968 1.00 0.00 C ATOM 353 C GLU A 24 0.642 7.564 6.392 1.00 0.00 C ATOM 354 O GLU A 24 0.641 6.334 6.436 1.00 0.00 O ATOM 355 CB GLU A 24 1.439 8.937 8.325 1.00 0.00 C ATOM 356 CG GLU A 24 1.044 7.878 9.344 1.00 0.00 C ATOM 357 CD GLU A 24 2.244 7.206 9.979 1.00 0.00 C ATOM 358 OE1 GLU A 24 2.898 6.388 9.297 1.00 0.00 O ATOM 359 OE2 GLU A 24 2.532 7.497 11.160 1.00 0.00 O ATOM 0 H GLU A 24 2.308 10.336 6.509 1.00 0.00 H new ATOM 0 HA GLU A 24 2.654 7.656 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.277 9.513 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.609 9.631 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.435 8.337 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.425 7.124 8.858 1.00 0.00 H new ATOM 366 N VAL A 25 -0.372 8.261 5.876 1.00 0.00 N ATOM 367 CA VAL A 25 -1.555 7.579 5.332 1.00 0.00 C ATOM 368 C VAL A 25 -1.227 6.710 4.119 1.00 0.00 C ATOM 369 O VAL A 25 -1.702 5.580 4.012 1.00 0.00 O ATOM 370 CB VAL A 25 -2.684 8.559 4.931 1.00 0.00 C ATOM 371 CG1 VAL A 25 -3.576 8.875 6.117 1.00 0.00 C ATOM 372 CG2 VAL A 25 -2.126 9.835 4.325 1.00 0.00 C ATOM 0 H VAL A 25 -0.402 9.279 5.822 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.902 6.947 6.149 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.288 8.066 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.361 9.565 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.027 7.955 6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.981 9.332 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.947 10.499 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.481 10.331 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.548 9.592 3.433 1.00 0.00 H new ATOM 382 N PHE A 26 -0.445 7.249 3.193 1.00 0.00 N ATOM 383 CA PHE A 26 -0.097 6.527 1.973 1.00 0.00 C ATOM 384 C PHE A 26 0.560 5.176 2.255 1.00 0.00 C ATOM 385 O PHE A 26 0.094 4.145 1.770 1.00 0.00 O ATOM 386 CB PHE A 26 0.812 7.391 1.103 1.00 0.00 C ATOM 387 CG PHE A 26 0.149 8.664 0.663 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.779 8.657 -0.364 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.444 9.864 1.285 1.00 0.00 C ATOM 390 CE1 PHE A 26 -1.401 9.824 -0.763 1.00 0.00 C ATOM 391 CE2 PHE A 26 -0.170 11.036 0.889 1.00 0.00 C ATOM 392 CZ PHE A 26 -1.095 11.016 -0.136 1.00 0.00 C ATOM 0 H PHE A 26 -0.039 8.182 3.262 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.026 6.318 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.719 7.631 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.117 6.822 0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.020 7.728 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.163 9.885 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.125 9.804 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.073 11.967 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.578 11.931 -0.447 1.00 0.00 H new ATOM 402 N GLU A 27 1.635 5.175 3.034 1.00 0.00 N ATOM 403 CA GLU A 27 2.334 3.932 3.358 1.00 0.00 C ATOM 404 C GLU A 27 1.457 3.021 4.209 1.00 0.00 C ATOM 405 O GLU A 27 1.529 1.798 4.100 1.00 0.00 O ATOM 406 CB GLU A 27 3.661 4.221 4.062 1.00 0.00 C ATOM 407 CG GLU A 27 3.527 5.037 5.335 1.00 0.00 C ATOM 408 CD GLU A 27 2.975 4.229 6.493 1.00 0.00 C ATOM 409 OE1 GLU A 27 3.129 2.990 6.478 1.00 0.00 O ATOM 410 OE2 GLU A 27 2.389 4.836 7.414 1.00 0.00 O ATOM 0 H GLU A 27 2.041 6.012 3.451 1.00 0.00 H new ATOM 0 HA GLU A 27 2.552 3.415 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.146 3.275 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.317 4.751 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.503 5.437 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.874 5.889 5.148 1.00 0.00 H new ATOM 417 N ASN A 28 0.619 3.622 5.046 1.00 0.00 N ATOM 418 CA ASN A 28 -0.280 2.856 5.899 1.00 0.00 C ATOM 419 C ASN A 28 -1.304 2.098 5.055 1.00 0.00 C ATOM 420 O ASN A 28 -1.804 1.049 5.462 1.00 0.00 O ATOM 421 CB ASN A 28 -0.996 3.779 6.887 1.00 0.00 C ATOM 422 CG ASN A 28 -1.531 3.034 8.094 1.00 0.00 C ATOM 423 OD1 ASN A 28 -2.517 2.304 8.000 1.00 0.00 O ATOM 424 ND2 ASN A 28 -0.879 3.214 9.236 1.00 0.00 N ATOM 0 H ASN A 28 0.544 4.634 5.152 1.00 0.00 H new ATOM 0 HA ASN A 28 0.314 2.134 6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.307 4.555 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.820 4.281 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.191 2.737 10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.066 3.829 9.268 1.00 0.00 H new ATOM 431 N ALA A 29 -1.609 2.638 3.877 1.00 0.00 N ATOM 432 CA ALA A 29 -2.570 2.018 2.971 1.00 0.00 C ATOM 433 C ALA A 29 -2.102 0.637 2.526 1.00 0.00 C ATOM 434 O ALA A 29 -2.891 -0.307 2.462 1.00 0.00 O ATOM 435 CB ALA A 29 -2.802 2.910 1.761 1.00 0.00 C ATOM 0 H ALA A 29 -1.203 3.506 3.528 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.510 1.896 3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.521 2.436 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.191 3.874 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.860 3.060 1.233 1.00 0.00 H new ATOM 441 N ALA A 30 -0.815 0.525 2.216 1.00 0.00 N ATOM 442 CA ALA A 30 -0.244 -0.741 1.774 1.00 0.00 C ATOM 443 C ALA A 30 -0.422 -1.828 2.828 1.00 0.00 C ATOM 444 O ALA A 30 -0.714 -2.979 2.501 1.00 0.00 O ATOM 445 CB ALA A 30 1.230 -0.565 1.441 1.00 0.00 C ATOM 0 H ALA A 30 -0.148 1.295 2.263 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.777 -1.055 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.645 -1.518 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.338 0.172 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.765 -0.223 2.327 1.00 0.00 H new ATOM 451 N LEU A 31 -0.240 -1.460 4.091 1.00 0.00 N ATOM 452 CA LEU A 31 -0.375 -2.413 5.189 1.00 0.00 C ATOM 453 C LEU A 31 -1.775 -3.027 5.222 1.00 0.00 C ATOM 454 O LEU A 31 -1.938 -4.201 5.552 1.00 0.00 O ATOM 455 CB LEU A 31 -0.053 -1.736 6.529 1.00 0.00 C ATOM 456 CG LEU A 31 -1.254 -1.191 7.311 1.00 0.00 C ATOM 457 CD1 LEU A 31 -1.857 -2.277 8.189 1.00 0.00 C ATOM 458 CD2 LEU A 31 -0.840 0.004 8.155 1.00 0.00 C ATOM 0 H LEU A 31 0.001 -0.512 4.381 1.00 0.00 H new ATOM 0 HA LEU A 31 0.340 -3.219 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.471 -2.454 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.637 -0.913 6.342 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.010 -0.866 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.708 -1.872 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.189 -3.107 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.107 -2.632 8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.704 0.379 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.066 -0.299 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.453 0.790 7.507 1.00 0.00 H new ATOM 470 N ALA A 32 -2.783 -2.226 4.885 1.00 0.00 N ATOM 471 CA ALA A 32 -4.167 -2.694 4.884 1.00 0.00 C ATOM 472 C ALA A 32 -4.327 -3.962 4.050 1.00 0.00 C ATOM 473 O ALA A 32 -4.945 -4.932 4.491 1.00 0.00 O ATOM 474 CB ALA A 32 -5.096 -1.603 4.368 1.00 0.00 C ATOM 0 H ALA A 32 -2.668 -1.251 4.609 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.437 -2.933 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.123 -1.967 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.019 -0.726 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.812 -1.334 3.351 1.00 0.00 H new ATOM 480 N MET A 33 -3.777 -3.945 2.843 1.00 0.00 N ATOM 481 CA MET A 33 -3.867 -5.089 1.946 1.00 0.00 C ATOM 482 C MET A 33 -2.989 -6.243 2.423 1.00 0.00 C ATOM 483 O MET A 33 -3.437 -7.385 2.489 1.00 0.00 O ATOM 484 CB MET A 33 -3.460 -4.681 0.528 1.00 0.00 C ATOM 485 CG MET A 33 -4.640 -4.339 -0.367 1.00 0.00 C ATOM 486 SD MET A 33 -4.726 -2.582 -0.762 1.00 0.00 S ATOM 487 CE MET A 33 -5.537 -1.945 0.702 1.00 0.00 C ATOM 0 H MET A 33 -3.263 -3.150 2.462 1.00 0.00 H new ATOM 0 HA MET A 33 -4.903 -5.429 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.794 -3.820 0.583 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.893 -5.493 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.568 -4.912 -1.291 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.564 -4.642 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.016 -1.052 1.047 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.571 -1.693 0.465 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.519 -2.702 1.486 1.00 0.00 H new ATOM 497 N PHE A 34 -1.737 -5.937 2.743 1.00 0.00 N ATOM 498 CA PHE A 34 -0.790 -6.950 3.200 1.00 0.00 C ATOM 499 C PHE A 34 -1.265 -7.632 4.482 1.00 0.00 C ATOM 500 O PHE A 34 -1.240 -8.858 4.590 1.00 0.00 O ATOM 501 CB PHE A 34 0.586 -6.319 3.425 1.00 0.00 C ATOM 502 CG PHE A 34 1.600 -6.707 2.388 1.00 0.00 C ATOM 503 CD1 PHE A 34 1.894 -8.040 2.156 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.260 -5.739 1.648 1.00 0.00 C ATOM 505 CE1 PHE A 34 2.828 -8.402 1.204 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.194 -6.095 0.694 1.00 0.00 C ATOM 507 CZ PHE A 34 3.477 -7.429 0.472 1.00 0.00 C ATOM 0 H PHE A 34 -1.352 -4.994 2.695 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.720 -7.711 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.482 -5.234 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.954 -6.611 4.409 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.388 -8.805 2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.042 -4.695 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.050 -9.445 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.702 -5.332 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.206 -7.710 -0.274 1.00 0.00 H new ATOM 517 N GLU A 35 -1.685 -6.830 5.455 1.00 0.00 N ATOM 518 CA GLU A 35 -2.150 -7.356 6.735 1.00 0.00 C ATOM 519 C GLU A 35 -3.245 -8.405 6.552 1.00 0.00 C ATOM 520 O GLU A 35 -3.381 -9.319 7.365 1.00 0.00 O ATOM 521 CB GLU A 35 -2.667 -6.219 7.618 1.00 0.00 C ATOM 522 CG GLU A 35 -1.590 -5.578 8.476 1.00 0.00 C ATOM 523 CD GLU A 35 -2.100 -5.177 9.847 1.00 0.00 C ATOM 524 OE1 GLU A 35 -2.980 -5.882 10.382 1.00 0.00 O ATOM 525 OE2 GLU A 35 -1.617 -4.158 10.386 1.00 0.00 O ATOM 0 H GLU A 35 -1.713 -5.813 5.382 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.300 -7.837 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.118 -5.455 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.455 -6.603 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.759 -6.274 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.200 -4.698 7.965 1.00 0.00 H new ATOM 532 N VAL A 36 -4.032 -8.263 5.492 1.00 0.00 N ATOM 533 CA VAL A 36 -5.121 -9.195 5.224 1.00 0.00 C ATOM 534 C VAL A 36 -4.780 -10.168 4.098 1.00 0.00 C ATOM 535 O VAL A 36 -5.333 -11.265 4.030 1.00 0.00 O ATOM 536 CB VAL A 36 -6.415 -8.448 4.860 1.00 0.00 C ATOM 537 CG1 VAL A 36 -7.595 -9.409 4.811 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.674 -7.320 5.848 1.00 0.00 C ATOM 0 H VAL A 36 -3.937 -7.514 4.806 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.271 -9.762 6.143 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.295 -8.012 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.501 -8.860 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.408 -10.177 4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.722 -9.879 5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.593 -6.802 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.773 -7.732 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.841 -6.617 5.825 1.00 0.00 H new ATOM 548 N MET A 37 -3.872 -9.767 3.215 1.00 0.00 N ATOM 549 CA MET A 37 -3.472 -10.607 2.104 1.00 0.00 C ATOM 550 C MET A 37 -2.543 -11.721 2.585 1.00 0.00 C ATOM 551 O MET A 37 -2.443 -12.774 1.957 1.00 0.00 O ATOM 552 CB MET A 37 -2.795 -9.743 1.034 1.00 0.00 C ATOM 553 CG MET A 37 -1.795 -10.483 0.169 1.00 0.00 C ATOM 554 SD MET A 37 -2.586 -11.591 -1.017 1.00 0.00 S ATOM 555 CE MET A 37 -1.690 -13.112 -0.718 1.00 0.00 C ATOM 0 H MET A 37 -3.401 -8.863 3.252 1.00 0.00 H new ATOM 0 HA MET A 37 -4.352 -11.079 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.564 -9.313 0.392 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.288 -8.912 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.181 -9.761 -0.369 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.125 -11.059 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.507 -13.619 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.738 -12.885 -0.238 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.279 -13.759 -0.068 1.00 0.00 H new ATOM 565 N THR A 38 -1.867 -11.479 3.704 1.00 0.00 N ATOM 566 CA THR A 38 -0.948 -12.460 4.267 1.00 0.00 C ATOM 567 C THR A 38 -0.576 -12.095 5.701 1.00 0.00 C ATOM 568 O THR A 38 -1.204 -11.233 6.314 1.00 0.00 O ATOM 569 CB THR A 38 0.312 -12.559 3.405 1.00 0.00 C ATOM 570 OG1 THR A 38 1.177 -13.567 3.892 1.00 0.00 O ATOM 571 CG2 THR A 38 1.098 -11.268 3.342 1.00 0.00 C ATOM 0 H THR A 38 -1.939 -10.613 4.238 1.00 0.00 H new ATOM 0 HA THR A 38 -1.447 -13.429 4.278 1.00 0.00 H new ATOM 0 HB THR A 38 -0.044 -12.797 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.012 -14.402 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.978 -11.408 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.473 -10.482 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.410 -10.983 4.347 1.00 0.00 H new ATOM 579 N ASP A 39 0.448 -12.757 6.232 1.00 0.00 N ATOM 580 CA ASP A 39 0.898 -12.501 7.595 1.00 0.00 C ATOM 581 C ASP A 39 2.385 -12.162 7.630 1.00 0.00 C ATOM 582 O ASP A 39 3.228 -13.043 7.799 1.00 0.00 O ATOM 583 CB ASP A 39 0.619 -13.715 8.481 1.00 0.00 C ATOM 584 CG ASP A 39 0.444 -13.338 9.939 1.00 0.00 C ATOM 585 OD1 ASP A 39 -0.290 -12.366 10.217 1.00 0.00 O ATOM 586 OD2 ASP A 39 1.040 -14.014 10.804 1.00 0.00 O ATOM 0 H ASP A 39 0.981 -13.474 5.739 1.00 0.00 H new ATOM 0 HA ASP A 39 0.343 -11.644 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.281 -14.220 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.440 -14.426 8.388 1.00 0.00 H new ATOM 591 N THR A 40 2.702 -10.879 7.473 1.00 0.00 N ATOM 592 CA THR A 40 4.090 -10.427 7.491 1.00 0.00 C ATOM 593 C THR A 40 4.691 -10.578 8.889 1.00 0.00 C ATOM 594 O THR A 40 5.910 -10.649 9.042 1.00 0.00 O ATOM 595 CB THR A 40 4.191 -8.968 7.027 1.00 0.00 C ATOM 596 OG1 THR A 40 3.937 -8.079 8.100 1.00 0.00 O ATOM 597 CG2 THR A 40 3.227 -8.624 5.910 1.00 0.00 C ATOM 0 H THR A 40 2.018 -10.136 7.332 1.00 0.00 H new ATOM 0 HA THR A 40 4.657 -11.052 6.801 1.00 0.00 H new ATOM 0 HB THR A 40 5.209 -8.857 6.654 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.785 -7.715 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.352 -7.578 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.430 -9.257 5.046 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.204 -8.790 6.248 1.00 0.00 H new ATOM 605 N SER A 41 3.829 -10.629 9.904 1.00 0.00 N ATOM 606 CA SER A 41 4.277 -10.775 11.286 1.00 0.00 C ATOM 607 C SER A 41 5.016 -12.095 11.484 1.00 0.00 C ATOM 608 O SER A 41 4.461 -13.058 12.013 1.00 0.00 O ATOM 609 CB SER A 41 3.085 -10.697 12.242 1.00 0.00 C ATOM 610 OG SER A 41 2.107 -11.670 11.920 1.00 0.00 O ATOM 0 H SER A 41 2.817 -10.571 9.794 1.00 0.00 H new ATOM 0 HA SER A 41 4.965 -9.958 11.505 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.426 -10.846 13.266 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.642 -9.702 12.195 1.00 0.00 H new ATOM 0 HG SER A 41 2.508 -12.563 11.963 1.00 0.00 H new ATOM 616 N LEU A 42 6.273 -12.127 11.051 1.00 0.00 N ATOM 617 CA LEU A 42 7.107 -13.321 11.165 1.00 0.00 C ATOM 618 C LEU A 42 8.430 -13.106 10.438 1.00 0.00 C ATOM 619 O LEU A 42 9.480 -13.581 10.871 1.00 0.00 O ATOM 620 CB LEU A 42 6.386 -14.542 10.580 1.00 0.00 C ATOM 621 CG LEU A 42 6.390 -15.783 11.474 1.00 0.00 C ATOM 622 CD1 LEU A 42 5.065 -16.521 11.365 1.00 0.00 C ATOM 623 CD2 LEU A 42 7.545 -16.701 11.104 1.00 0.00 C ATOM 0 H LEU A 42 6.740 -11.333 10.614 1.00 0.00 H new ATOM 0 HA LEU A 42 7.303 -13.504 12.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.352 -14.268 10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.850 -14.797 9.627 1.00 0.00 H new ATOM 0 HG LEU A 42 6.522 -15.464 12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.085 -17.401 12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.255 -15.862 11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.904 -16.829 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.533 -17.579 11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.443 -17.013 10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.488 -16.169 11.232 1.00 0.00 H new ATOM 635 N VAL A 43 8.359 -12.386 9.326 1.00 0.00 N ATOM 636 CA VAL A 43 9.529 -12.089 8.512 1.00 0.00 C ATOM 637 C VAL A 43 10.100 -10.716 8.862 1.00 0.00 C ATOM 638 O VAL A 43 9.360 -9.742 9.000 1.00 0.00 O ATOM 639 CB VAL A 43 9.166 -12.132 7.014 1.00 0.00 C ATOM 640 CG1 VAL A 43 10.289 -11.567 6.154 1.00 0.00 C ATOM 641 CG2 VAL A 43 8.814 -13.549 6.588 1.00 0.00 C ATOM 0 H VAL A 43 7.490 -11.992 8.964 1.00 0.00 H new ATOM 0 HA VAL A 43 10.285 -12.846 8.720 1.00 0.00 H new ATOM 0 HB VAL A 43 8.289 -11.502 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.001 -11.612 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.476 -10.531 6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.195 -12.154 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.561 -13.558 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.667 -14.204 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.961 -13.902 7.168 1.00 0.00 H new ATOM 651 N GLU A 44 11.419 -10.649 9.006 1.00 0.00 N ATOM 652 CA GLU A 44 12.089 -9.398 9.342 1.00 0.00 C ATOM 653 C GLU A 44 12.276 -8.522 8.105 1.00 0.00 C ATOM 654 O GLU A 44 11.491 -7.606 7.856 1.00 0.00 O ATOM 655 CB GLU A 44 13.445 -9.683 9.992 1.00 0.00 C ATOM 656 CG GLU A 44 13.446 -9.504 11.502 1.00 0.00 C ATOM 657 CD GLU A 44 13.812 -10.776 12.242 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.019 -11.087 12.325 1.00 0.00 O ATOM 659 OE2 GLU A 44 12.893 -11.461 12.738 1.00 0.00 O ATOM 0 H GLU A 44 12.045 -11.446 8.895 1.00 0.00 H new ATOM 0 HA GLU A 44 11.459 -8.858 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.744 -10.704 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.194 -9.022 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.151 -8.717 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.459 -9.172 11.825 1.00 0.00 H new ATOM 666 N ALA A 45 13.323 -8.807 7.337 1.00 0.00 N ATOM 667 CA ALA A 45 13.625 -8.048 6.126 1.00 0.00 C ATOM 668 C ALA A 45 14.932 -8.526 5.502 1.00 0.00 C ATOM 669 O ALA A 45 16.016 -8.213 5.993 1.00 0.00 O ATOM 670 CB ALA A 45 13.700 -6.557 6.435 1.00 0.00 C ATOM 0 H ALA A 45 13.980 -9.562 7.533 1.00 0.00 H new ATOM 0 HA ALA A 45 12.820 -8.215 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.926 -6.007 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.744 -6.220 6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.484 -6.377 7.170 1.00 0.00 H new ATOM 676 N ALA A 46 14.822 -9.295 4.424 1.00 0.00 N ATOM 677 CA ALA A 46 15.994 -9.828 3.742 1.00 0.00 C ATOM 678 C ALA A 46 16.393 -8.980 2.540 1.00 0.00 C ATOM 679 O ALA A 46 17.544 -9.016 2.101 1.00 0.00 O ATOM 680 CB ALA A 46 15.739 -11.262 3.308 1.00 0.00 C ATOM 0 H ALA A 46 13.932 -9.563 4.004 1.00 0.00 H new ATOM 0 HA ALA A 46 16.823 -9.803 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.621 -11.651 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.526 -11.875 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.887 -11.291 2.629 1.00 0.00 H new ATOM 686 N GLU A 47 15.442 -8.233 2.000 1.00 0.00 N ATOM 687 CA GLU A 47 15.704 -7.395 0.838 1.00 0.00 C ATOM 688 C GLU A 47 15.070 -6.025 0.994 1.00 0.00 C ATOM 689 O GLU A 47 14.292 -5.796 1.916 1.00 0.00 O ATOM 690 CB GLU A 47 15.160 -8.059 -0.422 1.00 0.00 C ATOM 691 CG GLU A 47 15.481 -9.542 -0.519 1.00 0.00 C ATOM 692 CD GLU A 47 16.860 -9.806 -1.091 1.00 0.00 C ATOM 693 OE1 GLU A 47 17.798 -9.056 -0.749 1.00 0.00 O ATOM 694 OE2 GLU A 47 17.001 -10.762 -1.882 1.00 0.00 O ATOM 0 H GLU A 47 14.484 -8.189 2.346 1.00 0.00 H new ATOM 0 HA GLU A 47 16.784 -7.273 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.078 -7.928 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.568 -7.550 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.411 -9.990 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.733 -10.031 -1.143 1.00 0.00 H new ATOM 701 N GLU A 48 15.406 -5.119 0.083 1.00 0.00 N ATOM 702 CA GLU A 48 14.857 -3.772 0.116 1.00 0.00 C ATOM 703 C GLU A 48 14.568 -3.264 -1.295 1.00 0.00 C ATOM 704 O GLU A 48 15.316 -3.540 -2.233 1.00 0.00 O ATOM 705 CB GLU A 48 15.814 -2.819 0.832 1.00 0.00 C ATOM 706 CG GLU A 48 15.165 -1.511 1.257 1.00 0.00 C ATOM 707 CD GLU A 48 16.182 -0.446 1.615 1.00 0.00 C ATOM 708 OE1 GLU A 48 16.980 -0.676 2.548 1.00 0.00 O ATOM 709 OE2 GLU A 48 16.181 0.619 0.962 1.00 0.00 O ATOM 0 H GLU A 48 16.054 -5.294 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 48 13.918 -3.807 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.218 -3.317 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.656 -2.601 0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.530 -1.145 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.517 -1.693 2.115 1.00 0.00 H new ATOM 716 N ARG A 49 13.477 -2.519 -1.433 1.00 0.00 N ATOM 717 CA ARG A 49 13.076 -1.963 -2.720 1.00 0.00 C ATOM 718 C ARG A 49 12.521 -0.554 -2.539 1.00 0.00 C ATOM 719 O ARG A 49 11.905 -0.249 -1.520 1.00 0.00 O ATOM 720 CB ARG A 49 12.025 -2.857 -3.382 1.00 0.00 C ATOM 721 CG ARG A 49 12.506 -4.278 -3.636 1.00 0.00 C ATOM 722 CD ARG A 49 12.434 -4.636 -5.113 1.00 0.00 C ATOM 723 NE ARG A 49 13.176 -3.691 -5.943 1.00 0.00 N ATOM 724 CZ ARG A 49 13.286 -3.792 -7.265 1.00 0.00 C ATOM 725 NH1 ARG A 49 12.701 -4.794 -7.912 1.00 0.00 N ATOM 726 NH2 ARG A 49 13.978 -2.890 -7.945 1.00 0.00 N ATOM 0 H ARG A 49 12.850 -2.285 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 49 13.954 -1.916 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.138 -2.890 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.724 -2.409 -4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.532 -4.384 -3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.898 -4.977 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.832 -5.640 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.391 -4.656 -5.431 1.00 0.00 H new ATOM 0 HE ARG A 49 13.637 -2.907 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.164 -5.491 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.788 -4.867 -8.926 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.428 -2.117 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.061 -2.969 -8.959 1.00 0.00 H new ATOM 740 N ARG A 50 12.740 0.301 -3.531 1.00 0.00 N ATOM 741 CA ARG A 50 12.258 1.676 -3.470 1.00 0.00 C ATOM 742 C ARG A 50 11.379 2.005 -4.672 1.00 0.00 C ATOM 743 O ARG A 50 11.641 1.557 -5.789 1.00 0.00 O ATOM 744 CB ARG A 50 13.435 2.653 -3.397 1.00 0.00 C ATOM 745 CG ARG A 50 14.548 2.345 -4.385 1.00 0.00 C ATOM 746 CD ARG A 50 15.888 2.881 -3.907 1.00 0.00 C ATOM 747 NE ARG A 50 15.888 4.338 -3.788 1.00 0.00 N ATOM 748 CZ ARG A 50 15.706 4.995 -2.643 1.00 0.00 C ATOM 749 NH1 ARG A 50 15.488 4.335 -1.511 1.00 0.00 N ATOM 750 NH2 ARG A 50 15.738 6.321 -2.630 1.00 0.00 N ATOM 0 H ARG A 50 13.247 0.068 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 50 11.655 1.779 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.069 3.663 -3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.844 2.640 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 50 14.618 1.267 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.306 2.782 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.131 2.439 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 50 16.669 2.575 -4.603 1.00 0.00 H new ATOM 0 HE ARG A 50 16.037 4.886 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.459 3.315 -1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.350 4.848 -0.640 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.902 6.836 -3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.599 6.826 -1.755 1.00 0.00 H new ATOM 764 N VAL A 51 10.335 2.793 -4.434 1.00 0.00 N ATOM 765 CA VAL A 51 9.412 3.189 -5.492 1.00 0.00 C ATOM 766 C VAL A 51 9.291 4.709 -5.565 1.00 0.00 C ATOM 767 O VAL A 51 9.380 5.393 -4.548 1.00 0.00 O ATOM 768 CB VAL A 51 8.014 2.582 -5.275 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.102 2.897 -6.451 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.112 1.079 -5.057 1.00 0.00 C ATOM 0 H VAL A 51 10.107 3.171 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 51 9.818 2.811 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 51 7.581 3.030 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.119 2.459 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.004 3.977 -6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.528 2.481 -7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.114 0.668 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.568 0.614 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.725 0.878 -4.178 1.00 0.00 H new ATOM 780 N GLU A 52 9.082 5.229 -6.771 1.00 0.00 N ATOM 781 CA GLU A 52 8.941 6.666 -6.973 1.00 0.00 C ATOM 782 C GLU A 52 7.646 6.971 -7.706 1.00 0.00 C ATOM 783 O GLU A 52 7.259 6.244 -8.621 1.00 0.00 O ATOM 784 CB GLU A 52 10.136 7.227 -7.754 1.00 0.00 C ATOM 785 CG GLU A 52 10.804 6.214 -8.669 1.00 0.00 C ATOM 786 CD GLU A 52 11.454 6.859 -9.877 1.00 0.00 C ATOM 787 OE1 GLU A 52 12.503 7.516 -9.706 1.00 0.00 O ATOM 788 OE2 GLU A 52 10.916 6.707 -10.993 1.00 0.00 O ATOM 0 H GLU A 52 9.007 4.675 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 52 8.914 7.146 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.801 8.076 -8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.874 7.606 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.558 5.663 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.063 5.488 -9.004 1.00 0.00 H new ATOM 795 N ILE A 53 6.970 8.035 -7.297 1.00 0.00 N ATOM 796 CA ILE A 53 5.711 8.401 -7.924 1.00 0.00 C ATOM 797 C ILE A 53 5.571 9.905 -8.114 1.00 0.00 C ATOM 798 O ILE A 53 6.102 10.693 -7.334 1.00 0.00 O ATOM 799 CB ILE A 53 4.496 7.914 -7.107 1.00 0.00 C ATOM 800 CG1 ILE A 53 4.896 6.902 -6.027 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.475 7.316 -8.041 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.719 6.352 -5.252 1.00 0.00 C ATOM 0 H ILE A 53 7.269 8.653 -6.542 1.00 0.00 H new ATOM 0 HA ILE A 53 5.726 7.911 -8.898 1.00 0.00 H new ATOM 0 HB ILE A 53 4.066 8.773 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.431 6.076 -6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.588 7.378 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.615 6.971 -7.467 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.153 8.070 -8.759 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.918 6.474 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.075 5.642 -4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.196 7.170 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.037 5.847 -5.936 1.00 0.00 H new ATOM 814 N THR A 54 4.816 10.288 -9.140 1.00 0.00 N ATOM 815 CA THR A 54 4.559 11.694 -9.416 1.00 0.00 C ATOM 816 C THR A 54 3.055 11.955 -9.400 1.00 0.00 C ATOM 817 O THR A 54 2.317 11.455 -10.249 1.00 0.00 O ATOM 818 CB THR A 54 5.147 12.091 -10.771 1.00 0.00 C ATOM 819 OG1 THR A 54 6.541 11.845 -10.804 1.00 0.00 O ATOM 820 CG2 THR A 54 4.930 13.550 -11.112 1.00 0.00 C ATOM 0 H THR A 54 4.372 9.642 -9.793 1.00 0.00 H new ATOM 0 HA THR A 54 5.037 12.297 -8.644 1.00 0.00 H new ATOM 0 HB THR A 54 4.621 11.480 -11.505 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.898 12.104 -11.679 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.371 13.766 -12.085 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.861 13.761 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.401 14.175 -10.354 1.00 0.00 H new ATOM 828 N SER A 55 2.611 12.738 -8.426 1.00 0.00 N ATOM 829 CA SER A 55 1.199 13.073 -8.283 1.00 0.00 C ATOM 830 C SER A 55 0.992 14.579 -8.346 1.00 0.00 C ATOM 831 O SER A 55 1.939 15.344 -8.210 1.00 0.00 O ATOM 832 CB SER A 55 0.652 12.521 -6.969 1.00 0.00 C ATOM 833 OG SER A 55 0.849 11.121 -6.887 1.00 0.00 O ATOM 0 H SER A 55 3.213 13.157 -7.717 1.00 0.00 H new ATOM 0 HA SER A 55 0.656 12.616 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.146 13.011 -6.130 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.411 12.748 -6.889 1.00 0.00 H new ATOM 0 HG SER A 55 0.260 10.670 -7.527 1.00 0.00 H new ATOM 839 N GLU A 56 -0.249 15.000 -8.549 1.00 0.00 N ATOM 840 CA GLU A 56 -0.563 16.421 -8.617 1.00 0.00 C ATOM 841 C GLU A 56 -1.972 16.690 -8.109 1.00 0.00 C ATOM 842 O GLU A 56 -2.710 17.489 -8.685 1.00 0.00 O ATOM 843 CB GLU A 56 -0.408 16.928 -10.048 1.00 0.00 C ATOM 844 CG GLU A 56 0.893 16.491 -10.693 1.00 0.00 C ATOM 845 CD GLU A 56 1.202 17.256 -11.966 1.00 0.00 C ATOM 846 OE1 GLU A 56 0.352 17.254 -12.882 1.00 0.00 O ATOM 847 OE2 GLU A 56 2.293 17.858 -12.046 1.00 0.00 O ATOM 0 H GLU A 56 -1.051 14.382 -8.669 1.00 0.00 H new ATOM 0 HA GLU A 56 0.137 16.957 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.244 16.568 -10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.460 18.017 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.709 16.629 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.842 15.426 -10.918 1.00 0.00 H new ATOM 854 N ASP A 57 -2.343 16.011 -7.029 1.00 0.00 N ATOM 855 CA ASP A 57 -3.671 16.176 -6.451 1.00 0.00 C ATOM 856 C ASP A 57 -3.777 15.572 -5.046 1.00 0.00 C ATOM 857 O ASP A 57 -4.862 15.546 -4.467 1.00 0.00 O ATOM 858 CB ASP A 57 -4.710 15.538 -7.373 1.00 0.00 C ATOM 859 CG ASP A 57 -6.011 16.317 -7.407 1.00 0.00 C ATOM 860 OD1 ASP A 57 -6.633 16.480 -6.335 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.407 16.763 -8.503 1.00 0.00 O ATOM 0 H ASP A 57 -1.746 15.345 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.859 17.245 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.304 15.471 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.909 14.519 -7.041 1.00 0.00 H new ATOM 866 N ARG A 58 -2.656 15.096 -4.497 1.00 0.00 N ATOM 867 CA ARG A 58 -2.645 14.501 -3.160 1.00 0.00 C ATOM 868 C ARG A 58 -3.517 13.251 -3.105 1.00 0.00 C ATOM 869 O ARG A 58 -3.010 12.134 -2.998 1.00 0.00 O ATOM 870 CB ARG A 58 -3.123 15.516 -2.119 1.00 0.00 C ATOM 871 CG ARG A 58 -2.100 16.600 -1.813 1.00 0.00 C ATOM 872 CD ARG A 58 -2.555 17.959 -2.317 1.00 0.00 C ATOM 873 NE ARG A 58 -3.510 18.589 -1.409 1.00 0.00 N ATOM 874 CZ ARG A 58 -4.235 19.661 -1.721 1.00 0.00 C ATOM 875 NH1 ARG A 58 -4.115 20.227 -2.916 1.00 0.00 N ATOM 876 NH2 ARG A 58 -5.080 20.171 -0.835 1.00 0.00 N ATOM 0 H ARG A 58 -1.746 15.111 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.619 14.213 -2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.041 15.984 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.370 14.990 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.932 16.648 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.147 16.341 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.688 18.609 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.010 17.847 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.628 18.183 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.465 19.841 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.673 21.048 -3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.174 19.742 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.635 20.992 -1.074 1.00 0.00 H new ATOM 890 N VAL A 59 -4.830 13.443 -3.180 1.00 0.00 N ATOM 891 CA VAL A 59 -5.771 12.330 -3.140 1.00 0.00 C ATOM 892 C VAL A 59 -5.431 11.294 -4.207 1.00 0.00 C ATOM 893 O VAL A 59 -5.586 10.092 -3.992 1.00 0.00 O ATOM 894 CB VAL A 59 -7.221 12.814 -3.345 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.377 13.486 -4.701 1.00 0.00 C ATOM 896 CG2 VAL A 59 -8.199 11.658 -3.198 1.00 0.00 C ATOM 0 H VAL A 59 -5.267 14.360 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.689 11.873 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.448 13.550 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.407 13.820 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.708 14.344 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.128 12.776 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.216 12.021 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.974 10.894 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.109 11.230 -2.200 1.00 0.00 H new ATOM 906 N SER A 60 -4.961 11.770 -5.354 1.00 0.00 N ATOM 907 CA SER A 60 -4.591 10.886 -6.452 1.00 0.00 C ATOM 908 C SER A 60 -3.324 10.113 -6.115 1.00 0.00 C ATOM 909 O SER A 60 -3.138 8.985 -6.573 1.00 0.00 O ATOM 910 CB SER A 60 -4.393 11.686 -7.740 1.00 0.00 C ATOM 911 OG SER A 60 -5.588 11.737 -8.499 1.00 0.00 O ATOM 0 H SER A 60 -4.827 12.763 -5.548 1.00 0.00 H new ATOM 0 HA SER A 60 -5.402 10.174 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.070 12.698 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.600 11.233 -8.335 1.00 0.00 H new ATOM 0 HG SER A 60 -5.435 12.256 -9.316 1.00 0.00 H new ATOM 917 N LEU A 61 -2.453 10.715 -5.305 1.00 0.00 N ATOM 918 CA LEU A 61 -1.215 10.055 -4.912 1.00 0.00 C ATOM 919 C LEU A 61 -1.524 8.686 -4.314 1.00 0.00 C ATOM 920 O LEU A 61 -0.823 7.710 -4.573 1.00 0.00 O ATOM 921 CB LEU A 61 -0.439 10.909 -3.904 1.00 0.00 C ATOM 922 CG LEU A 61 1.092 10.889 -4.042 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.741 11.339 -2.743 1.00 0.00 C ATOM 924 CD2 LEU A 61 1.600 9.505 -4.433 1.00 0.00 C ATOM 0 H LEU A 61 -2.582 11.648 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.595 9.927 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.779 11.941 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.698 10.575 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 61 1.365 11.582 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.825 11.321 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.417 12.353 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.446 10.667 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.686 9.528 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.313 8.783 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.164 9.214 -5.389 1.00 0.00 H new ATOM 936 N LEU A 62 -2.595 8.619 -3.529 1.00 0.00 N ATOM 937 CA LEU A 62 -3.009 7.362 -2.917 1.00 0.00 C ATOM 938 C LEU A 62 -3.449 6.381 -3.999 1.00 0.00 C ATOM 939 O LEU A 62 -3.026 5.225 -4.015 1.00 0.00 O ATOM 940 CB LEU A 62 -4.157 7.594 -1.925 1.00 0.00 C ATOM 941 CG LEU A 62 -4.394 6.472 -0.897 1.00 0.00 C ATOM 942 CD1 LEU A 62 -3.995 5.114 -1.462 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.624 6.756 0.384 1.00 0.00 C ATOM 0 H LEU A 62 -3.189 9.417 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.161 6.945 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.963 8.521 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.077 7.742 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.460 6.444 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.174 4.342 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.588 4.901 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.937 5.126 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.802 5.954 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.558 6.815 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.960 7.702 0.808 1.00 0.00 H new ATOM 955 N TYR A 63 -4.300 6.855 -4.904 1.00 0.00 N ATOM 956 CA TYR A 63 -4.799 6.026 -5.993 1.00 0.00 C ATOM 957 C TYR A 63 -3.647 5.463 -6.819 1.00 0.00 C ATOM 958 O TYR A 63 -3.717 4.340 -7.317 1.00 0.00 O ATOM 959 CB TYR A 63 -5.740 6.836 -6.891 1.00 0.00 C ATOM 960 CG TYR A 63 -6.202 6.086 -8.121 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.562 4.746 -8.046 1.00 0.00 C ATOM 962 CD2 TYR A 63 -6.273 6.715 -9.357 1.00 0.00 C ATOM 963 CE1 TYR A 63 -6.981 4.055 -9.167 1.00 0.00 C ATOM 964 CE2 TYR A 63 -6.691 6.031 -10.483 1.00 0.00 C ATOM 965 CZ TYR A 63 -7.043 4.703 -10.384 1.00 0.00 C ATOM 966 OH TYR A 63 -7.457 4.018 -11.502 1.00 0.00 O ATOM 0 H TYR A 63 -4.658 7.810 -4.904 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.352 5.193 -5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.612 7.137 -6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.234 7.750 -7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.514 4.236 -7.095 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.997 7.756 -9.440 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.258 3.014 -9.091 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.741 6.536 -11.436 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.420 3.847 -11.443 1.00 0.00 H new ATOM 976 N ASP A 64 -2.590 6.254 -6.962 1.00 0.00 N ATOM 977 CA ASP A 64 -1.424 5.839 -7.731 1.00 0.00 C ATOM 978 C ASP A 64 -0.382 5.161 -6.844 1.00 0.00 C ATOM 979 O ASP A 64 0.485 4.441 -7.338 1.00 0.00 O ATOM 980 CB ASP A 64 -0.799 7.045 -8.436 1.00 0.00 C ATOM 981 CG ASP A 64 -0.099 6.662 -9.725 1.00 0.00 C ATOM 982 OD1 ASP A 64 1.105 6.337 -9.673 1.00 0.00 O ATOM 983 OD2 ASP A 64 -0.756 6.689 -10.787 1.00 0.00 O ATOM 0 H ASP A 64 -2.517 7.186 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.758 5.116 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.575 7.779 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.085 7.524 -7.766 1.00 0.00 H new ATOM 988 N TRP A 65 -0.462 5.396 -5.537 1.00 0.00 N ATOM 989 CA TRP A 65 0.490 4.802 -4.606 1.00 0.00 C ATOM 990 C TRP A 65 0.234 3.310 -4.431 1.00 0.00 C ATOM 991 O TRP A 65 1.141 2.493 -4.589 1.00 0.00 O ATOM 992 CB TRP A 65 0.432 5.499 -3.245 1.00 0.00 C ATOM 993 CG TRP A 65 1.164 4.752 -2.168 1.00 0.00 C ATOM 994 CD1 TRP A 65 0.794 4.624 -0.862 1.00 0.00 C ATOM 995 CD2 TRP A 65 2.388 4.018 -2.312 1.00 0.00 C ATOM 996 NE1 TRP A 65 1.711 3.858 -0.184 1.00 0.00 N ATOM 997 CE2 TRP A 65 2.699 3.475 -1.051 1.00 0.00 C ATOM 998 CE3 TRP A 65 3.253 3.765 -3.382 1.00 0.00 C ATOM 999 CZ2 TRP A 65 3.833 2.698 -0.831 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 4.379 2.993 -3.163 1.00 0.00 C ATOM 1001 CH2 TRP A 65 4.660 2.468 -1.897 1.00 0.00 C ATOM 0 H TRP A 65 -1.170 5.988 -5.103 1.00 0.00 H new ATOM 0 HA TRP A 65 1.485 4.937 -5.030 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.856 6.499 -3.337 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.610 5.621 -2.950 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -0.091 5.061 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.663 3.614 0.805 1.00 0.00 H new ATOM 0 HE3 TRP A 65 3.045 4.166 -4.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.052 2.292 0.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.053 2.792 -3.983 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.548 1.869 -1.758 1.00 0.00 H new ATOM 1012 N LEU A 66 -1.002 2.960 -4.096 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.362 1.566 -3.891 1.00 0.00 C ATOM 1014 C LEU A 66 -1.389 0.812 -5.214 1.00 0.00 C ATOM 1015 O LEU A 66 -0.908 -0.318 -5.301 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.712 1.463 -3.180 1.00 0.00 C ATOM 1017 CG LEU A 66 -2.666 0.774 -1.813 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -3.966 0.996 -1.058 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -2.384 -0.713 -1.977 1.00 0.00 C ATOM 0 H LEU A 66 -1.768 3.620 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.603 1.106 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.117 2.467 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.405 0.919 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.856 1.214 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.914 0.499 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.123 2.064 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.795 0.584 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.354 -1.188 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.171 -1.169 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.424 -0.849 -2.475 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.930 1.445 -6.252 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.981 0.821 -7.568 1.00 0.00 C ATOM 1033 C ASP A 67 -0.580 0.392 -7.980 1.00 0.00 C ATOM 1034 O ASP A 67 -0.395 -0.635 -8.633 1.00 0.00 O ATOM 1035 CB ASP A 67 -2.567 1.787 -8.600 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.820 1.119 -9.937 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.423 0.025 -9.949 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.417 1.690 -10.973 1.00 0.00 O ATOM 0 H ASP A 67 -2.335 2.380 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.627 -0.056 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.502 2.198 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.884 2.625 -8.739 1.00 0.00 H new ATOM 1043 N GLU A 68 0.408 1.179 -7.561 1.00 0.00 N ATOM 1044 CA GLU A 68 1.800 0.877 -7.850 1.00 0.00 C ATOM 1045 C GLU A 68 2.194 -0.414 -7.147 1.00 0.00 C ATOM 1046 O GLU A 68 2.961 -1.219 -7.675 1.00 0.00 O ATOM 1047 CB GLU A 68 2.696 2.025 -7.381 1.00 0.00 C ATOM 1048 CG GLU A 68 3.731 2.451 -8.409 1.00 0.00 C ATOM 1049 CD GLU A 68 3.193 3.476 -9.387 1.00 0.00 C ATOM 1050 OE1 GLU A 68 2.091 3.257 -9.931 1.00 0.00 O ATOM 1051 OE2 GLU A 68 3.873 4.501 -9.607 1.00 0.00 O ATOM 0 H GLU A 68 0.266 2.032 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 68 1.926 0.755 -8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.072 2.882 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.207 1.725 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.599 2.865 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.074 1.574 -8.959 1.00 0.00 H new ATOM 1058 N LEU A 69 1.645 -0.601 -5.950 1.00 0.00 N ATOM 1059 CA LEU A 69 1.911 -1.792 -5.158 1.00 0.00 C ATOM 1060 C LEU A 69 1.351 -3.029 -5.852 1.00 0.00 C ATOM 1061 O LEU A 69 1.896 -4.124 -5.730 1.00 0.00 O ATOM 1062 CB LEU A 69 1.295 -1.650 -3.762 1.00 0.00 C ATOM 1063 CG LEU A 69 2.305 -1.502 -2.621 1.00 0.00 C ATOM 1064 CD1 LEU A 69 2.334 -0.068 -2.114 1.00 0.00 C ATOM 1065 CD2 LEU A 69 1.975 -2.462 -1.488 1.00 0.00 C ATOM 0 H LEU A 69 1.010 0.063 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 69 2.990 -1.906 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.636 -0.782 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.673 -2.523 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 69 3.295 -1.750 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.058 0.017 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.620 0.600 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.345 0.209 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.704 -2.343 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.977 -2.246 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.008 -3.487 -1.858 1.00 0.00 H new ATOM 1077 N LEU A 70 0.250 -2.840 -6.572 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.404 -3.931 -7.284 1.00 0.00 C ATOM 1079 C LEU A 70 0.542 -4.612 -8.272 1.00 0.00 C ATOM 1080 O LEU A 70 0.617 -5.840 -8.324 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.637 -3.410 -8.026 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.762 -4.431 -8.208 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.252 -5.657 -8.949 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.349 -4.824 -6.860 1.00 0.00 C ATOM 0 H LEU A 70 -0.210 -1.936 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.706 -4.672 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.031 -2.550 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.328 -3.054 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.551 -3.973 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.065 -6.373 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.880 -5.361 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.445 -6.117 -8.379 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.148 -5.551 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.569 -5.264 -6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.751 -3.939 -6.366 1.00 0.00 H new ATOM 1096 N PHE A 71 1.250 -3.813 -9.065 1.00 0.00 N ATOM 1097 CA PHE A 71 2.175 -4.346 -10.063 1.00 0.00 C ATOM 1098 C PHE A 71 3.405 -4.979 -9.416 1.00 0.00 C ATOM 1099 O PHE A 71 3.752 -6.123 -9.712 1.00 0.00 O ATOM 1100 CB PHE A 71 2.609 -3.238 -11.024 1.00 0.00 C ATOM 1101 CG PHE A 71 1.684 -3.066 -12.196 1.00 0.00 C ATOM 1102 CD1 PHE A 71 0.556 -2.267 -12.092 1.00 0.00 C ATOM 1103 CD2 PHE A 71 1.943 -3.700 -13.400 1.00 0.00 C ATOM 1104 CE1 PHE A 71 -0.297 -2.105 -13.167 1.00 0.00 C ATOM 1105 CE2 PHE A 71 1.093 -3.543 -14.478 1.00 0.00 C ATOM 1106 CZ PHE A 71 -0.028 -2.744 -14.362 1.00 0.00 C ATOM 0 H PHE A 71 1.202 -2.795 -9.037 1.00 0.00 H new ATOM 0 HA PHE A 71 1.648 -5.125 -10.615 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.669 -2.297 -10.478 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.611 -3.458 -11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.341 -1.765 -11.160 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.819 -4.324 -13.497 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.173 -1.480 -13.073 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.305 -4.045 -15.411 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.693 -2.619 -15.204 1.00 0.00 H new ATOM 1116 N ILE A 72 4.065 -4.232 -8.539 1.00 0.00 N ATOM 1117 CA ILE A 72 5.261 -4.723 -7.860 1.00 0.00 C ATOM 1118 C ILE A 72 4.974 -5.994 -7.068 1.00 0.00 C ATOM 1119 O ILE A 72 5.837 -6.862 -6.942 1.00 0.00 O ATOM 1120 CB ILE A 72 5.873 -3.662 -6.924 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.840 -3.171 -5.914 1.00 0.00 C ATOM 1122 CG2 ILE A 72 6.422 -2.498 -7.735 1.00 0.00 C ATOM 1123 CD1 ILE A 72 5.430 -2.841 -4.560 1.00 0.00 C ATOM 0 H ILE A 72 3.793 -3.284 -8.280 1.00 0.00 H new ATOM 0 HA ILE A 72 5.984 -4.949 -8.644 1.00 0.00 H new ATOM 0 HB ILE A 72 6.694 -4.121 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.347 -2.285 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.072 -3.935 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.851 -1.756 -7.062 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.193 -2.860 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.616 -2.043 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.639 -2.498 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.899 -3.731 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.177 -2.055 -4.670 1.00 0.00 H new ATOM 1135 N HIS A 73 3.762 -6.100 -6.523 1.00 0.00 N ATOM 1136 CA HIS A 73 3.380 -7.267 -5.732 1.00 0.00 C ATOM 1137 C HIS A 73 3.716 -8.561 -6.469 1.00 0.00 C ATOM 1138 O HIS A 73 4.375 -9.440 -5.917 1.00 0.00 O ATOM 1139 CB HIS A 73 1.884 -7.230 -5.407 1.00 0.00 C ATOM 1140 CG HIS A 73 1.577 -7.530 -3.974 1.00 0.00 C ATOM 1141 ND1 HIS A 73 0.555 -7.125 -3.183 1.00 0.00 N flip ATOM 1142 CD2 HIS A 73 2.369 -8.340 -3.188 1.00 0.00 C flip ATOM 1143 CE1 HIS A 73 0.749 -7.690 -1.947 1.00 0.00 C flip ATOM 1144 NE2 HIS A 73 1.849 -8.419 -1.976 1.00 0.00 N flip ATOM 0 H HIS A 73 3.031 -5.394 -6.615 1.00 0.00 H new ATOM 0 HA HIS A 73 3.947 -7.239 -4.802 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.490 -6.244 -5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.365 -7.950 -6.040 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.273 -8.833 -3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.106 -7.559 -1.089 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.232 -8.952 -1.196 1.00 0.00 H new ATOM 1153 N ASP A 74 3.277 -8.667 -7.716 1.00 0.00 N ATOM 1154 CA ASP A 74 3.558 -9.855 -8.514 1.00 0.00 C ATOM 1155 C ASP A 74 5.015 -9.870 -8.937 1.00 0.00 C ATOM 1156 O ASP A 74 5.615 -10.934 -9.089 1.00 0.00 O ATOM 1157 CB ASP A 74 2.645 -9.918 -9.739 1.00 0.00 C ATOM 1158 CG ASP A 74 2.195 -11.330 -10.054 1.00 0.00 C ATOM 1159 OD1 ASP A 74 2.014 -12.122 -9.104 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.021 -11.646 -11.250 1.00 0.00 O ATOM 0 H ASP A 74 2.729 -7.952 -8.195 1.00 0.00 H new ATOM 0 HA ASP A 74 3.362 -10.734 -7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.770 -9.291 -9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.170 -9.506 -10.601 1.00 0.00 H new ATOM 1165 N THR A 75 5.594 -8.686 -9.092 1.00 0.00 N ATOM 1166 CA THR A 75 6.994 -8.589 -9.458 1.00 0.00 C ATOM 1167 C THR A 75 7.846 -9.177 -8.342 1.00 0.00 C ATOM 1168 O THR A 75 9.002 -9.542 -8.549 1.00 0.00 O ATOM 1169 CB THR A 75 7.388 -7.133 -9.720 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.587 -6.576 -10.747 1.00 0.00 O ATOM 1171 CG2 THR A 75 8.836 -6.969 -10.125 1.00 0.00 C ATOM 0 H THR A 75 5.119 -7.791 -8.971 1.00 0.00 H new ATOM 0 HA THR A 75 7.161 -9.151 -10.377 1.00 0.00 H new ATOM 0 HB THR A 75 7.233 -6.615 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.677 -6.434 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.049 -5.914 -10.295 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.481 -7.346 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.023 -7.529 -11.041 1.00 0.00 H new ATOM 1179 N GLU A 76 7.246 -9.287 -7.157 1.00 0.00 N ATOM 1180 CA GLU A 76 7.924 -9.852 -6.009 1.00 0.00 C ATOM 1181 C GLU A 76 6.944 -10.148 -4.888 1.00 0.00 C ATOM 1182 O GLU A 76 6.971 -9.514 -3.834 1.00 0.00 O ATOM 1183 CB GLU A 76 9.035 -8.923 -5.517 1.00 0.00 C ATOM 1184 CG GLU A 76 8.594 -7.475 -5.365 1.00 0.00 C ATOM 1185 CD GLU A 76 8.831 -6.937 -3.968 1.00 0.00 C ATOM 1186 OE1 GLU A 76 9.829 -7.342 -3.335 1.00 0.00 O ATOM 1187 OE2 GLU A 76 8.018 -6.106 -3.505 1.00 0.00 O ATOM 0 H GLU A 76 6.288 -8.989 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 76 8.378 -10.792 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.402 -9.285 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.871 -8.968 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.132 -6.858 -6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.534 -7.395 -5.606 1.00 0.00 H new ATOM 1194 N PHE A 77 6.081 -11.127 -5.126 1.00 0.00 N ATOM 1195 CA PHE A 77 5.095 -11.527 -4.132 1.00 0.00 C ATOM 1196 C PHE A 77 5.790 -12.059 -2.890 1.00 0.00 C ATOM 1197 O PHE A 77 6.168 -13.224 -2.832 1.00 0.00 O ATOM 1198 CB PHE A 77 4.152 -12.586 -4.708 1.00 0.00 C ATOM 1199 CG PHE A 77 2.700 -12.279 -4.480 1.00 0.00 C ATOM 1200 CD1 PHE A 77 2.032 -11.379 -5.296 1.00 0.00 C ATOM 1201 CD2 PHE A 77 2.003 -12.888 -3.449 1.00 0.00 C ATOM 1202 CE1 PHE A 77 0.696 -11.093 -5.088 1.00 0.00 C ATOM 1203 CE2 PHE A 77 0.667 -12.605 -3.236 1.00 0.00 C ATOM 1204 CZ PHE A 77 0.013 -11.707 -4.057 1.00 0.00 C ATOM 0 H PHE A 77 6.044 -11.657 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 77 4.505 -10.653 -3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.332 -12.678 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.386 -13.552 -4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.562 -10.896 -6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.509 -13.592 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.187 -10.390 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.135 -13.086 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.031 -11.485 -3.893 1.00 0.00 H new ATOM 1214 N ILE A 78 5.970 -11.189 -1.903 1.00 0.00 N ATOM 1215 CA ILE A 78 6.645 -11.573 -0.668 1.00 0.00 C ATOM 1216 C ILE A 78 5.692 -11.576 0.527 1.00 0.00 C ATOM 1217 O ILE A 78 4.685 -10.868 0.539 1.00 0.00 O ATOM 1218 CB ILE A 78 7.853 -10.654 -0.379 1.00 0.00 C ATOM 1219 CG1 ILE A 78 7.402 -9.270 0.123 1.00 0.00 C ATOM 1220 CG2 ILE A 78 8.715 -10.521 -1.628 1.00 0.00 C ATOM 1221 CD1 ILE A 78 6.819 -8.375 -0.952 1.00 0.00 C ATOM 0 H ILE A 78 5.660 -10.218 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 78 7.007 -12.591 -0.813 1.00 0.00 H new ATOM 0 HB ILE A 78 8.446 -11.110 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.658 -9.406 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.255 -8.765 0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.565 -9.872 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.076 -11.505 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.122 -10.091 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.528 -7.421 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.566 -8.204 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.944 -8.855 -1.390 1.00 0.00 H new ATOM 1233 N LEU A 79 6.014 -12.406 1.516 1.00 0.00 N ATOM 1234 CA LEU A 79 5.195 -12.551 2.716 1.00 0.00 C ATOM 1235 C LEU A 79 5.166 -11.282 3.562 1.00 0.00 C ATOM 1236 O LEU A 79 4.107 -10.870 4.034 1.00 0.00 O ATOM 1237 CB LEU A 79 5.715 -13.713 3.565 1.00 0.00 C ATOM 1238 CG LEU A 79 4.648 -14.463 4.365 1.00 0.00 C ATOM 1239 CD1 LEU A 79 3.793 -13.491 5.162 1.00 0.00 C ATOM 1240 CD2 LEU A 79 3.782 -15.303 3.440 1.00 0.00 C ATOM 0 H LEU A 79 6.847 -12.995 1.508 1.00 0.00 H new ATOM 0 HA LEU A 79 4.176 -12.750 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.221 -14.422 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.463 -13.329 4.258 1.00 0.00 H new ATOM 0 HG LEU A 79 5.150 -15.130 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.041 -14.044 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.425 -12.933 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.300 -12.797 4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.029 -15.830 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.290 -14.655 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.406 -16.027 2.916 1.00 0.00 H new ATOM 1252 N PHE A 80 6.329 -10.676 3.777 1.00 0.00 N ATOM 1253 CA PHE A 80 6.408 -9.472 4.598 1.00 0.00 C ATOM 1254 C PHE A 80 6.948 -8.290 3.815 1.00 0.00 C ATOM 1255 O PHE A 80 7.791 -8.443 2.930 1.00 0.00 O ATOM 1256 CB PHE A 80 7.295 -9.730 5.823 1.00 0.00 C ATOM 1257 CG PHE A 80 7.763 -8.485 6.539 1.00 0.00 C ATOM 1258 CD1 PHE A 80 8.759 -7.688 5.993 1.00 0.00 C ATOM 1259 CD2 PHE A 80 7.215 -8.119 7.758 1.00 0.00 C ATOM 1260 CE1 PHE A 80 9.194 -6.550 6.647 1.00 0.00 C ATOM 1261 CE2 PHE A 80 7.647 -6.983 8.416 1.00 0.00 C ATOM 1262 CZ PHE A 80 8.638 -6.199 7.860 1.00 0.00 C ATOM 0 H PHE A 80 7.221 -10.994 3.399 1.00 0.00 H new ATOM 0 HA PHE A 80 5.396 -9.226 4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.744 -10.353 6.528 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.168 -10.301 5.508 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.200 -7.960 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.441 -8.729 8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.968 -5.937 6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.210 -6.709 9.365 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.978 -5.312 8.374 1.00 0.00 H new ATOM 1272 N SER A 81 6.469 -7.106 4.168 1.00 0.00 N ATOM 1273 CA SER A 81 6.917 -5.890 3.522 1.00 0.00 C ATOM 1274 C SER A 81 6.754 -4.684 4.440 1.00 0.00 C ATOM 1275 O SER A 81 5.683 -4.460 5.004 1.00 0.00 O ATOM 1276 CB SER A 81 6.152 -5.664 2.217 1.00 0.00 C ATOM 1277 OG SER A 81 6.636 -4.520 1.533 1.00 0.00 O ATOM 0 H SER A 81 5.771 -6.966 4.898 1.00 0.00 H new ATOM 0 HA SER A 81 7.977 -6.005 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.249 -6.542 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.090 -5.542 2.431 1.00 0.00 H new ATOM 0 HG SER A 81 6.132 -4.398 0.701 1.00 0.00 H new ATOM 1283 N LYS A 82 7.817 -3.897 4.565 1.00 0.00 N ATOM 1284 CA LYS A 82 7.787 -2.697 5.392 1.00 0.00 C ATOM 1285 C LYS A 82 7.376 -1.511 4.535 1.00 0.00 C ATOM 1286 O LYS A 82 7.688 -1.469 3.345 1.00 0.00 O ATOM 1287 CB LYS A 82 9.157 -2.444 6.025 1.00 0.00 C ATOM 1288 CG LYS A 82 9.094 -1.628 7.307 1.00 0.00 C ATOM 1289 CD LYS A 82 9.796 -2.334 8.456 1.00 0.00 C ATOM 1290 CE LYS A 82 9.729 -1.517 9.737 1.00 0.00 C ATOM 1291 NZ LYS A 82 9.746 -2.381 10.949 1.00 0.00 N ATOM 0 H LYS A 82 8.710 -4.069 4.104 1.00 0.00 H new ATOM 0 HA LYS A 82 7.064 -2.834 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.633 -3.402 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.790 -1.926 5.305 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.555 -0.654 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.053 -1.447 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.337 -3.309 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.838 -2.513 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.572 -0.827 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.822 -0.913 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.699 -1.786 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.928 -3.023 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.623 -2.939 10.965 1.00 0.00 H new ATOM 1305 N PHE A 83 6.661 -0.555 5.118 1.00 0.00 N ATOM 1306 CA PHE A 83 6.215 0.597 4.346 1.00 0.00 C ATOM 1307 C PHE A 83 6.802 1.904 4.850 1.00 0.00 C ATOM 1308 O PHE A 83 6.587 2.317 5.990 1.00 0.00 O ATOM 1309 CB PHE A 83 4.687 0.686 4.362 1.00 0.00 C ATOM 1310 CG PHE A 83 4.001 -0.637 4.174 1.00 0.00 C ATOM 1311 CD1 PHE A 83 3.995 -1.260 2.935 1.00 0.00 C ATOM 1312 CD2 PHE A 83 3.363 -1.258 5.235 1.00 0.00 C ATOM 1313 CE1 PHE A 83 3.363 -2.477 2.760 1.00 0.00 C ATOM 1314 CE2 PHE A 83 2.729 -2.475 5.065 1.00 0.00 C ATOM 1315 CZ PHE A 83 2.729 -3.085 3.826 1.00 0.00 C ATOM 0 H PHE A 83 6.383 -0.553 6.099 1.00 0.00 H new ATOM 0 HA PHE A 83 6.572 0.448 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.367 1.119 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.364 1.367 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.489 -0.789 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.361 -0.786 6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.365 -2.952 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.234 -2.948 5.900 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.234 -4.035 3.691 1.00 0.00 H new ATOM 1325 N LYS A 84 7.501 2.566 3.944 1.00 0.00 N ATOM 1326 CA LYS A 84 8.099 3.862 4.194 1.00 0.00 C ATOM 1327 C LYS A 84 7.760 4.745 3.003 1.00 0.00 C ATOM 1328 O LYS A 84 7.826 4.285 1.867 1.00 0.00 O ATOM 1329 CB LYS A 84 9.616 3.731 4.409 1.00 0.00 C ATOM 1330 CG LYS A 84 10.476 4.514 3.424 1.00 0.00 C ATOM 1331 CD LYS A 84 11.887 4.729 3.956 1.00 0.00 C ATOM 1332 CE LYS A 84 12.545 3.419 4.367 1.00 0.00 C ATOM 1333 NZ LYS A 84 13.777 3.646 5.171 1.00 0.00 N ATOM 0 H LYS A 84 7.670 2.212 3.002 1.00 0.00 H new ATOM 0 HA LYS A 84 7.706 4.309 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.855 4.062 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.887 2.677 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.522 3.979 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.012 5.479 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.493 5.215 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.853 5.403 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.839 2.823 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.794 2.842 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.195 2.730 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.462 4.193 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.536 4.174 6.034 1.00 0.00 H new ATOM 1347 N VAL A 85 7.360 5.982 3.244 1.00 0.00 N ATOM 1348 CA VAL A 85 6.982 6.861 2.142 1.00 0.00 C ATOM 1349 C VAL A 85 7.636 8.228 2.236 1.00 0.00 C ATOM 1350 O VAL A 85 7.935 8.732 3.319 1.00 0.00 O ATOM 1351 CB VAL A 85 5.451 7.002 2.027 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.798 6.982 3.395 1.00 0.00 C ATOM 1353 CG2 VAL A 85 5.052 8.255 1.272 1.00 0.00 C ATOM 0 H VAL A 85 7.288 6.398 4.173 1.00 0.00 H new ATOM 0 HA VAL A 85 7.353 6.385 1.234 1.00 0.00 H new ATOM 0 HB VAL A 85 5.095 6.144 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.718 7.083 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.025 6.039 3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.180 7.809 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.965 8.315 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.436 9.132 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.467 8.221 0.265 1.00 0.00 H new ATOM 1363 N LYS A 86 7.868 8.799 1.066 1.00 0.00 N ATOM 1364 CA LYS A 86 8.505 10.091 0.934 1.00 0.00 C ATOM 1365 C LYS A 86 7.684 10.997 0.022 1.00 0.00 C ATOM 1366 O LYS A 86 7.488 10.686 -1.148 1.00 0.00 O ATOM 1367 CB LYS A 86 9.892 9.883 0.333 1.00 0.00 C ATOM 1368 CG LYS A 86 10.932 10.880 0.818 1.00 0.00 C ATOM 1369 CD LYS A 86 12.230 10.755 0.037 1.00 0.00 C ATOM 1370 CE LYS A 86 12.259 11.705 -1.150 1.00 0.00 C ATOM 1371 NZ LYS A 86 13.577 11.687 -1.844 1.00 0.00 N ATOM 0 H LYS A 86 7.616 8.372 0.175 1.00 0.00 H new ATOM 0 HA LYS A 86 8.581 10.564 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.232 8.875 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.820 9.948 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.542 11.893 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.127 10.718 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.073 10.966 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.348 9.730 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.474 11.430 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.042 12.718 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.556 12.348 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.323 11.974 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.773 10.727 -2.191 1.00 0.00 H new ATOM 1385 N ILE A 87 7.212 12.119 0.548 1.00 0.00 N ATOM 1386 CA ILE A 87 6.425 13.043 -0.260 1.00 0.00 C ATOM 1387 C ILE A 87 7.136 14.378 -0.416 1.00 0.00 C ATOM 1388 O ILE A 87 7.503 15.018 0.570 1.00 0.00 O ATOM 1389 CB ILE A 87 5.022 13.276 0.329 1.00 0.00 C ATOM 1390 CG1 ILE A 87 4.374 11.939 0.698 1.00 0.00 C ATOM 1391 CG2 ILE A 87 4.162 14.030 -0.673 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.919 12.054 1.107 1.00 0.00 C ATOM 0 H ILE A 87 7.357 12.409 1.515 1.00 0.00 H new ATOM 0 HA ILE A 87 6.312 12.578 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 87 5.110 13.875 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.450 11.263 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.936 11.487 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.170 14.192 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.623 14.992 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.076 13.447 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.531 11.066 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.836 12.704 1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.342 12.476 0.284 1.00 0.00 H new ATOM 1404 N ASP A 88 7.340 14.789 -1.664 1.00 0.00 N ATOM 1405 CA ASP A 88 8.019 16.039 -1.950 1.00 0.00 C ATOM 1406 C ASP A 88 7.246 16.864 -2.967 1.00 0.00 C ATOM 1407 O ASP A 88 6.995 16.413 -4.084 1.00 0.00 O ATOM 1408 CB ASP A 88 9.422 15.756 -2.484 1.00 0.00 C ATOM 1409 CG ASP A 88 10.244 17.019 -2.654 1.00 0.00 C ATOM 1410 OD1 ASP A 88 9.947 17.800 -3.584 1.00 0.00 O ATOM 1411 OD2 ASP A 88 11.183 17.228 -1.859 1.00 0.00 O ATOM 0 H ASP A 88 7.043 14.271 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 88 8.084 16.608 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.937 15.080 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.346 15.244 -3.443 1.00 0.00 H new ATOM 1416 N GLU A 89 6.894 18.086 -2.589 1.00 0.00 N ATOM 1417 CA GLU A 89 6.180 18.975 -3.492 1.00 0.00 C ATOM 1418 C GLU A 89 7.159 19.543 -4.491 1.00 0.00 C ATOM 1419 O GLU A 89 8.077 20.283 -4.136 1.00 0.00 O ATOM 1420 CB GLU A 89 5.494 20.102 -2.715 1.00 0.00 C ATOM 1421 CG GLU A 89 6.397 20.776 -1.695 1.00 0.00 C ATOM 1422 CD GLU A 89 6.048 22.236 -1.482 1.00 0.00 C ATOM 1423 OE1 GLU A 89 6.006 22.987 -2.479 1.00 0.00 O ATOM 1424 OE2 GLU A 89 5.818 22.627 -0.319 1.00 0.00 O ATOM 0 H GLU A 89 7.090 18.481 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 89 5.406 18.414 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.134 20.851 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.620 19.699 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.324 20.247 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.433 20.698 -2.025 1.00 0.00 H new ATOM 1431 N LYS A 90 6.969 19.173 -5.743 1.00 0.00 N ATOM 1432 CA LYS A 90 7.844 19.624 -6.802 1.00 0.00 C ATOM 1433 C LYS A 90 7.557 21.067 -7.145 1.00 0.00 C ATOM 1434 O LYS A 90 6.833 21.753 -6.422 1.00 0.00 O ATOM 1435 CB LYS A 90 7.690 18.731 -8.038 1.00 0.00 C ATOM 1436 CG LYS A 90 8.279 17.338 -7.859 1.00 0.00 C ATOM 1437 CD LYS A 90 9.606 17.386 -7.118 1.00 0.00 C ATOM 1438 CE LYS A 90 10.601 16.387 -7.689 1.00 0.00 C ATOM 1439 NZ LYS A 90 10.687 15.152 -6.859 1.00 0.00 N ATOM 0 H LYS A 90 6.214 18.560 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 90 8.875 19.554 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.631 18.641 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.172 19.214 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.576 16.712 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.422 16.874 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.022 18.391 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.442 17.174 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.307 16.122 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.585 16.851 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.725 14.318 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.545 15.187 -6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.850 15.088 -6.244 1.00 0.00 H new ATOM 1453 N ASP A 91 8.137 21.537 -8.236 1.00 0.00 N ATOM 1454 CA ASP A 91 7.947 22.912 -8.655 1.00 0.00 C ATOM 1455 C ASP A 91 6.464 23.255 -8.854 1.00 0.00 C ATOM 1456 O ASP A 91 6.138 24.359 -9.289 1.00 0.00 O ATOM 1457 CB ASP A 91 8.720 23.184 -9.945 1.00 0.00 C ATOM 1458 CG ASP A 91 9.009 24.659 -10.147 1.00 0.00 C ATOM 1459 OD1 ASP A 91 9.226 25.365 -9.139 1.00 0.00 O ATOM 1460 OD2 ASP A 91 9.017 25.109 -11.312 1.00 0.00 O ATOM 0 H ASP A 91 8.742 20.987 -8.846 1.00 0.00 H new ATOM 0 HA ASP A 91 8.330 23.549 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.660 22.632 -9.925 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.148 22.809 -10.794 1.00 0.00 H new ATOM 1465 N ASP A 92 5.567 22.312 -8.538 1.00 0.00 N ATOM 1466 CA ASP A 92 4.131 22.530 -8.689 1.00 0.00 C ATOM 1467 C ASP A 92 3.372 21.229 -8.462 1.00 0.00 C ATOM 1468 O ASP A 92 2.244 21.232 -7.967 1.00 0.00 O ATOM 1469 CB ASP A 92 3.806 23.077 -10.082 1.00 0.00 C ATOM 1470 CG ASP A 92 4.427 22.245 -11.189 1.00 0.00 C ATOM 1471 OD1 ASP A 92 5.635 21.940 -11.097 1.00 0.00 O ATOM 1472 OD2 ASP A 92 3.706 21.900 -12.148 1.00 0.00 O ATOM 0 H ASP A 92 5.815 21.391 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 92 3.822 23.263 -7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.725 23.105 -10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.163 24.104 -10.159 1.00 0.00 H new ATOM 1477 N GLY A 93 3.998 20.117 -8.835 1.00 0.00 N ATOM 1478 CA GLY A 93 3.370 18.821 -8.677 1.00 0.00 C ATOM 1479 C GLY A 93 3.683 18.165 -7.349 1.00 0.00 C ATOM 1480 O GLY A 93 4.021 18.836 -6.375 1.00 0.00 O ATOM 0 H GLY A 93 4.932 20.092 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.290 18.933 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.696 18.166 -9.485 1.00 0.00 H new ATOM 1484 N LEU A 94 3.546 16.846 -7.317 1.00 0.00 N ATOM 1485 CA LEU A 94 3.783 16.066 -6.111 1.00 0.00 C ATOM 1486 C LEU A 94 4.596 14.806 -6.422 1.00 0.00 C ATOM 1487 O LEU A 94 4.443 14.206 -7.484 1.00 0.00 O ATOM 1488 CB LEU A 94 2.434 15.675 -5.491 1.00 0.00 C ATOM 1489 CG LEU A 94 2.113 16.244 -4.100 1.00 0.00 C ATOM 1490 CD1 LEU A 94 2.315 15.178 -3.037 1.00 0.00 C ATOM 1491 CD2 LEU A 94 2.947 17.478 -3.781 1.00 0.00 C ATOM 0 H LEU A 94 3.268 16.288 -8.125 1.00 0.00 H new ATOM 0 HA LEU A 94 4.355 16.672 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.644 15.987 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.392 14.588 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 94 1.067 16.552 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.084 15.594 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.655 14.334 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.351 14.840 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.687 17.846 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.005 17.218 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.746 18.254 -4.520 1.00 0.00 H new ATOM 1503 N HIS A 95 5.455 14.411 -5.486 1.00 0.00 N ATOM 1504 CA HIS A 95 6.282 13.217 -5.656 1.00 0.00 C ATOM 1505 C HIS A 95 6.132 12.279 -4.463 1.00 0.00 C ATOM 1506 O HIS A 95 5.990 12.724 -3.326 1.00 0.00 O ATOM 1507 CB HIS A 95 7.751 13.608 -5.843 1.00 0.00 C ATOM 1508 CG HIS A 95 8.265 13.359 -7.227 1.00 0.00 C ATOM 1509 ND1 HIS A 95 7.982 14.184 -8.296 1.00 0.00 N ATOM 1510 CD2 HIS A 95 9.051 12.371 -7.715 1.00 0.00 C ATOM 1511 CE1 HIS A 95 8.570 13.712 -9.381 1.00 0.00 C ATOM 1512 NE2 HIS A 95 9.226 12.613 -9.056 1.00 0.00 N ATOM 0 H HIS A 95 5.597 14.899 -4.602 1.00 0.00 H new ATOM 0 HA HIS A 95 5.943 12.692 -6.549 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.870 14.665 -5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.360 13.050 -5.132 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.464 11.546 -7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.522 14.151 -10.367 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.773 12.038 -9.696 1.00 0.00 H new ATOM 1521 N LEU A 96 6.156 10.981 -4.736 1.00 0.00 N ATOM 1522 CA LEU A 96 6.014 9.967 -3.696 1.00 0.00 C ATOM 1523 C LEU A 96 7.153 8.951 -3.775 1.00 0.00 C ATOM 1524 O LEU A 96 7.375 8.338 -4.817 1.00 0.00 O ATOM 1525 CB LEU A 96 4.653 9.279 -3.859 1.00 0.00 C ATOM 1526 CG LEU A 96 4.277 8.198 -2.833 1.00 0.00 C ATOM 1527 CD1 LEU A 96 5.362 7.142 -2.670 1.00 0.00 C ATOM 1528 CD2 LEU A 96 3.964 8.834 -1.503 1.00 0.00 C ATOM 0 H LEU A 96 6.273 10.602 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 96 6.065 10.439 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.882 10.049 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.621 8.827 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 96 3.392 7.688 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.044 6.404 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.536 6.649 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.284 7.616 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.699 8.060 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.838 9.378 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.128 9.525 -1.618 1.00 0.00 H new ATOM 1540 N THR A 97 7.859 8.757 -2.665 1.00 0.00 N ATOM 1541 CA THR A 97 8.948 7.785 -2.622 1.00 0.00 C ATOM 1542 C THR A 97 8.721 6.805 -1.480 1.00 0.00 C ATOM 1543 O THR A 97 8.648 7.192 -0.321 1.00 0.00 O ATOM 1544 CB THR A 97 10.306 8.475 -2.487 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.210 9.846 -2.833 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.376 7.858 -3.361 1.00 0.00 C ATOM 0 H THR A 97 7.699 9.255 -1.789 1.00 0.00 H new ATOM 0 HA THR A 97 8.956 7.235 -3.563 1.00 0.00 H new ATOM 0 HB THR A 97 10.591 8.351 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 97 10.916 10.072 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.315 8.393 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.510 6.811 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.075 7.925 -4.406 1.00 0.00 H new ATOM 1554 N GLY A 98 8.596 5.539 -1.819 1.00 0.00 N ATOM 1555 CA GLY A 98 8.350 4.516 -0.814 1.00 0.00 C ATOM 1556 C GLY A 98 9.350 3.375 -0.846 1.00 0.00 C ATOM 1557 O GLY A 98 9.882 3.031 -1.901 1.00 0.00 O ATOM 0 H GLY A 98 8.660 5.191 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.370 4.977 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.348 4.113 -0.957 1.00 0.00 H new ATOM 1561 N THR A 99 9.611 2.796 0.326 1.00 0.00 N ATOM 1562 CA THR A 99 10.562 1.693 0.455 1.00 0.00 C ATOM 1563 C THR A 99 9.895 0.423 0.983 1.00 0.00 C ATOM 1564 O THR A 99 9.023 0.482 1.850 1.00 0.00 O ATOM 1565 CB THR A 99 11.686 2.093 1.404 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.170 3.388 1.092 1.00 0.00 O ATOM 1567 CG2 THR A 99 12.862 1.141 1.375 1.00 0.00 C ATOM 0 H THR A 99 9.174 3.075 1.204 1.00 0.00 H new ATOM 0 HA THR A 99 10.957 1.483 -0.539 1.00 0.00 H new ATOM 0 HB THR A 99 11.245 2.067 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 99 13.118 3.450 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.625 1.484 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.530 0.143 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.279 1.108 0.368 1.00 0.00 H new ATOM 1575 N ALA A 100 10.328 -0.727 0.468 1.00 0.00 N ATOM 1576 CA ALA A 100 9.795 -2.016 0.899 1.00 0.00 C ATOM 1577 C ALA A 100 10.926 -3.015 1.136 1.00 0.00 C ATOM 1578 O ALA A 100 11.826 -3.148 0.311 1.00 0.00 O ATOM 1579 CB ALA A 100 8.816 -2.556 -0.134 1.00 0.00 C ATOM 0 H ALA A 100 11.049 -0.791 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 100 9.264 -1.871 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.427 -3.517 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.992 -1.854 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.328 -2.684 -1.088 1.00 0.00 H new ATOM 1585 N MET A 101 10.881 -3.712 2.269 1.00 0.00 N ATOM 1586 CA MET A 101 11.914 -4.690 2.608 1.00 0.00 C ATOM 1587 C MET A 101 11.300 -6.023 3.029 1.00 0.00 C ATOM 1588 O MET A 101 10.155 -6.071 3.475 1.00 0.00 O ATOM 1589 CB MET A 101 12.810 -4.152 3.724 1.00 0.00 C ATOM 1590 CG MET A 101 12.041 -3.721 4.963 1.00 0.00 C ATOM 1591 SD MET A 101 13.124 -3.335 6.353 1.00 0.00 S ATOM 1592 CE MET A 101 13.227 -1.553 6.217 1.00 0.00 C ATOM 0 H MET A 101 10.143 -3.619 2.967 1.00 0.00 H new ATOM 0 HA MET A 101 12.516 -4.860 1.716 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.531 -4.920 4.002 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.379 -3.303 3.345 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.436 -2.846 4.725 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.353 -4.515 5.253 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.865 -1.164 7.011 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.649 -1.286 5.248 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.230 -1.123 6.309 1.00 0.00 H new ATOM 1602 N GLY A 102 12.063 -7.107 2.881 1.00 0.00 N ATOM 1603 CA GLY A 102 11.556 -8.415 3.248 1.00 0.00 C ATOM 1604 C GLY A 102 11.027 -9.172 2.052 1.00 0.00 C ATOM 1605 O GLY A 102 9.834 -9.456 1.964 1.00 0.00 O ATOM 0 H GLY A 102 13.015 -7.100 2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.351 -8.993 3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.762 -8.302 3.986 1.00 0.00 H new ATOM 1609 N GLU A 103 11.917 -9.486 1.119 1.00 0.00 N ATOM 1610 CA GLU A 103 11.529 -10.198 -0.088 1.00 0.00 C ATOM 1611 C GLU A 103 12.051 -11.634 -0.085 1.00 0.00 C ATOM 1612 O GLU A 103 13.259 -11.870 -0.083 1.00 0.00 O ATOM 1613 CB GLU A 103 12.033 -9.442 -1.322 1.00 0.00 C ATOM 1614 CG GLU A 103 11.917 -10.226 -2.621 1.00 0.00 C ATOM 1615 CD GLU A 103 12.529 -9.494 -3.800 1.00 0.00 C ATOM 1616 OE1 GLU A 103 12.229 -8.294 -3.974 1.00 0.00 O ATOM 1617 OE2 GLU A 103 13.308 -10.121 -4.549 1.00 0.00 O ATOM 0 H GLU A 103 12.910 -9.259 1.176 1.00 0.00 H new ATOM 0 HA GLU A 103 10.441 -10.248 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.472 -8.513 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.077 -9.169 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.408 -11.192 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.866 -10.426 -2.828 1.00 0.00 H new ATOM 1624 N GLU A 104 11.122 -12.590 -0.089 1.00 0.00 N ATOM 1625 CA GLU A 104 11.469 -14.008 -0.093 1.00 0.00 C ATOM 1626 C GLU A 104 10.213 -14.871 0.014 1.00 0.00 C ATOM 1627 O GLU A 104 9.808 -15.259 1.110 1.00 0.00 O ATOM 1628 CB GLU A 104 12.426 -14.331 1.059 1.00 0.00 C ATOM 1629 CG GLU A 104 13.638 -15.142 0.631 1.00 0.00 C ATOM 1630 CD GLU A 104 14.884 -14.290 0.478 1.00 0.00 C ATOM 1631 OE1 GLU A 104 15.225 -13.561 1.433 1.00 0.00 O ATOM 1632 OE2 GLU A 104 15.519 -14.354 -0.595 1.00 0.00 O ATOM 0 H GLU A 104 10.119 -12.405 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 104 11.967 -14.232 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.764 -13.399 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.884 -14.881 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.825 -15.925 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.423 -15.638 -0.315 1.00 0.00 H new ATOM 1639 N ILE A 105 9.598 -15.167 -1.129 1.00 0.00 N ATOM 1640 CA ILE A 105 8.388 -15.981 -1.154 1.00 0.00 C ATOM 1641 C ILE A 105 8.714 -17.466 -1.024 1.00 0.00 C ATOM 1642 O ILE A 105 9.658 -17.961 -1.641 1.00 0.00 O ATOM 1643 CB ILE A 105 7.573 -15.759 -2.448 1.00 0.00 C ATOM 1644 CG1 ILE A 105 6.212 -16.451 -2.341 1.00 0.00 C ATOM 1645 CG2 ILE A 105 8.334 -16.278 -3.659 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.108 -15.733 -3.085 1.00 0.00 C ATOM 0 H ILE A 105 9.917 -14.856 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 105 7.789 -15.666 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 105 7.415 -14.688 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.299 -17.466 -2.728 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.937 -16.533 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 105 7.742 -16.112 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.283 -15.750 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 105 8.522 -17.345 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.173 -16.280 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.994 -14.726 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.361 -15.675 -4.144 1.00 0.00 H new ATOM 1658 N LYS A 106 7.922 -18.171 -0.225 1.00 0.00 N ATOM 1659 CA LYS A 106 8.118 -19.601 -0.021 1.00 0.00 C ATOM 1660 C LYS A 106 7.084 -20.401 -0.804 1.00 0.00 C ATOM 1661 O LYS A 106 6.105 -19.846 -1.301 1.00 0.00 O ATOM 1662 CB LYS A 106 8.026 -19.943 1.468 1.00 0.00 C ATOM 1663 CG LYS A 106 9.332 -19.753 2.219 1.00 0.00 C ATOM 1664 CD LYS A 106 9.330 -20.504 3.541 1.00 0.00 C ATOM 1665 CE LYS A 106 10.098 -21.813 3.440 1.00 0.00 C ATOM 1666 NZ LYS A 106 11.532 -21.645 3.805 1.00 0.00 N ATOM 0 H LYS A 106 7.137 -17.775 0.293 1.00 0.00 H new ATOM 0 HA LYS A 106 9.111 -19.866 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.259 -19.321 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.703 -20.979 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.161 -20.101 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.496 -18.691 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.774 -19.879 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.303 -20.706 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.641 -22.554 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.025 -22.199 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.020 -22.560 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.975 -20.957 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.603 -21.301 4.784 1.00 0.00 H new ATOM 1680 N GLU A 107 7.306 -21.706 -0.912 1.00 0.00 N ATOM 1681 CA GLU A 107 6.387 -22.575 -1.637 1.00 0.00 C ATOM 1682 C GLU A 107 4.993 -22.526 -1.018 1.00 0.00 C ATOM 1683 O GLU A 107 3.991 -22.429 -1.727 1.00 0.00 O ATOM 1684 CB GLU A 107 6.907 -24.013 -1.643 1.00 0.00 C ATOM 1685 CG GLU A 107 8.064 -24.237 -2.604 1.00 0.00 C ATOM 1686 CD GLU A 107 9.305 -24.768 -1.912 1.00 0.00 C ATOM 1687 OE1 GLU A 107 9.200 -25.801 -1.218 1.00 0.00 O ATOM 1688 OE2 GLU A 107 10.379 -24.151 -2.063 1.00 0.00 O ATOM 0 H GLU A 107 8.111 -22.184 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 107 6.322 -22.218 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.226 -24.280 -0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.090 -24.685 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.757 -24.939 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.304 -23.298 -3.102 1.00 0.00 H new ATOM 1695 N GLY A 108 4.938 -22.589 0.309 1.00 0.00 N ATOM 1696 CA GLY A 108 3.664 -22.546 1.002 1.00 0.00 C ATOM 1697 C GLY A 108 3.409 -21.201 1.655 1.00 0.00 C ATOM 1698 O GLY A 108 3.336 -21.102 2.880 1.00 0.00 O ATOM 0 H GLY A 108 5.753 -22.669 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.862 -22.763 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.640 -23.327 1.762 1.00 0.00 H new ATOM 1702 N HIS A 109 3.278 -20.166 0.833 1.00 0.00 N ATOM 1703 CA HIS A 109 3.034 -18.816 1.330 1.00 0.00 C ATOM 1704 C HIS A 109 1.719 -18.742 2.102 1.00 0.00 C ATOM 1705 O HIS A 109 0.746 -19.413 1.758 1.00 0.00 O ATOM 1706 CB HIS A 109 3.019 -17.824 0.163 1.00 0.00 C ATOM 1707 CG HIS A 109 3.995 -16.701 0.318 1.00 0.00 C ATOM 1708 ND1 HIS A 109 3.865 -15.499 -0.342 1.00 0.00 N ATOM 1709 CD2 HIS A 109 5.126 -16.603 1.055 1.00 0.00 C ATOM 1710 CE1 HIS A 109 4.873 -14.711 -0.019 1.00 0.00 C ATOM 1711 NE2 HIS A 109 5.653 -15.356 0.828 1.00 0.00 N ATOM 0 H HIS A 109 3.337 -20.236 -0.183 1.00 0.00 H new ATOM 0 HA HIS A 109 3.841 -18.553 2.014 1.00 0.00 H new ATOM 0 HB2 HIS A 109 3.238 -18.360 -0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 109 2.016 -17.411 0.062 1.00 0.00 H new ATOM 0 HD1 HIS A 109 3.108 -15.256 -0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.537 -17.364 1.701 1.00 0.00 H new ATOM 0 HE1 HIS A 109 5.033 -13.708 -0.386 1.00 0.00 H new ATOM 1720 N GLU A 110 1.698 -17.919 3.148 1.00 0.00 N ATOM 1721 CA GLU A 110 0.504 -17.753 3.973 1.00 0.00 C ATOM 1722 C GLU A 110 -0.462 -16.757 3.340 1.00 0.00 C ATOM 1723 O GLU A 110 -0.205 -15.554 3.320 1.00 0.00 O ATOM 1724 CB GLU A 110 0.892 -17.284 5.378 1.00 0.00 C ATOM 1725 CG GLU A 110 1.073 -18.422 6.370 1.00 0.00 C ATOM 1726 CD GLU A 110 2.382 -18.333 7.130 1.00 0.00 C ATOM 1727 OE1 GLU A 110 2.533 -17.398 7.946 1.00 0.00 O ATOM 1728 OE2 GLU A 110 3.257 -19.196 6.910 1.00 0.00 O ATOM 0 H GLU A 110 2.495 -17.356 3.444 1.00 0.00 H new ATOM 0 HA GLU A 110 0.004 -18.719 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.819 -16.714 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.124 -16.606 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.245 -18.416 7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.030 -19.372 5.838 1.00 0.00 H new ATOM 1735 N ARG A 111 -1.577 -17.267 2.823 1.00 0.00 N ATOM 1736 CA ARG A 111 -2.584 -16.420 2.188 1.00 0.00 C ATOM 1737 C ARG A 111 -3.836 -16.323 3.054 1.00 0.00 C ATOM 1738 O ARG A 111 -4.298 -17.320 3.608 1.00 0.00 O ATOM 1739 CB ARG A 111 -2.954 -16.965 0.805 1.00 0.00 C ATOM 1740 CG ARG A 111 -1.803 -17.649 0.080 1.00 0.00 C ATOM 1741 CD ARG A 111 -0.794 -16.641 -0.443 1.00 0.00 C ATOM 1742 NE ARG A 111 -1.153 -16.145 -1.771 1.00 0.00 N ATOM 1743 CZ ARG A 111 -0.269 -15.713 -2.668 1.00 0.00 C ATOM 1744 NH1 ARG A 111 1.028 -15.699 -2.385 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -0.685 -15.288 -3.854 1.00 0.00 N ATOM 0 H ARG A 111 -1.806 -18.261 2.831 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.158 -15.423 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.774 -17.674 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.321 -16.144 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.307 -18.343 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.194 -18.238 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.726 -15.803 0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.193 -17.103 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.141 -16.129 -2.026 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.355 -16.021 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.698 -15.366 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.680 -15.293 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.010 -14.957 -4.543 1.00 0.00 H new ATOM 1759 N ARG A 112 -4.386 -15.116 3.161 1.00 0.00 N ATOM 1760 CA ARG A 112 -5.589 -14.891 3.955 1.00 0.00 C ATOM 1761 C ARG A 112 -6.755 -14.473 3.063 1.00 0.00 C ATOM 1762 O ARG A 112 -7.643 -15.275 2.768 1.00 0.00 O ATOM 1763 CB ARG A 112 -5.332 -13.823 5.022 1.00 0.00 C ATOM 1764 CG ARG A 112 -5.248 -14.380 6.433 1.00 0.00 C ATOM 1765 CD ARG A 112 -4.787 -13.322 7.422 1.00 0.00 C ATOM 1766 NE ARG A 112 -4.456 -13.896 8.724 1.00 0.00 N ATOM 1767 CZ ARG A 112 -5.362 -14.220 9.644 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -6.655 -14.032 9.407 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -4.976 -14.736 10.803 1.00 0.00 N ATOM 0 H ARG A 112 -4.017 -14.280 2.708 1.00 0.00 H new ATOM 0 HA ARG A 112 -5.851 -15.826 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.402 -13.305 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.129 -13.081 4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -6.224 -14.760 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -4.558 -15.223 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.914 -12.807 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.571 -12.574 7.544 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.473 -14.058 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.958 -13.638 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.345 -14.282 10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.984 -14.885 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.671 -14.984 11.507 1.00 0.00 H new ATOM 1783 N ASP A 113 -6.748 -13.214 2.634 1.00 0.00 N ATOM 1784 CA ASP A 113 -7.804 -12.693 1.774 1.00 0.00 C ATOM 1785 C ASP A 113 -7.433 -12.857 0.303 1.00 0.00 C ATOM 1786 O ASP A 113 -6.259 -13.001 -0.038 1.00 0.00 O ATOM 1787 CB ASP A 113 -8.066 -11.219 2.085 1.00 0.00 C ATOM 1788 CG ASP A 113 -9.241 -10.662 1.305 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -10.353 -11.216 1.431 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -9.048 -9.673 0.568 1.00 0.00 O ATOM 0 H ASP A 113 -6.022 -12.536 2.868 1.00 0.00 H new ATOM 0 HA ASP A 113 -8.713 -13.263 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -8.255 -11.104 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.173 -10.638 1.855 1.00 0.00 H new ATOM 1795 N GLU A 114 -8.440 -12.841 -0.566 1.00 0.00 N ATOM 1796 CA GLU A 114 -8.213 -12.996 -1.997 1.00 0.00 C ATOM 1797 C GLU A 114 -8.731 -11.792 -2.779 1.00 0.00 C ATOM 1798 O GLU A 114 -9.936 -11.552 -2.844 1.00 0.00 O ATOM 1799 CB GLU A 114 -8.885 -14.272 -2.506 1.00 0.00 C ATOM 1800 CG GLU A 114 -8.125 -14.954 -3.632 1.00 0.00 C ATOM 1801 CD GLU A 114 -8.980 -15.945 -4.397 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -10.004 -15.525 -4.973 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -8.623 -17.142 -4.420 1.00 0.00 O ATOM 0 H GLU A 114 -9.419 -12.722 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.137 -13.066 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.993 -14.971 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.890 -14.030 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.748 -14.198 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.258 -15.470 -3.220 1.00 0.00 H new ATOM 1810 N VAL A 115 -7.809 -11.047 -3.383 1.00 0.00 N ATOM 1811 CA VAL A 115 -8.158 -9.875 -4.180 1.00 0.00 C ATOM 1812 C VAL A 115 -7.873 -10.131 -5.654 1.00 0.00 C ATOM 1813 O VAL A 115 -6.776 -10.556 -6.020 1.00 0.00 O ATOM 1814 CB VAL A 115 -7.376 -8.626 -3.725 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -5.887 -8.922 -3.659 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -7.649 -7.452 -4.653 1.00 0.00 C ATOM 0 H VAL A 115 -6.808 -11.236 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.223 -9.691 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.716 -8.356 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.352 -8.029 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.708 -9.729 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.531 -9.221 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.087 -6.582 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.341 -7.710 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -8.714 -7.222 -4.645 1.00 0.00 H new ATOM 1826 N LYS A 116 -8.862 -9.868 -6.494 1.00 0.00 N ATOM 1827 CA LYS A 116 -8.712 -10.068 -7.927 1.00 0.00 C ATOM 1828 C LYS A 116 -8.150 -8.821 -8.596 1.00 0.00 C ATOM 1829 O LYS A 116 -7.622 -8.894 -9.706 1.00 0.00 O ATOM 1830 CB LYS A 116 -10.056 -10.434 -8.560 1.00 0.00 C ATOM 1831 CG LYS A 116 -10.197 -11.914 -8.876 1.00 0.00 C ATOM 1832 CD LYS A 116 -9.445 -12.286 -10.145 1.00 0.00 C ATOM 1833 CE LYS A 116 -10.245 -13.249 -11.007 1.00 0.00 C ATOM 1834 NZ LYS A 116 -9.428 -13.814 -12.115 1.00 0.00 N ATOM 0 H LYS A 116 -9.776 -9.516 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 116 -8.011 -10.889 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.859 -10.137 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -10.183 -9.861 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -9.818 -12.503 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.252 -12.164 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.224 -11.384 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.489 -12.740 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.626 -14.060 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.110 -12.732 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.011 -14.465 -12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.085 -13.042 -12.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.616 -14.330 -11.720 1.00 0.00 H new ATOM 1848 N ALA A 117 -8.270 -7.671 -7.928 1.00 0.00 N ATOM 1849 CA ALA A 117 -7.769 -6.415 -8.493 1.00 0.00 C ATOM 1850 C ALA A 117 -8.191 -5.200 -7.675 1.00 0.00 C ATOM 1851 O ALA A 117 -8.992 -5.303 -6.750 1.00 0.00 O ATOM 1852 CB ALA A 117 -8.277 -6.250 -9.917 1.00 0.00 C ATOM 0 H ALA A 117 -8.703 -7.583 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.681 -6.470 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.901 -5.315 -10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.928 -7.083 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.367 -6.234 -9.915 1.00 0.00 H new ATOM 1858 N VAL A 118 -7.662 -4.042 -8.059 1.00 0.00 N ATOM 1859 CA VAL A 118 -7.996 -2.781 -7.405 1.00 0.00 C ATOM 1860 C VAL A 118 -8.652 -1.845 -8.415 1.00 0.00 C ATOM 1861 O VAL A 118 -7.997 -1.347 -9.331 1.00 0.00 O ATOM 1862 CB VAL A 118 -6.751 -2.095 -6.809 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -6.447 -2.648 -5.425 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -5.552 -2.260 -7.730 1.00 0.00 C ATOM 0 H VAL A 118 -6.995 -3.951 -8.826 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.682 -3.001 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.961 -1.030 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.565 -2.152 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.297 -2.470 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.260 -3.720 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.685 -1.768 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.339 -3.321 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.772 -1.810 -8.698 1.00 0.00 H new ATOM 1874 N THR A 119 -9.953 -1.636 -8.263 1.00 0.00 N ATOM 1875 CA THR A 119 -10.707 -0.790 -9.185 1.00 0.00 C ATOM 1876 C THR A 119 -11.271 0.452 -8.489 1.00 0.00 C ATOM 1877 O THR A 119 -12.265 0.351 -7.772 1.00 0.00 O ATOM 1878 CB THR A 119 -11.839 -1.629 -9.794 1.00 0.00 C ATOM 1879 OG1 THR A 119 -11.394 -2.283 -10.969 1.00 0.00 O ATOM 1880 CG2 THR A 119 -13.078 -0.834 -10.157 1.00 0.00 C ATOM 0 H THR A 119 -10.510 -2.040 -7.510 1.00 0.00 H new ATOM 0 HA THR A 119 -10.037 -0.433 -9.967 1.00 0.00 H new ATOM 0 HB THR A 119 -12.112 -2.338 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 119 -12.126 -2.815 -11.344 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.828 -1.502 -10.580 1.00 0.00 H new ATOM 0 HG22 THR A 119 -13.480 -0.358 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 119 -12.818 -0.070 -10.889 1.00 0.00 H new ATOM 1888 N PHE A 120 -10.642 1.621 -8.726 1.00 0.00 N ATOM 1889 CA PHE A 120 -11.088 2.899 -8.130 1.00 0.00 C ATOM 1890 C PHE A 120 -12.003 2.647 -6.937 1.00 0.00 C ATOM 1891 O PHE A 120 -13.132 3.136 -6.873 1.00 0.00 O ATOM 1892 CB PHE A 120 -11.818 3.749 -9.173 1.00 0.00 C ATOM 1893 CG PHE A 120 -11.133 3.792 -10.509 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -11.091 2.668 -11.319 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -10.535 4.959 -10.958 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -10.464 2.707 -12.551 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -9.907 5.004 -12.188 1.00 0.00 C ATOM 1898 CZ PHE A 120 -9.871 3.877 -12.986 1.00 0.00 C ATOM 0 H PHE A 120 -9.822 1.707 -9.327 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.205 3.439 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -12.827 3.358 -9.305 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.918 4.766 -8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.553 1.751 -10.984 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.560 5.844 -10.339 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.438 1.824 -13.172 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -9.445 5.920 -12.525 1.00 0.00 H new ATOM 0 HZ PHE A 120 -9.381 3.910 -13.948 1.00 0.00 H new ATOM 1908 N HIS A 121 -11.501 1.841 -6.021 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.240 1.444 -4.829 1.00 0.00 C ATOM 1910 C HIS A 121 -12.739 2.639 -4.023 1.00 0.00 C ATOM 1911 O HIS A 121 -13.888 2.674 -3.584 1.00 0.00 O ATOM 1912 CB HIS A 121 -11.324 0.618 -3.956 1.00 0.00 C ATOM 1913 CG HIS A 121 -9.866 0.948 -4.121 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -9.008 0.204 -4.906 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -9.121 1.954 -3.607 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -7.801 0.740 -4.866 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -7.844 1.802 -4.085 1.00 0.00 N ATOM 0 H HIS A 121 -10.565 1.439 -6.079 1.00 0.00 H new ATOM 0 HA HIS A 121 -13.114 0.878 -5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -11.604 0.763 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -11.476 -0.437 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -9.468 2.732 -2.943 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -6.928 0.371 -5.384 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -7.055 2.412 -3.871 1.00 0.00 H new ATOM 1926 N MET A 122 -11.860 3.608 -3.842 1.00 0.00 N ATOM 1927 CA MET A 122 -12.157 4.820 -3.097 1.00 0.00 C ATOM 1928 C MET A 122 -11.020 5.798 -3.327 1.00 0.00 C ATOM 1929 O MET A 122 -11.198 6.854 -3.935 1.00 0.00 O ATOM 1930 CB MET A 122 -12.304 4.510 -1.605 1.00 0.00 C ATOM 1931 CG MET A 122 -13.743 4.320 -1.146 1.00 0.00 C ATOM 1932 SD MET A 122 -14.808 5.710 -1.575 1.00 0.00 S ATOM 1933 CE MET A 122 -15.579 5.099 -3.071 1.00 0.00 C ATOM 0 H MET A 122 -10.910 3.576 -4.212 1.00 0.00 H new ATOM 0 HA MET A 122 -13.099 5.250 -3.438 1.00 0.00 H new ATOM 0 HB2 MET A 122 -11.739 3.606 -1.376 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.855 5.321 -1.031 1.00 0.00 H new ATOM 0 HG2 MET A 122 -14.144 3.410 -1.593 1.00 0.00 H new ATOM 0 HG3 MET A 122 -13.758 4.178 -0.065 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.523 5.620 -3.233 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.917 5.274 -3.919 1.00 0.00 H new ATOM 0 HE3 MET A 122 -15.767 4.030 -2.973 1.00 0.00 H new ATOM 1943 N MET A 123 -9.831 5.407 -2.869 1.00 0.00 N ATOM 1944 CA MET A 123 -8.628 6.210 -3.055 1.00 0.00 C ATOM 1945 C MET A 123 -8.883 7.675 -2.718 1.00 0.00 C ATOM 1946 O MET A 123 -8.393 8.575 -3.402 1.00 0.00 O ATOM 1947 CB MET A 123 -8.097 6.082 -4.501 1.00 0.00 C ATOM 1948 CG MET A 123 -8.849 5.097 -5.395 1.00 0.00 C ATOM 1949 SD MET A 123 -9.360 5.832 -6.962 1.00 0.00 S ATOM 1950 CE MET A 123 -11.061 6.258 -6.599 1.00 0.00 C ATOM 0 H MET A 123 -9.677 4.534 -2.364 1.00 0.00 H new ATOM 0 HA MET A 123 -7.871 5.828 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 123 -8.128 7.066 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.050 5.781 -4.459 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.214 4.234 -5.593 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.729 4.731 -4.866 1.00 0.00 H new ATOM 0 HE1 MET A 123 -11.607 6.402 -7.531 1.00 0.00 H new ATOM 0 HE2 MET A 123 -11.524 5.453 -6.028 1.00 0.00 H new ATOM 0 HE3 MET A 123 -11.089 7.179 -6.016 1.00 0.00 H new ATOM 1960 N GLU A 124 -9.642 7.909 -1.654 1.00 0.00 N ATOM 1961 CA GLU A 124 -9.948 9.266 -1.225 1.00 0.00 C ATOM 1962 C GLU A 124 -9.332 9.540 0.138 1.00 0.00 C ATOM 1963 O GLU A 124 -9.429 8.721 1.049 1.00 0.00 O ATOM 1964 CB GLU A 124 -11.462 9.483 -1.172 1.00 0.00 C ATOM 1965 CG GLU A 124 -11.885 10.895 -1.541 1.00 0.00 C ATOM 1966 CD GLU A 124 -13.193 11.301 -0.891 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -13.221 11.446 0.350 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -14.192 11.472 -1.622 1.00 0.00 O ATOM 0 H GLU A 124 -10.055 7.178 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.522 9.961 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -11.946 8.779 -1.849 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -11.819 9.256 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -11.103 11.594 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -11.983 10.969 -2.624 1.00 0.00 H new ATOM 1975 N ILE A 125 -8.692 10.691 0.278 1.00 0.00 N ATOM 1976 CA ILE A 125 -8.063 11.047 1.538 1.00 0.00 C ATOM 1977 C ILE A 125 -8.859 12.115 2.273 1.00 0.00 C ATOM 1978 O ILE A 125 -8.955 13.256 1.822 1.00 0.00 O ATOM 1979 CB ILE A 125 -6.619 11.543 1.331 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -5.879 10.642 0.339 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -5.880 11.595 2.660 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -5.922 9.175 0.708 1.00 0.00 C ATOM 0 H ILE A 125 -8.595 11.389 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.041 10.140 2.142 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.656 12.551 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.314 10.772 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.839 10.962 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.862 11.947 2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.396 12.277 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.853 10.598 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.378 8.596 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.461 9.032 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -6.958 8.839 0.743 1.00 0.00 H new ATOM 1994 N LEU A 126 -9.426 11.734 3.411 1.00 0.00 N ATOM 1995 CA LEU A 126 -10.213 12.659 4.219 1.00 0.00 C ATOM 1996 C LEU A 126 -9.410 13.118 5.431 1.00 0.00 C ATOM 1997 O LEU A 126 -8.741 12.316 6.081 1.00 0.00 O ATOM 1998 CB LEU A 126 -11.516 11.996 4.671 1.00 0.00 C ATOM 1999 CG LEU A 126 -12.769 12.861 4.521 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -12.599 14.178 5.264 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -13.069 13.111 3.051 1.00 0.00 C ATOM 0 H LEU A 126 -9.356 10.792 3.796 1.00 0.00 H new ATOM 0 HA LEU A 126 -10.457 13.529 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.656 11.078 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.415 11.708 5.717 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.613 12.327 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.500 14.781 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.431 13.980 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.745 14.718 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -13.963 13.728 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.226 13.626 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.233 12.159 2.546 1.00 0.00 H new ATOM 2013 N ASP A 127 -9.468 14.415 5.727 1.00 0.00 N ATOM 2014 CA ASP A 127 -8.728 14.962 6.859 1.00 0.00 C ATOM 2015 C ASP A 127 -9.661 15.384 7.990 1.00 0.00 C ATOM 2016 O ASP A 127 -10.550 16.215 7.802 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.882 16.155 6.408 1.00 0.00 C ATOM 2018 CG ASP A 127 -6.418 15.797 6.248 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -5.781 15.437 7.260 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -5.908 15.878 5.111 1.00 0.00 O ATOM 0 H ASP A 127 -10.014 15.100 5.204 1.00 0.00 H new ATOM 0 HA ASP A 127 -8.075 14.176 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -8.267 16.532 5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.979 16.961 7.135 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.439 14.813 9.170 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.242 15.131 10.345 1.00 0.00 C ATOM 2027 C GLU A 128 -9.353 15.595 11.497 1.00 0.00 C ATOM 2028 O GLU A 128 -8.390 14.917 11.856 1.00 0.00 O ATOM 2029 CB GLU A 128 -11.065 13.915 10.774 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.490 14.257 11.178 1.00 0.00 C ATOM 2031 CD GLU A 128 -12.578 14.830 12.579 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -11.633 14.618 13.367 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -13.591 15.491 12.887 1.00 0.00 O ATOM 0 H GLU A 128 -8.706 14.124 9.338 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.922 15.942 10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.091 13.197 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.566 13.426 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.902 14.975 10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.106 13.360 11.117 1.00 0.00 H new ATOM 2040 N ASP A 129 -9.679 16.746 12.080 1.00 0.00 N ATOM 2041 CA ASP A 129 -8.901 17.279 13.196 1.00 0.00 C ATOM 2042 C ASP A 129 -7.448 17.514 12.795 1.00 0.00 C ATOM 2043 O ASP A 129 -6.561 17.581 13.646 1.00 0.00 O ATOM 2044 CB ASP A 129 -8.947 16.306 14.370 1.00 0.00 C ATOM 2045 CG ASP A 129 -9.757 16.839 15.536 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -10.991 16.647 15.539 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -9.157 17.448 16.447 1.00 0.00 O ATOM 0 H ASP A 129 -10.471 17.325 11.801 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.340 18.234 13.485 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.375 15.360 14.037 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.931 16.096 14.704 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.211 17.619 11.498 1.00 0.00 N ATOM 2053 CA GLY A 130 -5.863 17.826 11.002 1.00 0.00 C ATOM 2054 C GLY A 130 -5.155 16.516 10.700 1.00 0.00 C ATOM 2055 O GLY A 130 -4.001 16.510 10.271 1.00 0.00 O ATOM 0 H GLY A 130 -7.929 17.565 10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.900 18.434 10.098 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.288 18.386 11.740 1.00 0.00 H new ATOM 2059 N LEU A 131 -5.856 15.405 10.914 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.304 14.083 10.654 1.00 0.00 C ATOM 2061 C LEU A 131 -5.775 13.581 9.295 1.00 0.00 C ATOM 2062 O LEU A 131 -6.895 13.867 8.882 1.00 0.00 O ATOM 2063 CB LEU A 131 -5.732 13.102 11.748 1.00 0.00 C ATOM 2064 CG LEU A 131 -4.835 13.082 12.985 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -5.530 12.374 14.138 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -3.509 12.410 12.665 1.00 0.00 C ATOM 0 H LEU A 131 -6.812 15.397 11.269 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.216 14.153 10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.748 13.348 12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -5.762 12.099 11.324 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.637 14.111 13.286 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -4.876 12.370 15.010 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -6.455 12.896 14.381 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -5.758 11.348 13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.880 12.403 13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.689 11.385 12.340 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.005 12.959 11.870 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.921 12.840 8.600 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.276 12.319 7.283 1.00 0.00 C ATOM 2080 C ILE A 132 -5.689 10.860 7.345 1.00 0.00 C ATOM 2081 O ILE A 132 -5.097 10.058 8.065 1.00 0.00 O ATOM 2082 CB ILE A 132 -4.125 12.430 6.255 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.746 12.382 6.942 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -4.285 13.688 5.413 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -2.052 13.726 7.074 1.00 0.00 C ATOM 0 H ILE A 132 -3.986 12.587 8.921 1.00 0.00 H new ATOM 0 HA ILE A 132 -6.110 12.941 6.958 1.00 0.00 H new ATOM 0 HB ILE A 132 -4.179 11.567 5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.866 11.952 7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.099 11.709 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -3.468 13.752 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -5.235 13.650 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -4.267 14.564 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.090 13.592 7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.894 14.153 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.673 14.400 7.664 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.694 10.519 6.550 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.174 9.150 6.473 1.00 0.00 C ATOM 2099 C LYS A 133 -7.363 8.755 5.010 1.00 0.00 C ATOM 2100 O LYS A 133 -7.867 9.540 4.209 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.492 9.001 7.233 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.407 9.435 8.688 1.00 0.00 C ATOM 2103 CD LYS A 133 -9.232 10.686 8.949 1.00 0.00 C ATOM 2104 CE LYS A 133 -9.471 10.896 10.435 1.00 0.00 C ATOM 2105 NZ LYS A 133 -10.732 10.249 10.892 1.00 0.00 N ATOM 0 H LYS A 133 -7.192 11.175 5.949 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.437 8.491 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.260 9.590 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.810 7.959 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.757 8.627 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.366 9.623 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -8.719 11.554 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.189 10.606 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.630 10.491 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -9.513 11.964 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -11.128 10.785 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -11.418 10.235 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.532 9.274 11.195 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.951 7.543 4.667 1.00 0.00 N ATOM 2120 CA ALA A 134 -7.070 7.049 3.293 1.00 0.00 C ATOM 2121 C ALA A 134 -8.006 5.838 3.207 1.00 0.00 C ATOM 2122 O ALA A 134 -8.102 5.055 4.151 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.693 6.689 2.757 1.00 0.00 C ATOM 0 H ALA A 134 -6.531 6.880 5.318 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.503 7.842 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.785 6.322 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.055 7.573 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.250 5.914 3.382 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.697 5.694 2.072 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.630 4.572 1.877 1.00 0.00 C ATOM 2131 C ARG A 135 -9.311 3.752 0.639 1.00 0.00 C ATOM 2132 O ARG A 135 -9.339 4.257 -0.482 1.00 0.00 O ATOM 2133 CB ARG A 135 -11.071 5.064 1.770 1.00 0.00 C ATOM 2134 CG ARG A 135 -11.188 6.545 1.494 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.431 6.846 0.686 1.00 0.00 C ATOM 2136 NE ARG A 135 -13.307 7.803 1.360 1.00 0.00 N ATOM 2137 CZ ARG A 135 -14.125 8.641 0.726 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -14.186 8.653 -0.600 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -14.887 9.472 1.424 1.00 0.00 N ATOM 0 H ARG A 135 -8.632 6.332 1.279 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.513 3.937 2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.575 4.514 0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.594 4.834 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.220 7.093 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.306 6.889 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.143 7.242 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.978 5.921 0.504 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.291 7.831 2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.603 8.016 -1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -14.816 9.299 -1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.845 9.468 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.515 10.115 0.942 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.032 2.471 0.853 1.00 0.00 N ATOM 2154 CA VAL A 136 -8.739 1.569 -0.252 1.00 0.00 C ATOM 2155 C VAL A 136 -9.539 0.260 -0.191 1.00 0.00 C ATOM 2156 O VAL A 136 -9.313 -0.570 0.685 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.239 1.222 -0.306 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -6.916 0.444 -1.572 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.392 2.484 -0.215 1.00 0.00 C ATOM 0 H VAL A 136 -9.003 2.037 1.776 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.035 2.109 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.001 0.592 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.852 0.208 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.493 -0.480 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.171 1.046 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.336 2.217 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.631 3.144 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.602 2.996 0.724 1.00 0.00 H new ATOM 2169 N ILE A 137 -10.411 0.072 -1.180 1.00 0.00 N ATOM 2170 CA ILE A 137 -11.220 -1.142 -1.342 1.00 0.00 C ATOM 2171 C ILE A 137 -10.640 -2.005 -2.447 1.00 0.00 C ATOM 2172 O ILE A 137 -10.122 -1.513 -3.440 1.00 0.00 O ATOM 2173 CB ILE A 137 -12.705 -0.856 -1.632 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -13.164 0.386 -0.878 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -13.554 -2.055 -1.253 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -14.657 0.439 -0.623 1.00 0.00 C ATOM 0 H ILE A 137 -10.580 0.769 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 137 -11.183 -1.668 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 137 -12.824 -0.672 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -12.641 0.432 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -12.871 1.270 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -14.602 -1.840 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -13.238 -2.922 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -13.433 -2.265 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -14.902 1.353 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -15.189 0.427 -1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -14.956 -0.425 -0.029 1.00 0.00 H new ATOM 2188 N LEU A 138 -10.658 -3.296 -2.232 1.00 0.00 N ATOM 2189 CA LEU A 138 -10.066 -4.232 -3.179 1.00 0.00 C ATOM 2190 C LEU A 138 -11.110 -5.124 -3.831 1.00 0.00 C ATOM 2191 O LEU A 138 -12.157 -5.381 -3.256 1.00 0.00 O ATOM 2192 CB LEU A 138 -8.982 -5.048 -2.476 1.00 0.00 C ATOM 2193 CG LEU A 138 -7.719 -4.253 -2.089 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -6.545 -4.664 -2.959 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -7.949 -2.747 -2.198 1.00 0.00 C ATOM 0 H LEU A 138 -11.075 -3.733 -1.410 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.610 -3.663 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.407 -5.488 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.690 -5.873 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.491 -4.485 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -5.662 -4.093 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -6.348 -5.728 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -6.781 -4.467 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.038 -2.219 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.215 -2.493 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.759 -2.453 -1.530 1.00 0.00 H new ATOM 2207 N ASP A 139 -10.820 -5.563 -5.053 1.00 0.00 N ATOM 2208 CA ASP A 139 -11.753 -6.395 -5.814 1.00 0.00 C ATOM 2209 C ASP A 139 -11.664 -7.862 -5.397 1.00 0.00 C ATOM 2210 O ASP A 139 -10.584 -8.376 -5.114 1.00 0.00 O ATOM 2211 CB ASP A 139 -11.464 -6.271 -7.311 1.00 0.00 C ATOM 2212 CG ASP A 139 -12.688 -6.551 -8.161 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -13.629 -7.196 -7.653 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -12.706 -6.125 -9.336 1.00 0.00 O ATOM 0 H ASP A 139 -9.947 -5.358 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.762 -6.041 -5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -11.098 -5.267 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -10.669 -6.965 -7.584 1.00 0.00 H new ATOM 2219 N LEU A 140 -12.826 -8.518 -5.345 1.00 0.00 N ATOM 2220 CA LEU A 140 -12.925 -9.924 -4.941 1.00 0.00 C ATOM 2221 C LEU A 140 -11.836 -10.777 -5.590 1.00 0.00 C ATOM 2222 O LEU A 140 -10.724 -10.839 -5.031 1.00 0.00 O ATOM 2223 CB LEU A 140 -14.304 -10.487 -5.307 1.00 0.00 C ATOM 2224 CG LEU A 140 -14.896 -11.467 -4.288 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -14.974 -10.836 -2.903 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -16.270 -11.932 -4.741 1.00 0.00 C ATOM 2227 OXT LEU A 140 -12.110 -11.383 -6.647 1.00 0.00 O ATOM 0 H LEU A 140 -13.722 -8.092 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.788 -9.963 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -14.997 -9.655 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -14.230 -10.990 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 140 -14.237 -12.333 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -15.398 -11.553 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -13.974 -10.554 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -15.607 -9.949 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -16.679 -12.628 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -16.933 -11.072 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -16.185 -12.431 -5.707 1.00 0.00 H new TER 2239 LEU A 140