USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 859 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 56 LYS NZ :NH3+ 140:sc= 1.32 (180deg=0.67) USER MOD Set 1.2: A 65 SER OG : rot 160:sc= 0.0799 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00357 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 153:sc= -0.211 (180deg=-0.691) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 0.704 (180deg=0.229) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -127:sc= 1.51 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -75:sc= 0.22 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -66:sc= 0.772 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 72 SER OG : rot -170:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc=0.000672 USER MOD Single : A 78 SER OG : rot 26:sc= 0.338 USER MOD Single : A 79 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.601) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 98 LYS NZ :NH3+ -170:sc= -0.0909 (180deg=-0.404) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 38:sc= 0.0881 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 9.986 26.249 4.900 1.00 0.00 N ATOM 2 CA GLY A 11 8.890 26.810 4.076 1.00 0.00 C ATOM 3 C GLY A 11 7.753 25.812 3.906 1.00 0.00 C ATOM 4 O GLY A 11 7.978 24.669 3.511 1.00 0.00 O ATOM 0 HA2 GLY A 11 8.511 27.719 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.277 27.092 3.097 1.00 0.00 H new ATOM 8 N SER A 12 6.519 26.225 4.200 1.00 0.00 N ATOM 9 CA SER A 12 5.313 25.369 4.179 1.00 0.00 C ATOM 10 C SER A 12 4.557 25.359 2.831 1.00 0.00 C ATOM 11 O SER A 12 3.605 24.591 2.663 1.00 0.00 O ATOM 12 CB SER A 12 4.373 25.832 5.305 1.00 0.00 C ATOM 13 OG SER A 12 4.063 27.221 5.193 1.00 0.00 O ATOM 0 H SER A 12 6.316 27.188 4.467 1.00 0.00 H new ATOM 0 HA SER A 12 5.648 24.342 4.327 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.452 25.249 5.274 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.839 25.639 6.271 1.00 0.00 H new ATOM 0 HG SER A 12 3.463 27.482 5.922 1.00 0.00 H new ATOM 19 N GLU A 13 4.957 26.198 1.866 1.00 0.00 N ATOM 20 CA GLU A 13 4.281 26.356 0.570 1.00 0.00 C ATOM 21 C GLU A 13 4.414 25.098 -0.313 1.00 0.00 C ATOM 22 O GLU A 13 5.519 24.593 -0.536 1.00 0.00 O ATOM 23 CB GLU A 13 4.829 27.583 -0.181 1.00 0.00 C ATOM 24 CG GLU A 13 4.523 28.906 0.535 1.00 0.00 C ATOM 25 CD GLU A 13 5.064 30.098 -0.267 1.00 0.00 C ATOM 26 OE1 GLU A 13 6.238 30.490 -0.061 1.00 0.00 O ATOM 27 OE2 GLU A 13 4.320 30.660 -1.107 1.00 0.00 O ATOM 0 H GLU A 13 5.776 26.798 1.966 1.00 0.00 H new ATOM 0 HA GLU A 13 3.222 26.504 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.908 27.480 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.401 27.610 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.446 29.011 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.969 28.898 1.529 1.00 0.00 H new ATOM 34 N GLU A 14 3.285 24.624 -0.850 1.00 0.00 N ATOM 35 CA GLU A 14 3.168 23.437 -1.709 1.00 0.00 C ATOM 36 C GLU A 14 1.797 23.439 -2.414 1.00 0.00 C ATOM 37 O GLU A 14 0.758 23.463 -1.749 1.00 0.00 O ATOM 38 CB GLU A 14 3.370 22.158 -0.871 1.00 0.00 C ATOM 39 CG GLU A 14 3.298 20.869 -1.697 1.00 0.00 C ATOM 40 CD GLU A 14 3.691 19.664 -0.828 1.00 0.00 C ATOM 41 OE1 GLU A 14 2.857 19.197 -0.017 1.00 0.00 O ATOM 42 OE2 GLU A 14 4.848 19.190 -0.935 1.00 0.00 O ATOM 0 H GLU A 14 2.385 25.077 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 14 3.943 23.460 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.339 22.208 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.612 22.122 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.289 20.733 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.965 20.941 -2.556 1.00 0.00 H new ATOM 49 N VAL A 15 1.786 23.422 -3.754 1.00 0.00 N ATOM 50 CA VAL A 15 0.541 23.494 -4.558 1.00 0.00 C ATOM 51 C VAL A 15 -0.149 22.122 -4.643 1.00 0.00 C ATOM 52 O VAL A 15 -1.365 22.027 -4.480 1.00 0.00 O ATOM 53 CB VAL A 15 0.810 24.060 -5.977 1.00 0.00 C ATOM 54 CG1 VAL A 15 -0.461 24.106 -6.847 1.00 0.00 C ATOM 55 CG2 VAL A 15 1.390 25.485 -5.902 1.00 0.00 C ATOM 0 H VAL A 15 2.634 23.358 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.133 24.182 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 15 1.527 23.380 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.215 24.510 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.862 23.099 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.206 24.742 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.569 25.858 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.682 26.140 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.329 25.467 -5.349 1.00 0.00 H new ATOM 65 N SER A 16 0.615 21.047 -4.866 1.00 0.00 N ATOM 66 CA SER A 16 0.095 19.674 -5.021 1.00 0.00 C ATOM 67 C SER A 16 -0.002 18.945 -3.663 1.00 0.00 C ATOM 68 O SER A 16 0.614 17.898 -3.451 1.00 0.00 O ATOM 69 CB SER A 16 0.946 18.897 -6.039 1.00 0.00 C ATOM 70 OG SER A 16 0.870 19.475 -7.341 1.00 0.00 O ATOM 0 H SER A 16 1.630 21.102 -4.946 1.00 0.00 H new ATOM 0 HA SER A 16 -0.922 19.731 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.984 18.881 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.608 17.861 -6.080 1.00 0.00 H new ATOM 0 HG SER A 16 1.424 18.957 -7.962 1.00 0.00 H new ATOM 76 N GLU A 17 -0.757 19.521 -2.722 1.00 0.00 N ATOM 77 CA GLU A 17 -0.939 18.980 -1.367 1.00 0.00 C ATOM 78 C GLU A 17 -1.501 17.533 -1.363 1.00 0.00 C ATOM 79 O GLU A 17 -2.336 17.200 -2.215 1.00 0.00 O ATOM 80 CB GLU A 17 -1.791 19.937 -0.512 1.00 0.00 C ATOM 81 CG GLU A 17 -3.240 20.107 -0.993 1.00 0.00 C ATOM 82 CD GLU A 17 -3.988 21.125 -0.119 1.00 0.00 C ATOM 83 OE1 GLU A 17 -4.487 20.748 0.969 1.00 0.00 O ATOM 84 OE2 GLU A 17 -4.094 22.311 -0.514 1.00 0.00 O ATOM 0 H GLU A 17 -1.268 20.390 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 17 0.049 18.909 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.804 19.572 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.310 20.915 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.247 20.438 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.754 19.146 -0.961 1.00 0.00 H new ATOM 91 N PRO A 18 -1.058 16.666 -0.426 1.00 0.00 N ATOM 92 CA PRO A 18 -1.384 15.239 -0.402 1.00 0.00 C ATOM 93 C PRO A 18 -2.806 14.955 0.111 1.00 0.00 C ATOM 94 O PRO A 18 -3.477 15.825 0.670 1.00 0.00 O ATOM 95 CB PRO A 18 -0.324 14.605 0.510 1.00 0.00 C ATOM 96 CG PRO A 18 -0.036 15.723 1.510 1.00 0.00 C ATOM 97 CD PRO A 18 -0.106 16.969 0.634 1.00 0.00 C ATOM 0 HA PRO A 18 -1.371 14.822 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.697 13.707 1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.569 14.317 -0.045 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.772 15.749 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.942 15.609 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -0.430 17.834 1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.873 17.210 0.221 1.00 0.00 H new ATOM 105 N GLY A 19 -3.240 13.700 -0.062 1.00 0.00 N ATOM 106 CA GLY A 19 -4.495 13.144 0.462 1.00 0.00 C ATOM 107 C GLY A 19 -4.291 11.794 1.152 1.00 0.00 C ATOM 108 O GLY A 19 -3.246 11.159 1.011 1.00 0.00 O ATOM 0 H GLY A 19 -2.703 13.015 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.934 13.848 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.207 13.028 -0.355 1.00 0.00 H new ATOM 112 N ASP A 20 -5.299 11.316 1.877 1.00 0.00 N ATOM 113 CA ASP A 20 -5.204 10.112 2.715 1.00 0.00 C ATOM 114 C ASP A 20 -6.567 9.412 2.878 1.00 0.00 C ATOM 115 O ASP A 20 -7.609 10.072 2.939 1.00 0.00 O ATOM 116 CB ASP A 20 -4.620 10.525 4.079 1.00 0.00 C ATOM 117 CG ASP A 20 -4.504 9.366 5.086 1.00 0.00 C ATOM 118 OD1 ASP A 20 -5.485 9.111 5.825 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.419 8.745 5.165 1.00 0.00 O ATOM 0 H ASP A 20 -6.219 11.756 1.903 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.550 9.386 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.632 10.958 3.924 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.247 11.306 4.510 1.00 0.00 H new ATOM 124 N ALA A 21 -6.552 8.076 2.971 1.00 0.00 N ATOM 125 CA ALA A 21 -7.731 7.238 3.195 1.00 0.00 C ATOM 126 C ALA A 21 -7.367 5.928 3.924 1.00 0.00 C ATOM 127 O ALA A 21 -6.730 5.035 3.363 1.00 0.00 O ATOM 128 CB ALA A 21 -8.412 6.971 1.844 1.00 0.00 C ATOM 0 H ALA A 21 -5.691 7.535 2.890 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.428 7.763 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.293 6.347 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.712 7.918 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.715 6.459 1.180 1.00 0.00 H new ATOM 134 N ASN A 22 -7.820 5.795 5.176 1.00 0.00 N ATOM 135 CA ASN A 22 -7.754 4.577 5.997 1.00 0.00 C ATOM 136 C ASN A 22 -6.330 3.973 6.103 1.00 0.00 C ATOM 137 O ASN A 22 -5.545 4.400 6.954 1.00 0.00 O ATOM 138 CB ASN A 22 -8.832 3.573 5.533 1.00 0.00 C ATOM 139 CG ASN A 22 -10.245 4.124 5.707 1.00 0.00 C ATOM 140 OD1 ASN A 22 -10.758 4.229 6.815 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.913 4.501 4.628 1.00 0.00 N ATOM 0 H ASN A 22 -8.264 6.570 5.669 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.983 4.852 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.667 3.324 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.732 2.647 6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.856 4.879 4.718 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.485 4.413 3.706 1.00 0.00 H new ATOM 148 N ILE A 23 -5.996 2.964 5.283 1.00 0.00 N ATOM 149 CA ILE A 23 -4.716 2.221 5.332 1.00 0.00 C ATOM 150 C ILE A 23 -3.615 2.888 4.472 1.00 0.00 C ATOM 151 O ILE A 23 -2.435 2.576 4.642 1.00 0.00 O ATOM 152 CB ILE A 23 -4.954 0.733 4.939 1.00 0.00 C ATOM 153 CG1 ILE A 23 -6.161 0.095 5.682 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.716 -0.145 5.210 1.00 0.00 C ATOM 155 CD1 ILE A 23 -7.426 0.027 4.815 1.00 0.00 C ATOM 0 H ILE A 23 -6.620 2.630 4.548 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.343 2.249 6.356 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.165 0.762 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.893 -0.911 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.374 0.672 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.929 -1.174 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.872 0.228 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.471 -0.110 6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.235 -0.428 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.715 1.034 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.227 -0.574 3.927 1.00 0.00 H new ATOM 167 N PHE A 24 -3.970 3.801 3.560 1.00 0.00 N ATOM 168 CA PHE A 24 -3.069 4.343 2.543 1.00 0.00 C ATOM 169 C PHE A 24 -3.142 5.876 2.411 1.00 0.00 C ATOM 170 O PHE A 24 -4.131 6.515 2.774 1.00 0.00 O ATOM 171 CB PHE A 24 -3.357 3.625 1.213 1.00 0.00 C ATOM 172 CG PHE A 24 -4.757 3.803 0.647 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.828 3.024 1.122 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.986 4.746 -0.370 1.00 0.00 C ATOM 175 CE1 PHE A 24 -7.119 3.180 0.584 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.281 4.929 -0.885 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.346 4.136 -0.418 1.00 0.00 C ATOM 0 H PHE A 24 -4.912 4.190 3.510 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.041 4.152 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.640 3.976 0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.176 2.559 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.658 2.301 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.165 5.331 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.933 2.566 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.459 5.680 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.336 4.263 -0.830 1.00 0.00 H new ATOM 187 N ARG A 25 -2.071 6.464 1.865 1.00 0.00 N ATOM 188 CA ARG A 25 -1.880 7.908 1.663 1.00 0.00 C ATOM 189 C ARG A 25 -1.460 8.143 0.215 1.00 0.00 C ATOM 190 O ARG A 25 -0.575 7.440 -0.263 1.00 0.00 O ATOM 191 CB ARG A 25 -0.801 8.414 2.643 1.00 0.00 C ATOM 192 CG ARG A 25 -0.392 9.890 2.470 1.00 0.00 C ATOM 193 CD ARG A 25 0.805 10.222 3.374 1.00 0.00 C ATOM 194 NE ARG A 25 1.271 11.611 3.196 1.00 0.00 N ATOM 195 CZ ARG A 25 2.106 12.072 2.268 1.00 0.00 C ATOM 196 NH1 ARG A 25 2.577 11.330 1.291 1.00 0.00 N ATOM 197 NH2 ARG A 25 2.502 13.324 2.299 1.00 0.00 N ATOM 0 H ARG A 25 -1.274 5.920 1.535 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.803 8.454 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.163 8.272 3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.088 7.793 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.134 10.083 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.233 10.539 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.526 10.065 4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.623 9.536 3.157 1.00 0.00 H new ATOM 0 HE ARG A 25 0.912 12.296 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.305 10.350 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.215 11.734 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.169 13.946 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.142 13.674 1.586 1.00 0.00 H new ATOM 211 N VAL A 26 -2.053 9.128 -0.459 1.00 0.00 N ATOM 212 CA VAL A 26 -1.619 9.567 -1.801 1.00 0.00 C ATOM 213 C VAL A 26 -0.745 10.822 -1.702 1.00 0.00 C ATOM 214 O VAL A 26 -1.136 11.817 -1.096 1.00 0.00 O ATOM 215 CB VAL A 26 -2.799 9.750 -2.787 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.864 10.770 -2.350 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.295 10.116 -4.194 1.00 0.00 C ATOM 0 H VAL A 26 -2.850 9.650 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.011 8.766 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.292 8.778 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.647 10.825 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.299 10.458 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.402 11.750 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.145 10.238 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.732 11.048 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.650 9.321 -4.568 1.00 0.00 H new ATOM 227 N ASP A 27 0.437 10.770 -2.315 1.00 0.00 N ATOM 228 CA ASP A 27 1.332 11.916 -2.472 1.00 0.00 C ATOM 229 C ASP A 27 1.170 12.507 -3.878 1.00 0.00 C ATOM 230 O ASP A 27 1.670 11.955 -4.859 1.00 0.00 O ATOM 231 CB ASP A 27 2.782 11.496 -2.202 1.00 0.00 C ATOM 232 CG ASP A 27 3.640 12.725 -1.879 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.985 13.481 -2.819 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.921 12.930 -0.672 1.00 0.00 O ATOM 0 H ASP A 27 0.807 9.912 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 27 1.071 12.686 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.815 10.792 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.187 10.980 -3.073 1.00 0.00 H new ATOM 239 N LYS A 28 0.446 13.624 -3.987 1.00 0.00 N ATOM 240 CA LYS A 28 0.111 14.227 -5.285 1.00 0.00 C ATOM 241 C LYS A 28 1.264 15.055 -5.895 1.00 0.00 C ATOM 242 O LYS A 28 1.264 15.298 -7.103 1.00 0.00 O ATOM 243 CB LYS A 28 -1.182 15.053 -5.138 1.00 0.00 C ATOM 244 CG LYS A 28 -2.393 14.166 -4.789 1.00 0.00 C ATOM 245 CD LYS A 28 -3.721 14.936 -4.716 1.00 0.00 C ATOM 246 CE LYS A 28 -4.144 15.506 -6.079 1.00 0.00 C ATOM 247 NZ LYS A 28 -5.459 16.200 -6.002 1.00 0.00 N ATOM 0 H LYS A 28 0.076 14.135 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.054 13.419 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.046 15.805 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.379 15.588 -6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.481 13.377 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.212 13.680 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.502 14.273 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.626 15.751 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.385 16.203 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.201 14.699 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.711 16.571 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.188 15.528 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.397 16.986 -5.324 1.00 0.00 H new ATOM 261 N ASP A 29 2.256 15.456 -5.091 1.00 0.00 N ATOM 262 CA ASP A 29 3.436 16.209 -5.537 1.00 0.00 C ATOM 263 C ASP A 29 4.479 15.294 -6.198 1.00 0.00 C ATOM 264 O ASP A 29 4.903 15.547 -7.327 1.00 0.00 O ATOM 265 CB ASP A 29 4.052 16.955 -4.346 1.00 0.00 C ATOM 266 CG ASP A 29 5.163 17.915 -4.800 1.00 0.00 C ATOM 267 OD1 ASP A 29 4.835 19.017 -5.304 1.00 0.00 O ATOM 268 OD2 ASP A 29 6.360 17.568 -4.659 1.00 0.00 O ATOM 0 H ASP A 29 2.261 15.262 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 29 3.115 16.929 -6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.276 17.515 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.458 16.236 -3.635 1.00 0.00 H new ATOM 273 N SER A 30 4.865 14.211 -5.519 1.00 0.00 N ATOM 274 CA SER A 30 5.824 13.219 -6.040 1.00 0.00 C ATOM 275 C SER A 30 5.161 12.078 -6.843 1.00 0.00 C ATOM 276 O SER A 30 5.864 11.278 -7.465 1.00 0.00 O ATOM 277 CB SER A 30 6.669 12.655 -4.885 1.00 0.00 C ATOM 278 OG SER A 30 7.526 13.649 -4.327 1.00 0.00 O ATOM 0 H SER A 30 4.521 13.991 -4.584 1.00 0.00 H new ATOM 0 HA SER A 30 6.466 13.743 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.011 12.264 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.268 11.819 -5.246 1.00 0.00 H new ATOM 0 HG SER A 30 8.047 13.258 -3.595 1.00 0.00 H new ATOM 284 N ARG A 31 3.819 11.998 -6.842 1.00 0.00 N ATOM 285 CA ARG A 31 2.984 11.066 -7.624 1.00 0.00 C ATOM 286 C ARG A 31 3.087 9.614 -7.098 1.00 0.00 C ATOM 287 O ARG A 31 3.297 8.664 -7.858 1.00 0.00 O ATOM 288 CB ARG A 31 3.285 11.223 -9.135 1.00 0.00 C ATOM 289 CG ARG A 31 2.049 11.058 -10.035 1.00 0.00 C ATOM 290 CD ARG A 31 1.122 12.283 -9.949 1.00 0.00 C ATOM 291 NE ARG A 31 0.089 12.284 -11.005 1.00 0.00 N ATOM 292 CZ ARG A 31 0.235 12.697 -12.262 1.00 0.00 C ATOM 293 NH1 ARG A 31 1.405 13.049 -12.756 1.00 0.00 N ATOM 294 NH2 ARG A 31 -0.813 12.770 -13.054 1.00 0.00 N ATOM 0 H ARG A 31 3.254 12.618 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 31 1.934 11.326 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.721 12.207 -9.309 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.035 10.487 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.366 10.912 -11.068 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.500 10.163 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.639 12.301 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.718 13.192 -10.027 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.832 11.932 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.239 13.010 -12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.477 13.360 -13.725 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.735 12.510 -12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.703 13.086 -14.017 1.00 0.00 H new ATOM 308 N GLU A 32 2.987 9.450 -5.776 1.00 0.00 N ATOM 309 CA GLU A 32 3.266 8.204 -5.038 1.00 0.00 C ATOM 310 C GLU A 32 2.038 7.744 -4.229 1.00 0.00 C ATOM 311 O GLU A 32 1.125 8.535 -3.993 1.00 0.00 O ATOM 312 CB GLU A 32 4.465 8.398 -4.084 1.00 0.00 C ATOM 313 CG GLU A 32 5.654 9.121 -4.725 1.00 0.00 C ATOM 314 CD GLU A 32 6.902 9.085 -3.828 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.892 9.715 -2.745 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.918 8.459 -4.217 1.00 0.00 O ATOM 0 H GLU A 32 2.698 10.210 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 32 3.506 7.435 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.136 8.963 -3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.795 7.422 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.884 8.659 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.382 10.157 -4.927 1.00 0.00 H new ATOM 323 N VAL A 33 2.028 6.489 -3.759 1.00 0.00 N ATOM 324 CA VAL A 33 1.041 5.962 -2.800 1.00 0.00 C ATOM 325 C VAL A 33 1.727 5.125 -1.716 1.00 0.00 C ATOM 326 O VAL A 33 2.440 4.168 -1.998 1.00 0.00 O ATOM 327 CB VAL A 33 -0.095 5.143 -3.461 1.00 0.00 C ATOM 328 CG1 VAL A 33 -1.196 6.052 -4.023 1.00 0.00 C ATOM 329 CG2 VAL A 33 0.379 4.169 -4.558 1.00 0.00 C ATOM 0 H VAL A 33 2.720 5.795 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 33 0.573 6.837 -2.349 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.497 4.534 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.975 5.441 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.626 6.645 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.770 6.717 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.479 3.636 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.872 4.728 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.080 3.452 -4.130 1.00 0.00 H new ATOM 339 N TYR A 34 1.503 5.479 -0.455 1.00 0.00 N ATOM 340 CA TYR A 34 2.058 4.790 0.709 1.00 0.00 C ATOM 341 C TYR A 34 0.995 3.864 1.301 1.00 0.00 C ATOM 342 O TYR A 34 -0.133 4.299 1.518 1.00 0.00 O ATOM 343 CB TYR A 34 2.499 5.810 1.770 1.00 0.00 C ATOM 344 CG TYR A 34 3.681 6.705 1.430 1.00 0.00 C ATOM 345 CD1 TYR A 34 3.577 7.700 0.433 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.868 6.598 2.183 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.655 8.571 0.185 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.941 7.479 1.951 1.00 0.00 C ATOM 349 CZ TYR A 34 5.837 8.472 0.952 1.00 0.00 C ATOM 350 OH TYR A 34 6.863 9.344 0.745 1.00 0.00 O ATOM 0 H TYR A 34 0.915 6.274 -0.206 1.00 0.00 H new ATOM 0 HA TYR A 34 2.925 4.207 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.646 6.450 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.741 5.264 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.667 7.793 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.955 5.835 2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.578 9.316 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.844 7.396 2.537 1.00 0.00 H new ATOM 0 HH TYR A 34 7.598 9.135 1.358 1.00 0.00 H new ATOM 360 N MET A 35 1.345 2.611 1.594 1.00 0.00 N ATOM 361 CA MET A 35 0.554 1.694 2.410 1.00 0.00 C ATOM 362 C MET A 35 1.151 1.662 3.824 1.00 0.00 C ATOM 363 O MET A 35 2.358 1.855 3.986 1.00 0.00 O ATOM 364 CB MET A 35 0.597 0.304 1.760 1.00 0.00 C ATOM 365 CG MET A 35 0.093 0.307 0.310 1.00 0.00 C ATOM 366 SD MET A 35 0.477 -1.219 -0.577 1.00 0.00 S ATOM 367 CE MET A 35 -0.270 -0.801 -2.168 1.00 0.00 C ATOM 0 H MET A 35 2.214 2.195 1.259 1.00 0.00 H new ATOM 0 HA MET A 35 -0.485 2.017 2.476 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.620 -0.071 1.783 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.008 -0.386 2.348 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.986 0.460 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.536 1.150 -0.221 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.238 -1.347 -2.963 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.325 -1.074 -2.157 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.174 0.270 -2.345 1.00 0.00 H new ATOM 377 N HIS A 36 0.350 1.384 4.852 1.00 0.00 N ATOM 378 CA HIS A 36 0.792 1.334 6.256 1.00 0.00 C ATOM 379 C HIS A 36 2.059 0.473 6.515 1.00 0.00 C ATOM 380 O HIS A 36 2.832 0.772 7.430 1.00 0.00 O ATOM 381 CB HIS A 36 -0.399 0.847 7.094 1.00 0.00 C ATOM 382 CG HIS A 36 -0.119 0.813 8.573 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.024 1.933 9.395 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.050 -0.314 9.323 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.275 1.449 10.623 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.297 0.104 10.612 1.00 0.00 N ATOM 0 H HIS A 36 -0.643 1.183 4.736 1.00 0.00 H new ATOM 0 HA HIS A 36 1.104 2.338 6.545 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.254 1.498 6.909 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.682 -0.152 6.763 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.000 -1.335 8.974 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.437 2.058 11.500 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.467 -0.500 11.416 1.00 0.00 H new ATOM 394 N GLU A 37 2.296 -0.564 5.699 1.00 0.00 N ATOM 395 CA GLU A 37 3.472 -1.446 5.782 1.00 0.00 C ATOM 396 C GLU A 37 4.688 -0.966 4.955 1.00 0.00 C ATOM 397 O GLU A 37 5.812 -1.306 5.328 1.00 0.00 O ATOM 398 CB GLU A 37 3.120 -2.923 5.460 1.00 0.00 C ATOM 399 CG GLU A 37 2.087 -3.173 4.354 1.00 0.00 C ATOM 400 CD GLU A 37 0.646 -2.943 4.834 1.00 0.00 C ATOM 401 OE1 GLU A 37 0.088 -3.810 5.546 1.00 0.00 O ATOM 402 OE2 GLU A 37 0.087 -1.877 4.493 1.00 0.00 O ATOM 0 H GLU A 37 1.660 -0.820 4.944 1.00 0.00 H new ATOM 0 HA GLU A 37 3.785 -1.391 6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.041 -3.437 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.755 -3.390 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.295 -2.515 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.187 -4.196 3.992 1.00 0.00 H new ATOM 409 N LYS A 38 4.508 -0.167 3.884 1.00 0.00 N ATOM 410 CA LYS A 38 5.586 0.297 2.971 1.00 0.00 C ATOM 411 C LYS A 38 5.147 1.335 1.910 1.00 0.00 C ATOM 412 O LYS A 38 3.997 1.355 1.472 1.00 0.00 O ATOM 413 CB LYS A 38 6.338 -0.890 2.303 1.00 0.00 C ATOM 414 CG LYS A 38 5.626 -1.641 1.162 1.00 0.00 C ATOM 415 CD LYS A 38 4.281 -2.276 1.529 1.00 0.00 C ATOM 416 CE LYS A 38 3.771 -3.099 0.332 1.00 0.00 C ATOM 417 NZ LYS A 38 2.433 -3.717 0.591 1.00 0.00 N ATOM 0 H LYS A 38 3.588 0.185 3.619 1.00 0.00 H new ATOM 0 HA LYS A 38 6.275 0.828 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.284 -0.512 1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.579 -1.614 3.081 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.467 -0.947 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.290 -2.424 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.393 -2.915 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.558 -1.503 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.707 -2.456 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.492 -3.884 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.352 -4.606 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.332 -3.913 1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.684 -3.062 0.289 1.00 0.00 H new ATOM 431 N LYS A 39 6.088 2.151 1.418 1.00 0.00 N ATOM 432 CA LYS A 39 5.886 3.116 0.329 1.00 0.00 C ATOM 433 C LYS A 39 5.866 2.472 -1.077 1.00 0.00 C ATOM 434 O LYS A 39 6.581 1.497 -1.312 1.00 0.00 O ATOM 435 CB LYS A 39 6.970 4.201 0.483 1.00 0.00 C ATOM 436 CG LYS A 39 8.419 3.744 0.213 1.00 0.00 C ATOM 437 CD LYS A 39 9.436 4.895 0.298 1.00 0.00 C ATOM 438 CE LYS A 39 9.571 5.457 1.724 1.00 0.00 C ATOM 439 NZ LYS A 39 10.601 6.532 1.800 1.00 0.00 N ATOM 0 H LYS A 39 7.042 2.158 1.779 1.00 0.00 H new ATOM 0 HA LYS A 39 4.893 3.559 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.735 5.022 -0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.917 4.600 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.691 2.972 0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.473 3.291 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.409 4.542 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.132 5.695 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.609 5.851 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.835 4.651 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.663 6.885 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.524 6.149 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.336 7.312 1.166 1.00 0.00 H new ATOM 453 N LEU A 40 5.087 3.021 -2.018 1.00 0.00 N ATOM 454 CA LEU A 40 5.086 2.659 -3.447 1.00 0.00 C ATOM 455 C LEU A 40 4.869 3.880 -4.345 1.00 0.00 C ATOM 456 O LEU A 40 4.323 4.905 -3.941 1.00 0.00 O ATOM 457 CB LEU A 40 3.997 1.597 -3.745 1.00 0.00 C ATOM 458 CG LEU A 40 4.377 0.167 -3.335 1.00 0.00 C ATOM 459 CD1 LEU A 40 3.209 -0.794 -3.567 1.00 0.00 C ATOM 460 CD2 LEU A 40 5.590 -0.346 -4.127 1.00 0.00 C ATOM 0 H LEU A 40 4.415 3.756 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 40 6.068 2.242 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.080 1.879 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.777 1.610 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 40 4.628 0.202 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.502 -1.801 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.352 -0.475 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.940 -0.792 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.829 -1.361 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.356 -0.345 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.446 0.303 -3.942 1.00 0.00 H new ATOM 472 N ASP A 41 5.256 3.727 -5.603 1.00 0.00 N ATOM 473 CA ASP A 41 5.143 4.737 -6.652 1.00 0.00 C ATOM 474 C ASP A 41 5.300 4.068 -8.024 1.00 0.00 C ATOM 475 O ASP A 41 6.051 3.102 -8.154 1.00 0.00 O ATOM 476 CB ASP A 41 6.155 5.875 -6.422 1.00 0.00 C ATOM 477 CG ASP A 41 7.638 5.466 -6.503 1.00 0.00 C ATOM 478 OD1 ASP A 41 8.162 4.834 -5.553 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.293 5.832 -7.510 1.00 0.00 O ATOM 0 H ASP A 41 5.676 2.860 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 41 4.155 5.196 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.970 6.657 -7.159 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.969 6.311 -5.441 1.00 0.00 H new ATOM 484 N LEU A 42 4.563 4.530 -9.042 1.00 0.00 N ATOM 485 CA LEU A 42 4.482 3.832 -10.334 1.00 0.00 C ATOM 486 C LEU A 42 3.992 4.769 -11.447 1.00 0.00 C ATOM 487 O LEU A 42 4.810 5.447 -12.070 1.00 0.00 O ATOM 488 CB LEU A 42 3.667 2.520 -10.145 1.00 0.00 C ATOM 489 CG LEU A 42 3.895 1.402 -11.185 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.380 1.182 -11.475 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.383 0.076 -10.599 1.00 0.00 C ATOM 0 H LEU A 42 4.012 5.387 -8.997 1.00 0.00 H new ATOM 0 HA LEU A 42 5.470 3.529 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.896 2.117 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.607 2.775 -10.148 1.00 0.00 H new ATOM 0 HG LEU A 42 3.378 1.700 -12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.493 0.387 -12.212 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.815 2.102 -11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.892 0.900 -10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.537 -0.725 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.929 -0.152 -9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.320 0.163 -10.375 1.00 0.00 H new ATOM 503 N THR A 43 2.673 4.840 -11.659 1.00 0.00 N ATOM 504 CA THR A 43 1.987 5.848 -12.486 1.00 0.00 C ATOM 505 C THR A 43 0.726 6.307 -11.771 1.00 0.00 C ATOM 506 O THR A 43 0.310 5.660 -10.813 1.00 0.00 O ATOM 507 CB THR A 43 1.623 5.314 -13.882 1.00 0.00 C ATOM 508 OG1 THR A 43 0.508 4.469 -13.750 1.00 0.00 O ATOM 509 CG2 THR A 43 2.758 4.588 -14.608 1.00 0.00 C ATOM 0 H THR A 43 2.025 4.171 -11.244 1.00 0.00 H new ATOM 0 HA THR A 43 2.674 6.682 -12.628 1.00 0.00 H new ATOM 0 HB THR A 43 1.404 6.179 -14.508 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.700 3.605 -14.171 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.408 4.248 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.598 5.269 -14.742 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.077 3.729 -14.017 1.00 0.00 H new ATOM 517 N ARG A 44 0.064 7.350 -12.287 1.00 0.00 N ATOM 518 CA ARG A 44 -1.280 7.759 -11.849 1.00 0.00 C ATOM 519 C ARG A 44 -2.254 6.576 -11.875 1.00 0.00 C ATOM 520 O ARG A 44 -2.925 6.304 -10.883 1.00 0.00 O ATOM 521 CB ARG A 44 -1.770 8.908 -12.751 1.00 0.00 C ATOM 522 CG ARG A 44 -2.948 9.733 -12.196 1.00 0.00 C ATOM 523 CD ARG A 44 -4.342 9.087 -12.270 1.00 0.00 C ATOM 524 NE ARG A 44 -5.371 10.099 -11.959 1.00 0.00 N ATOM 525 CZ ARG A 44 -6.588 10.197 -12.483 1.00 0.00 C ATOM 526 NH1 ARG A 44 -7.119 9.257 -13.233 1.00 0.00 N ATOM 527 NH2 ARG A 44 -7.310 11.274 -12.251 1.00 0.00 N ATOM 0 H ARG A 44 0.447 7.939 -13.026 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.234 8.108 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.934 9.582 -12.938 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.064 8.490 -13.714 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.737 9.967 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.983 10.680 -12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.511 8.675 -13.265 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.408 8.258 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.119 10.802 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.592 8.407 -13.435 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.058 9.378 -13.613 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.934 12.025 -11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.245 11.357 -12.650 1.00 0.00 H new ATOM 541 N ALA A 45 -2.298 5.871 -13.008 1.00 0.00 N ATOM 542 CA ALA A 45 -3.182 4.738 -13.270 1.00 0.00 C ATOM 543 C ALA A 45 -2.973 3.606 -12.248 1.00 0.00 C ATOM 544 O ALA A 45 -3.927 3.173 -11.588 1.00 0.00 O ATOM 545 CB ALA A 45 -2.919 4.300 -14.715 1.00 0.00 C ATOM 0 H ALA A 45 -1.692 6.085 -13.800 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.229 5.020 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.558 3.452 -14.960 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.137 5.127 -15.391 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.874 4.009 -14.823 1.00 0.00 H new ATOM 551 N GLU A 46 -1.716 3.188 -12.058 1.00 0.00 N ATOM 552 CA GLU A 46 -1.361 2.132 -11.114 1.00 0.00 C ATOM 553 C GLU A 46 -1.650 2.550 -9.670 1.00 0.00 C ATOM 554 O GLU A 46 -2.180 1.759 -8.896 1.00 0.00 O ATOM 555 CB GLU A 46 0.104 1.751 -11.309 1.00 0.00 C ATOM 556 CG GLU A 46 0.257 0.739 -12.444 1.00 0.00 C ATOM 557 CD GLU A 46 -0.113 1.340 -13.812 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.756 2.016 -14.413 1.00 0.00 O ATOM 559 OE2 GLU A 46 -1.260 1.149 -14.280 1.00 0.00 O ATOM 0 H GLU A 46 -0.917 3.577 -12.558 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.980 1.257 -11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.690 2.643 -11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.501 1.330 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.286 0.381 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.376 -0.126 -12.246 1.00 0.00 H new ATOM 566 N TYR A 47 -1.392 3.817 -9.338 1.00 0.00 N ATOM 567 CA TYR A 47 -1.890 4.430 -8.085 1.00 0.00 C ATOM 568 C TYR A 47 -3.399 4.192 -7.891 1.00 0.00 C ATOM 569 O TYR A 47 -3.781 3.675 -6.836 1.00 0.00 O ATOM 570 CB TYR A 47 -1.454 5.912 -7.923 1.00 0.00 C ATOM 571 CG TYR A 47 -2.467 7.006 -7.563 1.00 0.00 C ATOM 572 CD1 TYR A 47 -3.467 6.849 -6.579 1.00 0.00 C ATOM 573 CD2 TYR A 47 -2.350 8.260 -8.196 1.00 0.00 C ATOM 574 CE1 TYR A 47 -4.416 7.863 -6.345 1.00 0.00 C ATOM 575 CE2 TYR A 47 -3.281 9.289 -7.963 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.342 9.081 -7.054 1.00 0.00 C ATOM 577 OH TYR A 47 -5.264 10.058 -6.827 1.00 0.00 O ATOM 0 H TYR A 47 -0.839 4.449 -9.917 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.403 3.912 -7.259 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.678 5.933 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.985 6.210 -8.861 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.505 5.939 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.528 8.435 -8.874 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.202 7.708 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.185 10.234 -8.477 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.068 10.831 -7.396 1.00 0.00 H new ATOM 587 N GLU A 48 -4.243 4.507 -8.887 1.00 0.00 N ATOM 588 CA GLU A 48 -5.696 4.244 -8.806 1.00 0.00 C ATOM 589 C GLU A 48 -5.964 2.782 -8.442 1.00 0.00 C ATOM 590 O GLU A 48 -6.763 2.513 -7.543 1.00 0.00 O ATOM 591 CB GLU A 48 -6.499 4.530 -10.094 1.00 0.00 C ATOM 592 CG GLU A 48 -6.088 5.796 -10.833 1.00 0.00 C ATOM 593 CD GLU A 48 -7.076 6.243 -11.920 1.00 0.00 C ATOM 594 OE1 GLU A 48 -8.295 6.358 -11.651 1.00 0.00 O ATOM 595 OE2 GLU A 48 -6.613 6.547 -13.045 1.00 0.00 O ATOM 0 H GLU A 48 -3.947 4.944 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.034 4.941 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.391 3.681 -10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.556 4.602 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.972 6.603 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.112 5.635 -11.290 1.00 0.00 H new ATOM 602 N ILE A 49 -5.263 1.846 -9.099 1.00 0.00 N ATOM 603 CA ILE A 49 -5.410 0.414 -8.772 1.00 0.00 C ATOM 604 C ILE A 49 -5.049 0.121 -7.320 1.00 0.00 C ATOM 605 O ILE A 49 -5.832 -0.520 -6.631 1.00 0.00 O ATOM 606 CB ILE A 49 -4.561 -0.527 -9.650 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.484 -0.100 -11.116 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.070 -1.973 -9.515 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.641 -1.035 -11.975 1.00 0.00 C ATOM 0 H ILE A 49 -4.599 2.046 -9.847 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.464 0.215 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.538 -0.465 -9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.493 -0.052 -11.526 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.069 0.906 -11.172 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.465 -2.631 -10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.996 -2.289 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.110 -2.024 -9.836 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.629 -0.673 -13.003 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.622 -1.064 -11.589 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.068 -2.038 -11.948 1.00 0.00 H new ATOM 621 N LEU A 50 -3.866 0.535 -6.864 1.00 0.00 N ATOM 622 CA LEU A 50 -3.352 0.204 -5.534 1.00 0.00 C ATOM 623 C LEU A 50 -4.271 0.762 -4.446 1.00 0.00 C ATOM 624 O LEU A 50 -4.598 0.046 -3.506 1.00 0.00 O ATOM 625 CB LEU A 50 -1.938 0.787 -5.387 1.00 0.00 C ATOM 626 CG LEU A 50 -0.831 -0.215 -5.738 1.00 0.00 C ATOM 627 CD1 LEU A 50 -0.864 -0.755 -7.179 1.00 0.00 C ATOM 628 CD2 LEU A 50 0.523 0.491 -5.567 1.00 0.00 C ATOM 0 H LEU A 50 -3.231 1.115 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.317 -0.879 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.844 1.662 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.798 1.129 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.985 -1.065 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.041 -1.455 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.810 -1.267 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.764 0.073 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.328 -0.202 -5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.571 1.352 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.632 0.824 -4.535 1.00 0.00 H new ATOM 640 N SER A 51 -4.716 2.009 -4.588 1.00 0.00 N ATOM 641 CA SER A 51 -5.692 2.635 -3.693 1.00 0.00 C ATOM 642 C SER A 51 -7.012 1.855 -3.644 1.00 0.00 C ATOM 643 O SER A 51 -7.475 1.490 -2.559 1.00 0.00 O ATOM 644 CB SER A 51 -5.959 4.076 -4.147 1.00 0.00 C ATOM 645 OG SER A 51 -4.824 4.893 -3.893 1.00 0.00 O ATOM 0 H SER A 51 -4.405 2.624 -5.340 1.00 0.00 H new ATOM 0 HA SER A 51 -5.269 2.631 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.195 4.091 -5.211 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.827 4.475 -3.622 1.00 0.00 H new ATOM 0 HG SER A 51 -4.767 5.085 -2.934 1.00 0.00 H new ATOM 651 N LEU A 52 -7.610 1.546 -4.805 1.00 0.00 N ATOM 652 CA LEU A 52 -8.865 0.792 -4.861 1.00 0.00 C ATOM 653 C LEU A 52 -8.677 -0.640 -4.346 1.00 0.00 C ATOM 654 O LEU A 52 -9.566 -1.164 -3.686 1.00 0.00 O ATOM 655 CB LEU A 52 -9.391 0.788 -6.308 1.00 0.00 C ATOM 656 CG LEU A 52 -10.922 0.800 -6.509 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.644 -0.403 -5.888 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.553 2.106 -5.999 1.00 0.00 C ATOM 0 H LEU A 52 -7.241 1.809 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.596 1.276 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.978 1.658 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.993 -0.095 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.060 0.728 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.715 -0.320 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.269 -1.323 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.462 -0.422 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.631 2.076 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.346 2.219 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.130 2.951 -6.542 1.00 0.00 H new ATOM 670 N LEU A 53 -7.533 -1.276 -4.609 1.00 0.00 N ATOM 671 CA LEU A 53 -7.268 -2.641 -4.161 1.00 0.00 C ATOM 672 C LEU A 53 -7.030 -2.687 -2.653 1.00 0.00 C ATOM 673 O LEU A 53 -7.707 -3.455 -1.980 1.00 0.00 O ATOM 674 CB LEU A 53 -6.148 -3.290 -4.990 1.00 0.00 C ATOM 675 CG LEU A 53 -5.841 -4.712 -4.465 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.649 -5.753 -5.572 1.00 0.00 C ATOM 677 CD2 LEU A 53 -4.721 -4.731 -3.408 1.00 0.00 C ATOM 0 H LEU A 53 -6.767 -0.858 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.155 -3.249 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.444 -3.339 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.249 -2.676 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.746 -5.027 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.437 -6.724 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.557 -5.819 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.815 -5.457 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.550 -5.755 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.804 -4.332 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.015 -4.119 -2.555 1.00 0.00 H new ATOM 689 N ILE A 54 -6.152 -1.857 -2.087 1.00 0.00 N ATOM 690 CA ILE A 54 -6.104 -1.718 -0.609 1.00 0.00 C ATOM 691 C ILE A 54 -7.493 -1.423 -0.001 1.00 0.00 C ATOM 692 O ILE A 54 -7.829 -1.987 1.042 1.00 0.00 O ATOM 693 CB ILE A 54 -5.069 -0.644 -0.201 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.632 -1.031 -0.607 1.00 0.00 C ATOM 695 CG2 ILE A 54 -5.118 -0.347 1.310 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.982 -2.127 0.242 1.00 0.00 C ATOM 0 H ILE A 54 -5.481 -1.284 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.786 -2.677 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.345 0.259 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.642 -1.358 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.007 -0.139 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.376 0.412 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.111 0.016 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.902 -1.259 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.975 -2.323 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.931 -1.801 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.576 -3.038 0.177 1.00 0.00 H new ATOM 708 N SER A 55 -8.328 -0.605 -0.649 1.00 0.00 N ATOM 709 CA SER A 55 -9.710 -0.369 -0.204 1.00 0.00 C ATOM 710 C SER A 55 -10.624 -1.619 -0.320 1.00 0.00 C ATOM 711 O SER A 55 -11.441 -1.859 0.574 1.00 0.00 O ATOM 712 CB SER A 55 -10.306 0.820 -0.976 1.00 0.00 C ATOM 713 OG SER A 55 -11.497 1.312 -0.368 1.00 0.00 O ATOM 0 H SER A 55 -8.070 -0.090 -1.491 1.00 0.00 H new ATOM 0 HA SER A 55 -9.666 -0.136 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.570 1.622 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.522 0.515 -2.000 1.00 0.00 H new ATOM 0 HG SER A 55 -11.842 2.067 -0.888 1.00 0.00 H new ATOM 719 N LYS A 56 -10.498 -2.440 -1.378 1.00 0.00 N ATOM 720 CA LYS A 56 -11.285 -3.677 -1.556 1.00 0.00 C ATOM 721 C LYS A 56 -10.868 -4.775 -0.557 1.00 0.00 C ATOM 722 O LYS A 56 -11.743 -5.433 0.011 1.00 0.00 O ATOM 723 CB LYS A 56 -11.274 -4.156 -3.040 1.00 0.00 C ATOM 724 CG LYS A 56 -10.272 -5.271 -3.426 1.00 0.00 C ATOM 725 CD LYS A 56 -10.436 -5.817 -4.857 1.00 0.00 C ATOM 726 CE LYS A 56 -9.787 -4.943 -5.948 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.287 -5.308 -7.302 1.00 0.00 N ATOM 0 H LYS A 56 -9.843 -2.264 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.324 -3.444 -1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.277 -4.505 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.073 -3.290 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.259 -4.885 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.379 -6.096 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.004 -6.816 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.499 -5.919 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.000 -3.893 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.704 -5.060 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.432 -4.444 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.590 -5.916 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.189 -5.818 -7.213 1.00 0.00 H new ATOM 741 N LYS A 57 -9.545 -4.934 -0.387 1.00 0.00 N ATOM 742 CA LYS A 57 -8.718 -5.913 0.354 1.00 0.00 C ATOM 743 C LYS A 57 -7.520 -6.394 -0.484 1.00 0.00 C ATOM 744 O LYS A 57 -7.553 -6.330 -1.711 1.00 0.00 O ATOM 745 CB LYS A 57 -9.500 -7.102 0.934 1.00 0.00 C ATOM 746 CG LYS A 57 -10.014 -8.129 -0.094 1.00 0.00 C ATOM 747 CD LYS A 57 -10.967 -9.131 0.570 1.00 0.00 C ATOM 748 CE LYS A 57 -11.482 -10.144 -0.465 1.00 0.00 C ATOM 749 NZ LYS A 57 -12.439 -11.114 0.136 1.00 0.00 N ATOM 0 H LYS A 57 -8.925 -4.265 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.344 -5.363 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.861 -7.620 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.353 -6.715 1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.528 -7.613 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.172 -8.660 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.452 -9.654 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.807 -8.601 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.969 -9.612 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.639 -10.685 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.763 -11.780 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.967 -11.640 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.256 -10.601 0.523 1.00 0.00 H new ATOM 763 N GLY A 58 -6.490 -6.937 0.184 1.00 0.00 N ATOM 764 CA GLY A 58 -5.211 -7.325 -0.430 1.00 0.00 C ATOM 765 C GLY A 58 -5.364 -8.169 -1.699 1.00 0.00 C ATOM 766 O GLY A 58 -4.813 -7.794 -2.729 1.00 0.00 O ATOM 0 H GLY A 58 -6.524 -7.122 1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.646 -6.424 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.624 -7.885 0.298 1.00 0.00 H new ATOM 770 N TYR A 59 -6.158 -9.247 -1.654 1.00 0.00 N ATOM 771 CA TYR A 59 -6.624 -9.959 -2.853 1.00 0.00 C ATOM 772 C TYR A 59 -5.437 -10.364 -3.754 1.00 0.00 C ATOM 773 O TYR A 59 -4.358 -10.734 -3.285 1.00 0.00 O ATOM 774 CB TYR A 59 -7.727 -9.079 -3.502 1.00 0.00 C ATOM 775 CG TYR A 59 -8.501 -9.687 -4.658 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.206 -10.893 -4.489 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.463 -9.071 -5.925 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.862 -11.492 -5.582 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.113 -9.666 -7.023 1.00 0.00 C ATOM 780 CZ TYR A 59 -9.814 -10.881 -6.857 1.00 0.00 C ATOM 781 OH TYR A 59 -10.436 -11.457 -7.923 1.00 0.00 O ATOM 0 H TYR A 59 -6.497 -9.652 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.082 -10.922 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.440 -8.802 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.263 -8.157 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.244 -11.362 -3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.933 -8.139 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.402 -12.418 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.076 -9.193 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.302 -10.902 -8.719 1.00 0.00 H new ATOM 791 N VAL A 60 -5.635 -10.290 -5.060 1.00 0.00 N ATOM 792 CA VAL A 60 -4.603 -10.425 -6.080 1.00 0.00 C ATOM 793 C VAL A 60 -4.753 -9.335 -7.150 1.00 0.00 C ATOM 794 O VAL A 60 -5.807 -9.171 -7.762 1.00 0.00 O ATOM 795 CB VAL A 60 -4.609 -11.868 -6.617 1.00 0.00 C ATOM 796 CG1 VAL A 60 -5.939 -12.310 -7.256 1.00 0.00 C ATOM 797 CG2 VAL A 60 -3.412 -12.124 -7.545 1.00 0.00 C ATOM 0 H VAL A 60 -6.560 -10.127 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.612 -10.261 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.504 -12.503 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.851 -13.339 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.737 -12.246 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.172 -11.659 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.446 -13.152 -7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.455 -11.439 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.485 -11.963 -6.995 1.00 0.00 H new ATOM 807 N PHE A 61 -3.676 -8.571 -7.347 1.00 0.00 N ATOM 808 CA PHE A 61 -3.455 -7.666 -8.476 1.00 0.00 C ATOM 809 C PHE A 61 -3.279 -8.506 -9.763 1.00 0.00 C ATOM 810 O PHE A 61 -2.167 -8.898 -10.113 1.00 0.00 O ATOM 811 CB PHE A 61 -2.219 -6.785 -8.172 1.00 0.00 C ATOM 812 CG PHE A 61 -2.396 -5.617 -7.205 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.069 -4.451 -7.608 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.867 -5.658 -5.902 1.00 0.00 C ATOM 815 CE1 PHE A 61 -3.163 -3.348 -6.737 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.903 -4.552 -5.053 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.554 -3.394 -5.470 1.00 0.00 C ATOM 0 H PHE A 61 -2.896 -8.567 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.307 -7.003 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.436 -7.432 -7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.853 -6.384 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.516 -4.400 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.419 -6.575 -5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.704 -2.465 -7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.431 -4.593 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.591 -2.532 -4.821 1.00 0.00 H new ATOM 827 N SER A 62 -4.388 -8.816 -10.441 1.00 0.00 N ATOM 828 CA SER A 62 -4.480 -9.705 -11.622 1.00 0.00 C ATOM 829 C SER A 62 -4.919 -8.958 -12.883 1.00 0.00 C ATOM 830 O SER A 62 -5.776 -8.087 -12.786 1.00 0.00 O ATOM 831 CB SER A 62 -5.577 -10.747 -11.383 1.00 0.00 C ATOM 832 OG SER A 62 -5.160 -11.746 -10.469 1.00 0.00 O ATOM 0 H SER A 62 -5.297 -8.439 -10.174 1.00 0.00 H new ATOM 0 HA SER A 62 -3.488 -10.135 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.470 -10.254 -11.000 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.850 -11.212 -12.330 1.00 0.00 H new ATOM 0 HG SER A 62 -4.432 -12.269 -10.865 1.00 0.00 H new ATOM 838 N ARG A 63 -4.432 -9.338 -14.073 1.00 0.00 N ATOM 839 CA ARG A 63 -4.606 -8.571 -15.326 1.00 0.00 C ATOM 840 C ARG A 63 -6.031 -8.053 -15.640 1.00 0.00 C ATOM 841 O ARG A 63 -6.176 -6.895 -16.027 1.00 0.00 O ATOM 842 CB ARG A 63 -3.964 -9.331 -16.507 1.00 0.00 C ATOM 843 CG ARG A 63 -4.726 -10.531 -17.100 1.00 0.00 C ATOM 844 CD ARG A 63 -4.627 -11.852 -16.325 1.00 0.00 C ATOM 845 NE ARG A 63 -3.301 -12.472 -16.498 1.00 0.00 N ATOM 846 CZ ARG A 63 -2.942 -13.685 -16.093 1.00 0.00 C ATOM 847 NH1 ARG A 63 -3.722 -14.443 -15.353 1.00 0.00 N ATOM 848 NH2 ARG A 63 -1.772 -14.170 -16.442 1.00 0.00 N ATOM 0 H ARG A 63 -3.898 -10.198 -14.199 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.071 -7.636 -15.159 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.793 -8.615 -17.311 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.985 -9.685 -16.183 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.779 -10.261 -17.182 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.361 -10.701 -18.113 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.811 -11.670 -15.266 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.400 -12.538 -16.670 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.591 -11.916 -16.975 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.641 -14.105 -15.069 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.407 -15.369 -15.063 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.143 -13.615 -17.022 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.493 -15.101 -16.133 1.00 0.00 H new ATOM 862 N GLU A 64 -7.082 -8.849 -15.408 1.00 0.00 N ATOM 863 CA GLU A 64 -8.481 -8.432 -15.618 1.00 0.00 C ATOM 864 C GLU A 64 -8.941 -7.425 -14.553 1.00 0.00 C ATOM 865 O GLU A 64 -9.423 -6.344 -14.874 1.00 0.00 O ATOM 866 CB GLU A 64 -9.384 -9.675 -15.600 1.00 0.00 C ATOM 867 CG GLU A 64 -10.785 -9.388 -16.155 1.00 0.00 C ATOM 868 CD GLU A 64 -11.631 -10.669 -16.187 1.00 0.00 C ATOM 869 OE1 GLU A 64 -12.302 -10.985 -15.176 1.00 0.00 O ATOM 870 OE2 GLU A 64 -11.633 -11.373 -17.225 1.00 0.00 O ATOM 0 H GLU A 64 -6.989 -9.806 -15.068 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.551 -7.934 -16.585 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.919 -10.467 -16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.470 -10.044 -14.578 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.278 -8.636 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.705 -8.974 -17.160 1.00 0.00 H new ATOM 877 N SER A 65 -8.757 -7.750 -13.271 1.00 0.00 N ATOM 878 CA SER A 65 -9.116 -6.845 -12.159 1.00 0.00 C ATOM 879 C SER A 65 -8.323 -5.523 -12.245 1.00 0.00 C ATOM 880 O SER A 65 -8.870 -4.432 -12.105 1.00 0.00 O ATOM 881 CB SER A 65 -8.883 -7.560 -10.814 1.00 0.00 C ATOM 882 OG SER A 65 -9.634 -6.967 -9.759 1.00 0.00 O ATOM 0 H SER A 65 -8.359 -8.639 -12.969 1.00 0.00 H new ATOM 0 HA SER A 65 -10.173 -6.589 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.158 -8.610 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.822 -7.529 -10.566 1.00 0.00 H new ATOM 0 HG SER A 65 -9.723 -7.606 -9.021 1.00 0.00 H new ATOM 888 N ILE A 66 -7.040 -5.620 -12.608 1.00 0.00 N ATOM 889 CA ILE A 66 -6.143 -4.500 -12.971 1.00 0.00 C ATOM 890 C ILE A 66 -6.736 -3.599 -14.059 1.00 0.00 C ATOM 891 O ILE A 66 -6.827 -2.385 -13.873 1.00 0.00 O ATOM 892 CB ILE A 66 -4.792 -5.105 -13.422 1.00 0.00 C ATOM 893 CG1 ILE A 66 -4.018 -5.639 -12.205 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.934 -4.170 -14.283 1.00 0.00 C ATOM 895 CD1 ILE A 66 -3.168 -4.585 -11.504 1.00 0.00 C ATOM 0 H ILE A 66 -6.568 -6.523 -12.662 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.005 -3.857 -12.102 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.033 -5.936 -14.085 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.727 -6.055 -11.489 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.373 -6.457 -12.527 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.006 -4.674 -14.554 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.481 -3.905 -15.188 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.704 -3.265 -13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.653 -5.038 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.434 -4.185 -12.204 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.809 -3.777 -11.150 1.00 0.00 H new ATOM 907 N ALA A 67 -7.140 -4.195 -15.180 1.00 0.00 N ATOM 908 CA ALA A 67 -7.759 -3.531 -16.320 1.00 0.00 C ATOM 909 C ALA A 67 -9.129 -2.942 -15.971 1.00 0.00 C ATOM 910 O ALA A 67 -9.547 -1.977 -16.602 1.00 0.00 O ATOM 911 CB ALA A 67 -7.906 -4.549 -17.454 1.00 0.00 C ATOM 0 H ALA A 67 -7.039 -5.200 -15.322 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.121 -2.701 -16.624 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.368 -4.069 -18.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.923 -4.927 -17.733 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.532 -5.377 -17.121 1.00 0.00 H new ATOM 917 N ILE A 68 -9.815 -3.489 -14.965 1.00 0.00 N ATOM 918 CA ILE A 68 -11.047 -2.896 -14.424 1.00 0.00 C ATOM 919 C ILE A 68 -10.716 -1.675 -13.541 1.00 0.00 C ATOM 920 O ILE A 68 -11.458 -0.687 -13.570 1.00 0.00 O ATOM 921 CB ILE A 68 -11.890 -3.984 -13.711 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.490 -4.953 -14.763 1.00 0.00 C ATOM 923 CG2 ILE A 68 -13.016 -3.382 -12.851 1.00 0.00 C ATOM 924 CD1 ILE A 68 -13.031 -6.263 -14.171 1.00 0.00 C ATOM 0 H ILE A 68 -9.536 -4.353 -14.501 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.667 -2.513 -15.234 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.224 -4.526 -13.039 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.297 -4.445 -15.291 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.724 -5.189 -15.502 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.577 -4.185 -12.373 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.584 -2.736 -12.087 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.685 -2.799 -13.484 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.433 -6.885 -14.971 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.224 -6.796 -13.668 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.821 -6.039 -13.454 1.00 0.00 H new ATOM 936 N GLU A 69 -9.599 -1.700 -12.802 1.00 0.00 N ATOM 937 CA GLU A 69 -9.244 -0.648 -11.847 1.00 0.00 C ATOM 938 C GLU A 69 -8.495 0.558 -12.450 1.00 0.00 C ATOM 939 O GLU A 69 -8.822 1.696 -12.108 1.00 0.00 O ATOM 940 CB GLU A 69 -8.424 -1.245 -10.693 1.00 0.00 C ATOM 941 CG GLU A 69 -9.094 -1.045 -9.338 1.00 0.00 C ATOM 942 CD GLU A 69 -10.391 -1.859 -9.215 1.00 0.00 C ATOM 943 OE1 GLU A 69 -10.305 -3.048 -8.837 1.00 0.00 O ATOM 944 OE2 GLU A 69 -11.491 -1.312 -9.463 1.00 0.00 O ATOM 0 H GLU A 69 -8.915 -2.455 -12.852 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.194 -0.251 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.277 -2.311 -10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.436 -0.785 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.405 -1.338 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.314 0.013 -9.194 1.00 0.00 H new ATOM 951 N SER A 70 -7.493 0.353 -13.316 1.00 0.00 N ATOM 952 CA SER A 70 -6.790 1.474 -13.978 1.00 0.00 C ATOM 953 C SER A 70 -7.489 1.859 -15.291 1.00 0.00 C ATOM 954 O SER A 70 -8.003 2.973 -15.417 1.00 0.00 O ATOM 955 CB SER A 70 -5.307 1.165 -14.247 1.00 0.00 C ATOM 956 OG SER A 70 -5.131 -0.088 -14.903 1.00 0.00 O ATOM 0 H SER A 70 -7.148 -0.571 -13.577 1.00 0.00 H new ATOM 0 HA SER A 70 -6.830 2.315 -13.286 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.877 1.958 -14.859 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.761 1.160 -13.303 1.00 0.00 H new ATOM 0 HG SER A 70 -4.176 -0.245 -15.057 1.00 0.00 H new ATOM 962 N GLU A 71 -7.512 0.930 -16.258 1.00 0.00 N ATOM 963 CA GLU A 71 -8.359 0.940 -17.461 1.00 0.00 C ATOM 964 C GLU A 71 -7.890 1.933 -18.552 1.00 0.00 C ATOM 965 O GLU A 71 -8.518 2.078 -19.601 1.00 0.00 O ATOM 966 CB GLU A 71 -9.837 1.105 -17.050 1.00 0.00 C ATOM 967 CG GLU A 71 -10.820 0.591 -18.111 1.00 0.00 C ATOM 968 CD GLU A 71 -12.260 0.564 -17.573 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.838 1.652 -17.334 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.847 -0.534 -17.425 1.00 0.00 O ATOM 0 H GLU A 71 -6.909 0.108 -16.220 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.256 -0.026 -17.955 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.009 0.571 -16.115 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.038 2.159 -16.857 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.771 1.228 -18.994 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.528 -0.411 -18.425 1.00 0.00 H new ATOM 977 N SER A 72 -6.731 2.568 -18.375 1.00 0.00 N ATOM 978 CA SER A 72 -6.061 3.459 -19.345 1.00 0.00 C ATOM 979 C SER A 72 -5.502 2.726 -20.595 1.00 0.00 C ATOM 980 O SER A 72 -4.647 3.253 -21.310 1.00 0.00 O ATOM 981 CB SER A 72 -4.916 4.195 -18.620 1.00 0.00 C ATOM 982 OG SER A 72 -5.318 4.743 -17.366 1.00 0.00 O ATOM 0 H SER A 72 -6.200 2.475 -17.509 1.00 0.00 H new ATOM 0 HA SER A 72 -6.814 4.153 -19.718 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.089 3.503 -18.461 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.543 4.996 -19.259 1.00 0.00 H new ATOM 0 HG SER A 72 -4.611 5.328 -17.023 1.00 0.00 H new ATOM 988 N ILE A 73 -5.937 1.483 -20.831 1.00 0.00 N ATOM 989 CA ILE A 73 -5.336 0.475 -21.721 1.00 0.00 C ATOM 990 C ILE A 73 -6.432 -0.108 -22.634 1.00 0.00 C ATOM 991 O ILE A 73 -7.536 -0.402 -22.169 1.00 0.00 O ATOM 992 CB ILE A 73 -4.675 -0.646 -20.869 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.802 -0.132 -19.695 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.872 -1.605 -21.765 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.498 0.575 -20.092 1.00 0.00 C ATOM 0 H ILE A 73 -6.777 1.127 -20.375 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.566 0.935 -22.341 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.501 -1.183 -20.402 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.399 0.557 -19.097 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.554 -0.978 -19.054 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.417 -2.382 -21.151 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.538 -2.064 -22.496 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.091 -1.050 -22.284 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.968 0.892 -19.194 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.870 -0.112 -20.660 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.729 1.447 -20.704 1.00 0.00 H new ATOM 1007 N ASN A 74 -6.149 -0.266 -23.935 1.00 0.00 N ATOM 1008 CA ASN A 74 -7.175 -0.600 -24.938 1.00 0.00 C ATOM 1009 C ASN A 74 -7.764 -2.033 -24.826 1.00 0.00 C ATOM 1010 O ASN A 74 -8.994 -2.140 -24.736 1.00 0.00 O ATOM 1011 CB ASN A 74 -6.656 -0.280 -26.353 1.00 0.00 C ATOM 1012 CG ASN A 74 -6.513 1.225 -26.583 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -7.489 1.966 -26.596 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -5.301 1.724 -26.761 1.00 0.00 N ATOM 0 H ASN A 74 -5.210 -0.167 -24.321 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.031 0.039 -24.721 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.691 -0.763 -26.503 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.339 -0.697 -27.093 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.179 2.726 -26.909 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.489 1.107 -26.750 1.00 0.00 H new ATOM 1021 N PRO A 75 -6.968 -3.130 -24.840 1.00 0.00 N ATOM 1022 CA PRO A 75 -7.490 -4.495 -24.728 1.00 0.00 C ATOM 1023 C PRO A 75 -7.935 -4.831 -23.295 1.00 0.00 C ATOM 1024 O PRO A 75 -7.319 -4.391 -22.325 1.00 0.00 O ATOM 1025 CB PRO A 75 -6.356 -5.415 -25.191 1.00 0.00 C ATOM 1026 CG PRO A 75 -5.098 -4.616 -24.855 1.00 0.00 C ATOM 1027 CD PRO A 75 -5.539 -3.181 -25.136 1.00 0.00 C ATOM 0 HA PRO A 75 -8.383 -4.619 -25.340 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.376 -6.372 -24.670 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.423 -5.631 -26.257 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.795 -4.752 -23.817 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.252 -4.910 -25.476 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.987 -2.475 -24.515 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.346 -2.911 -26.174 1.00 0.00 H new ATOM 1035 N GLU A 76 -8.975 -5.664 -23.168 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.557 -6.084 -21.883 1.00 0.00 C ATOM 1037 C GLU A 76 -8.634 -7.015 -21.072 1.00 0.00 C ATOM 1038 O GLU A 76 -8.761 -7.109 -19.851 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.890 -6.804 -22.152 1.00 0.00 C ATOM 1040 CG GLU A 76 -11.988 -5.917 -22.761 1.00 0.00 C ATOM 1041 CD GLU A 76 -12.459 -4.821 -21.792 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -13.167 -5.142 -20.808 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.157 -3.626 -22.024 1.00 0.00 O ATOM 0 H GLU A 76 -9.448 -6.075 -23.973 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.703 -5.184 -21.286 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.705 -7.642 -22.824 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.257 -7.221 -21.215 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.613 -5.455 -23.674 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.838 -6.538 -23.044 1.00 0.00 H new ATOM 1050 N SER A 77 -7.691 -7.697 -21.728 1.00 0.00 N ATOM 1051 CA SER A 77 -6.661 -8.515 -21.071 1.00 0.00 C ATOM 1052 C SER A 77 -5.506 -7.675 -20.504 1.00 0.00 C ATOM 1053 O SER A 77 -4.903 -8.073 -19.510 1.00 0.00 O ATOM 1054 CB SER A 77 -6.112 -9.533 -22.083 1.00 0.00 C ATOM 1055 OG SER A 77 -5.624 -8.886 -23.257 1.00 0.00 O ATOM 0 H SER A 77 -7.618 -7.698 -22.745 1.00 0.00 H new ATOM 0 HA SER A 77 -7.129 -9.020 -20.226 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.310 -10.110 -21.623 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.897 -10.239 -22.354 1.00 0.00 H new ATOM 0 HG SER A 77 -5.280 -9.558 -23.882 1.00 0.00 H new ATOM 1061 N SER A 78 -5.193 -6.519 -21.112 1.00 0.00 N ATOM 1062 CA SER A 78 -4.168 -5.560 -20.651 1.00 0.00 C ATOM 1063 C SER A 78 -2.781 -6.194 -20.406 1.00 0.00 C ATOM 1064 O SER A 78 -2.048 -5.793 -19.499 1.00 0.00 O ATOM 1065 CB SER A 78 -4.690 -4.785 -19.430 1.00 0.00 C ATOM 1066 OG SER A 78 -5.701 -3.863 -19.807 1.00 0.00 O ATOM 0 H SER A 78 -5.660 -6.214 -21.966 1.00 0.00 H new ATOM 0 HA SER A 78 -3.996 -4.855 -21.464 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.087 -5.484 -18.694 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.867 -4.253 -18.953 1.00 0.00 H new ATOM 0 HG SER A 78 -6.140 -4.176 -20.625 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.388 -7.186 -21.215 1.00 0.00 N ATOM 1073 CA ASN A 79 -1.182 -7.993 -20.973 1.00 0.00 C ATOM 1074 C ASN A 79 0.126 -7.167 -21.007 1.00 0.00 C ATOM 1075 O ASN A 79 1.089 -7.506 -20.322 1.00 0.00 O ATOM 1076 CB ASN A 79 -1.157 -9.162 -21.976 1.00 0.00 C ATOM 1077 CG ASN A 79 -0.448 -10.411 -21.442 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -1.022 -11.492 -21.400 1.00 0.00 O ATOM 1079 ND2 ASN A 79 0.800 -10.323 -21.012 1.00 0.00 N ATOM 0 H ASN A 79 -2.897 -7.453 -22.058 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.233 -8.385 -19.957 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.181 -9.422 -22.244 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.661 -8.835 -22.890 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.274 -11.150 -20.650 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.288 -9.428 -21.042 1.00 0.00 H new ATOM 1086 N LYS A 80 0.173 -6.056 -21.752 1.00 0.00 N ATOM 1087 CA LYS A 80 1.302 -5.106 -21.708 1.00 0.00 C ATOM 1088 C LYS A 80 1.211 -4.120 -20.532 1.00 0.00 C ATOM 1089 O LYS A 80 2.248 -3.664 -20.050 1.00 0.00 O ATOM 1090 CB LYS A 80 1.438 -4.396 -23.068 1.00 0.00 C ATOM 1091 CG LYS A 80 1.782 -5.394 -24.191 1.00 0.00 C ATOM 1092 CD LYS A 80 2.067 -4.713 -25.540 1.00 0.00 C ATOM 1093 CE LYS A 80 3.353 -3.866 -25.576 1.00 0.00 C ATOM 1094 NZ LYS A 80 4.593 -4.691 -25.493 1.00 0.00 N ATOM 0 H LYS A 80 -0.566 -5.787 -22.402 1.00 0.00 H new ATOM 0 HA LYS A 80 2.214 -5.675 -21.525 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.506 -3.883 -23.307 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.215 -3.634 -23.006 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.653 -5.978 -23.895 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.955 -6.094 -24.312 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.132 -5.480 -26.312 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.221 -4.075 -25.795 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.372 -3.282 -26.496 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.338 -3.157 -24.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.426 -4.069 -25.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.593 -5.229 -24.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.626 -5.351 -26.296 1.00 0.00 H new ATOM 1108 N SER A 81 0.014 -3.866 -19.987 1.00 0.00 N ATOM 1109 CA SER A 81 -0.112 -3.201 -18.684 1.00 0.00 C ATOM 1110 C SER A 81 0.575 -4.039 -17.607 1.00 0.00 C ATOM 1111 O SER A 81 1.569 -3.580 -17.064 1.00 0.00 O ATOM 1112 CB SER A 81 -1.570 -2.907 -18.311 1.00 0.00 C ATOM 1113 OG SER A 81 -1.609 -1.958 -17.257 1.00 0.00 O ATOM 0 H SER A 81 -0.875 -4.109 -20.425 1.00 0.00 H new ATOM 0 HA SER A 81 0.384 -2.233 -18.757 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.108 -2.525 -19.178 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.070 -3.826 -18.005 1.00 0.00 H new ATOM 0 HG SER A 81 -2.541 -1.770 -17.021 1.00 0.00 H new ATOM 1119 N ILE A 82 0.166 -5.292 -17.342 1.00 0.00 N ATOM 1120 CA ILE A 82 0.814 -6.077 -16.271 1.00 0.00 C ATOM 1121 C ILE A 82 2.325 -6.250 -16.462 1.00 0.00 C ATOM 1122 O ILE A 82 3.055 -6.182 -15.481 1.00 0.00 O ATOM 1123 CB ILE A 82 0.145 -7.438 -16.024 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -0.054 -8.296 -17.286 1.00 0.00 C ATOM 1125 CG2 ILE A 82 -1.170 -7.237 -15.250 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.076 -9.801 -16.988 1.00 0.00 C ATOM 0 H ILE A 82 -0.586 -5.773 -17.836 1.00 0.00 H new ATOM 0 HA ILE A 82 0.669 -5.470 -15.377 1.00 0.00 H new ATOM 0 HB ILE A 82 0.840 -8.020 -15.418 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.990 -8.013 -17.768 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.747 -8.083 -17.994 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.642 -8.204 -15.077 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.960 -6.759 -14.293 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.841 -6.605 -15.831 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.219 -10.354 -17.916 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.869 -10.096 -16.533 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.894 -10.024 -16.303 1.00 0.00 H new ATOM 1138 N ASP A 83 2.800 -6.392 -17.698 1.00 0.00 N ATOM 1139 CA ASP A 83 4.232 -6.396 -18.025 1.00 0.00 C ATOM 1140 C ASP A 83 4.943 -5.091 -17.603 1.00 0.00 C ATOM 1141 O ASP A 83 5.979 -5.161 -16.936 1.00 0.00 O ATOM 1142 CB ASP A 83 4.413 -6.666 -19.522 1.00 0.00 C ATOM 1143 CG ASP A 83 5.896 -6.802 -19.902 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.513 -7.838 -19.556 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.434 -5.881 -20.562 1.00 0.00 O ATOM 0 H ASP A 83 2.198 -6.509 -18.513 1.00 0.00 H new ATOM 0 HA ASP A 83 4.704 -7.194 -17.452 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.883 -7.579 -19.793 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.964 -5.855 -20.095 1.00 0.00 H new ATOM 1150 N VAL A 84 4.374 -3.915 -17.920 1.00 0.00 N ATOM 1151 CA VAL A 84 4.870 -2.622 -17.389 1.00 0.00 C ATOM 1152 C VAL A 84 4.766 -2.576 -15.865 1.00 0.00 C ATOM 1153 O VAL A 84 5.705 -2.132 -15.215 1.00 0.00 O ATOM 1154 CB VAL A 84 4.140 -1.384 -17.972 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.466 -0.059 -17.253 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.537 -1.211 -19.450 1.00 0.00 C ATOM 0 H VAL A 84 3.570 -3.828 -18.541 1.00 0.00 H new ATOM 0 HA VAL A 84 5.912 -2.570 -17.703 1.00 0.00 H new ATOM 0 HB VAL A 84 3.076 -1.580 -17.839 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.915 0.755 -17.723 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.179 -0.134 -16.204 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.536 0.139 -17.323 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.026 -0.342 -19.865 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.615 -1.067 -19.523 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.251 -2.101 -20.010 1.00 0.00 H new ATOM 1166 N ILE A 85 3.644 -3.010 -15.286 1.00 0.00 N ATOM 1167 CA ILE A 85 3.361 -2.839 -13.856 1.00 0.00 C ATOM 1168 C ILE A 85 4.351 -3.692 -13.063 1.00 0.00 C ATOM 1169 O ILE A 85 5.047 -3.158 -12.209 1.00 0.00 O ATOM 1170 CB ILE A 85 1.871 -3.143 -13.528 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.803 -2.309 -14.299 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.588 -2.981 -12.019 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.280 -1.110 -15.132 1.00 0.00 C ATOM 0 H ILE A 85 2.903 -3.491 -15.796 1.00 0.00 H new ATOM 0 HA ILE A 85 3.501 -1.798 -13.563 1.00 0.00 H new ATOM 0 HB ILE A 85 1.761 -4.174 -13.864 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.270 -2.986 -14.966 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.079 -1.942 -13.572 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.539 -3.200 -11.820 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.216 -3.671 -11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.809 -1.958 -11.715 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.423 -0.633 -15.607 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.781 -0.392 -14.483 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.975 -1.453 -15.898 1.00 0.00 H new ATOM 1185 N ILE A 86 4.510 -4.970 -13.411 1.00 0.00 N ATOM 1186 CA ILE A 86 5.497 -5.880 -12.807 1.00 0.00 C ATOM 1187 C ILE A 86 6.922 -5.356 -13.010 1.00 0.00 C ATOM 1188 O ILE A 86 7.653 -5.219 -12.032 1.00 0.00 O ATOM 1189 CB ILE A 86 5.295 -7.314 -13.359 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.970 -7.873 -12.789 1.00 0.00 C ATOM 1191 CG2 ILE A 86 6.485 -8.236 -13.022 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.569 -9.238 -13.358 1.00 0.00 C ATOM 0 H ILE A 86 3.947 -5.415 -14.135 1.00 0.00 H new ATOM 0 HA ILE A 86 5.342 -5.922 -11.729 1.00 0.00 H new ATOM 0 HB ILE A 86 5.243 -7.275 -14.447 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.059 -7.955 -11.706 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.171 -7.159 -12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.301 -9.231 -13.428 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.396 -7.828 -13.460 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.600 -8.301 -11.940 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.630 -9.559 -12.907 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.445 -9.160 -14.438 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.347 -9.968 -13.134 1.00 0.00 H new ATOM 1204 N GLY A 87 7.320 -5.023 -14.244 1.00 0.00 N ATOM 1205 CA GLY A 87 8.697 -4.605 -14.543 1.00 0.00 C ATOM 1206 C GLY A 87 9.084 -3.297 -13.851 1.00 0.00 C ATOM 1207 O GLY A 87 10.193 -3.172 -13.331 1.00 0.00 O ATOM 0 H GLY A 87 6.704 -5.035 -15.057 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.386 -5.391 -14.234 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.810 -4.488 -15.621 1.00 0.00 H new ATOM 1211 N ARG A 88 8.161 -2.332 -13.791 1.00 0.00 N ATOM 1212 CA ARG A 88 8.399 -0.995 -13.240 1.00 0.00 C ATOM 1213 C ARG A 88 8.179 -0.931 -11.714 1.00 0.00 C ATOM 1214 O ARG A 88 8.944 -0.235 -11.056 1.00 0.00 O ATOM 1215 CB ARG A 88 7.584 0.026 -14.061 1.00 0.00 C ATOM 1216 CG ARG A 88 7.990 1.498 -13.877 1.00 0.00 C ATOM 1217 CD ARG A 88 9.315 1.841 -14.573 1.00 0.00 C ATOM 1218 NE ARG A 88 9.539 3.299 -14.602 1.00 0.00 N ATOM 1219 CZ ARG A 88 10.539 3.930 -15.208 1.00 0.00 C ATOM 1220 NH1 ARG A 88 11.495 3.283 -15.843 1.00 0.00 N ATOM 1221 NH2 ARG A 88 10.591 5.245 -15.186 1.00 0.00 N ATOM 0 H ARG A 88 7.208 -2.462 -14.131 1.00 0.00 H new ATOM 0 HA ARG A 88 9.452 -0.731 -13.342 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.674 -0.228 -15.117 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.532 -0.078 -13.797 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.201 2.140 -14.270 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.077 1.716 -12.813 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.139 1.354 -14.052 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.306 1.451 -15.591 1.00 0.00 H new ATOM 0 HE ARG A 88 8.860 3.879 -14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.483 2.264 -15.881 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.247 3.801 -16.297 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.865 5.776 -14.705 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.357 5.733 -15.650 1.00 0.00 H new ATOM 1235 N LEU A 89 7.268 -1.707 -11.107 1.00 0.00 N ATOM 1236 CA LEU A 89 7.205 -1.912 -9.644 1.00 0.00 C ATOM 1237 C LEU A 89 8.484 -2.626 -9.171 1.00 0.00 C ATOM 1238 O LEU A 89 9.137 -2.136 -8.251 1.00 0.00 O ATOM 1239 CB LEU A 89 5.903 -2.675 -9.313 1.00 0.00 C ATOM 1240 CG LEU A 89 5.340 -2.502 -7.891 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.985 -3.222 -7.795 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.271 -3.028 -6.792 1.00 0.00 C ATOM 0 H LEU A 89 6.547 -2.216 -11.618 1.00 0.00 H new ATOM 0 HA LEU A 89 7.169 -0.966 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.136 -2.363 -10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.079 -3.737 -9.482 1.00 0.00 H new ATOM 0 HG LEU A 89 5.234 -1.430 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.580 -3.103 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.292 -2.792 -8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.120 -4.282 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.808 -2.872 -5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.448 -4.093 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.220 -2.493 -6.832 1.00 0.00 H new ATOM 1254 N ARG A 90 8.929 -3.688 -9.863 1.00 0.00 N ATOM 1255 CA ARG A 90 10.259 -4.283 -9.627 1.00 0.00 C ATOM 1256 C ARG A 90 11.391 -3.256 -9.776 1.00 0.00 C ATOM 1257 O ARG A 90 12.289 -3.224 -8.941 1.00 0.00 O ATOM 1258 CB ARG A 90 10.508 -5.491 -10.543 1.00 0.00 C ATOM 1259 CG ARG A 90 9.725 -6.732 -10.083 1.00 0.00 C ATOM 1260 CD ARG A 90 9.891 -7.891 -11.073 1.00 0.00 C ATOM 1261 NE ARG A 90 11.281 -8.388 -11.104 1.00 0.00 N ATOM 1262 CZ ARG A 90 11.964 -8.817 -12.163 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.439 -8.860 -13.371 1.00 0.00 N ATOM 1264 NH2 ARG A 90 13.207 -9.216 -12.013 1.00 0.00 N ATOM 0 H ARG A 90 8.388 -4.154 -10.591 1.00 0.00 H new ATOM 0 HA ARG A 90 10.261 -4.629 -8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.220 -5.238 -11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.574 -5.720 -10.560 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.073 -7.040 -9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.668 -6.483 -9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.220 -8.704 -10.797 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.600 -7.562 -12.071 1.00 0.00 H new ATOM 0 HE ARG A 90 11.775 -8.405 -10.212 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.476 -8.558 -13.520 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.995 -9.195 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.641 -9.196 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.737 -9.546 -12.819 1.00 0.00 H new ATOM 1278 N SER A 91 11.332 -2.364 -10.766 1.00 0.00 N ATOM 1279 CA SER A 91 12.286 -1.248 -10.879 1.00 0.00 C ATOM 1280 C SER A 91 12.280 -0.345 -9.636 1.00 0.00 C ATOM 1281 O SER A 91 13.346 -0.077 -9.076 1.00 0.00 O ATOM 1282 CB SER A 91 12.058 -0.443 -12.166 1.00 0.00 C ATOM 1283 OG SER A 91 13.158 0.421 -12.417 1.00 0.00 O ATOM 0 H SER A 91 10.632 -2.389 -11.507 1.00 0.00 H new ATOM 0 HA SER A 91 13.281 -1.689 -10.938 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.923 -1.123 -13.007 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.142 0.141 -12.078 1.00 0.00 H new ATOM 0 HG SER A 91 12.996 0.925 -13.242 1.00 0.00 H new ATOM 1289 N LYS A 92 11.102 0.041 -9.113 1.00 0.00 N ATOM 1290 CA LYS A 92 11.053 0.771 -7.835 1.00 0.00 C ATOM 1291 C LYS A 92 11.668 -0.011 -6.655 1.00 0.00 C ATOM 1292 O LYS A 92 12.470 0.565 -5.922 1.00 0.00 O ATOM 1293 CB LYS A 92 9.623 1.257 -7.531 1.00 0.00 C ATOM 1294 CG LYS A 92 9.332 2.638 -8.137 1.00 0.00 C ATOM 1295 CD LYS A 92 9.124 2.623 -9.660 1.00 0.00 C ATOM 1296 CE LYS A 92 8.618 3.957 -10.237 1.00 0.00 C ATOM 1297 NZ LYS A 92 9.497 5.113 -9.909 1.00 0.00 N ATOM 0 H LYS A 92 10.194 -0.135 -9.543 1.00 0.00 H new ATOM 0 HA LYS A 92 11.688 1.649 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.906 0.534 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.478 1.299 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.441 3.051 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.158 3.308 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.067 2.365 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.412 1.837 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.536 3.868 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.616 4.152 -9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.338 5.876 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.276 5.457 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.492 4.814 -9.948 1.00 0.00 H new ATOM 1311 N ILE A 93 11.366 -1.303 -6.455 1.00 0.00 N ATOM 1312 CA ILE A 93 11.926 -2.064 -5.300 1.00 0.00 C ATOM 1313 C ILE A 93 13.418 -2.402 -5.462 1.00 0.00 C ATOM 1314 O ILE A 93 14.116 -2.571 -4.463 1.00 0.00 O ATOM 1315 CB ILE A 93 11.073 -3.301 -4.903 1.00 0.00 C ATOM 1316 CG1 ILE A 93 11.250 -4.563 -5.782 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.587 -2.926 -4.881 1.00 0.00 C ATOM 1318 CD1 ILE A 93 12.391 -5.501 -5.363 1.00 0.00 C ATOM 0 H ILE A 93 10.749 -1.845 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 93 11.864 -1.379 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 93 11.447 -3.576 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.317 -5.126 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.421 -4.247 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.996 -3.798 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.423 -2.129 -4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.284 -2.583 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.430 -6.353 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.338 -4.962 -5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.217 -5.855 -4.347 1.00 0.00 H new ATOM 1330 N GLU A 94 13.917 -2.474 -6.698 1.00 0.00 N ATOM 1331 CA GLU A 94 15.337 -2.673 -6.999 1.00 0.00 C ATOM 1332 C GLU A 94 16.154 -1.391 -6.740 1.00 0.00 C ATOM 1333 O GLU A 94 17.243 -1.456 -6.164 1.00 0.00 O ATOM 1334 CB GLU A 94 15.475 -3.152 -8.456 1.00 0.00 C ATOM 1335 CG GLU A 94 16.918 -3.500 -8.834 1.00 0.00 C ATOM 1336 CD GLU A 94 16.981 -4.089 -10.251 1.00 0.00 C ATOM 1337 OE1 GLU A 94 17.042 -3.312 -11.234 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.981 -5.335 -10.395 1.00 0.00 O ATOM 0 H GLU A 94 13.336 -2.394 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 94 15.743 -3.435 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.844 -4.028 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.107 -2.375 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.539 -2.606 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.324 -4.216 -8.119 1.00 0.00 H new ATOM 1345 N LYS A 95 15.636 -0.219 -7.136 1.00 0.00 N ATOM 1346 CA LYS A 95 16.326 1.069 -6.979 1.00 0.00 C ATOM 1347 C LYS A 95 16.226 1.652 -5.553 1.00 0.00 C ATOM 1348 O LYS A 95 17.214 2.169 -5.024 1.00 0.00 O ATOM 1349 CB LYS A 95 15.769 2.033 -8.043 1.00 0.00 C ATOM 1350 CG LYS A 95 16.554 3.356 -8.099 1.00 0.00 C ATOM 1351 CD LYS A 95 16.113 4.271 -9.253 1.00 0.00 C ATOM 1352 CE LYS A 95 16.469 3.676 -10.626 1.00 0.00 C ATOM 1353 NZ LYS A 95 16.168 4.623 -11.734 1.00 0.00 N ATOM 0 H LYS A 95 14.720 -0.138 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 95 17.395 0.917 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.803 1.551 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.721 2.243 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.429 3.886 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.617 3.137 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.037 4.434 -9.196 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.589 5.246 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.528 3.417 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.912 2.751 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.422 4.186 -12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.153 4.850 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.719 5.496 -11.604 1.00 0.00 H new ATOM 1367 N ASN A 96 15.049 1.581 -4.922 1.00 0.00 N ATOM 1368 CA ASN A 96 14.789 2.143 -3.587 1.00 0.00 C ATOM 1369 C ASN A 96 15.354 1.249 -2.450 1.00 0.00 C ATOM 1370 O ASN A 96 15.558 0.049 -2.666 1.00 0.00 O ATOM 1371 CB ASN A 96 13.267 2.353 -3.413 1.00 0.00 C ATOM 1372 CG ASN A 96 12.637 3.344 -4.400 1.00 0.00 C ATOM 1373 OD1 ASN A 96 13.305 4.090 -5.107 1.00 0.00 O ATOM 1374 ND2 ASN A 96 11.316 3.393 -4.451 1.00 0.00 N ATOM 0 H ASN A 96 14.234 1.123 -5.330 1.00 0.00 H new ATOM 0 HA ASN A 96 15.306 3.100 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.767 1.390 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.076 2.702 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.854 4.051 -5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.760 2.773 -3.863 1.00 0.00 H new ATOM 1381 N PRO A 97 15.547 1.789 -1.223 1.00 0.00 N ATOM 1382 CA PRO A 97 15.826 0.984 -0.028 1.00 0.00 C ATOM 1383 C PRO A 97 14.605 0.162 0.433 1.00 0.00 C ATOM 1384 O PRO A 97 14.770 -0.839 1.129 1.00 0.00 O ATOM 1385 CB PRO A 97 16.263 1.988 1.043 1.00 0.00 C ATOM 1386 CG PRO A 97 15.535 3.270 0.647 1.00 0.00 C ATOM 1387 CD PRO A 97 15.543 3.209 -0.880 1.00 0.00 C ATOM 0 HA PRO A 97 16.597 0.241 -0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.980 1.658 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.344 2.125 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.521 3.298 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.048 4.157 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.668 3.709 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.421 3.712 -1.287 1.00 0.00 H new ATOM 1395 N LYS A 98 13.386 0.549 0.026 1.00 0.00 N ATOM 1396 CA LYS A 98 12.144 -0.221 0.204 1.00 0.00 C ATOM 1397 C LYS A 98 12.243 -1.643 -0.399 1.00 0.00 C ATOM 1398 O LYS A 98 12.741 -1.817 -1.510 1.00 0.00 O ATOM 1399 CB LYS A 98 11.001 0.617 -0.416 1.00 0.00 C ATOM 1400 CG LYS A 98 9.602 -0.011 -0.302 1.00 0.00 C ATOM 1401 CD LYS A 98 9.204 -0.875 -1.514 1.00 0.00 C ATOM 1402 CE LYS A 98 7.885 -1.586 -1.183 1.00 0.00 C ATOM 1403 NZ LYS A 98 7.523 -2.651 -2.174 1.00 0.00 N ATOM 0 H LYS A 98 13.232 1.437 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 98 11.948 -0.391 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.985 1.595 0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.223 0.784 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.562 -0.625 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.867 0.784 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.089 -0.254 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.984 -1.604 -1.734 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.959 -2.032 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.083 -0.849 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.551 -2.975 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.588 -2.265 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.179 -3.453 -2.077 1.00 0.00 H new ATOM 1417 N GLN A 99 11.678 -2.653 0.278 1.00 0.00 N ATOM 1418 CA GLN A 99 11.656 -4.064 -0.155 1.00 0.00 C ATOM 1419 C GLN A 99 10.279 -4.701 0.156 1.00 0.00 C ATOM 1420 O GLN A 99 9.574 -4.202 1.039 1.00 0.00 O ATOM 1421 CB GLN A 99 12.790 -4.842 0.553 1.00 0.00 C ATOM 1422 CG GLN A 99 14.197 -4.493 0.020 1.00 0.00 C ATOM 1423 CD GLN A 99 15.331 -5.335 0.623 1.00 0.00 C ATOM 1424 OE1 GLN A 99 15.177 -6.078 1.587 1.00 0.00 O ATOM 1425 NE2 GLN A 99 16.528 -5.251 0.074 1.00 0.00 N ATOM 0 H GLN A 99 11.208 -2.509 1.172 1.00 0.00 H new ATOM 0 HA GLN A 99 11.816 -4.111 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.752 -4.633 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.618 -5.911 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.204 -4.619 -1.063 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.397 -3.440 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.679 -4.640 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.302 -5.797 0.452 1.00 0.00 H new ATOM 1434 N PRO A 100 9.867 -5.770 -0.561 1.00 0.00 N ATOM 1435 CA PRO A 100 8.611 -6.482 -0.310 1.00 0.00 C ATOM 1436 C PRO A 100 8.697 -7.391 0.923 1.00 0.00 C ATOM 1437 O PRO A 100 9.776 -7.696 1.433 1.00 0.00 O ATOM 1438 CB PRO A 100 8.342 -7.280 -1.594 1.00 0.00 C ATOM 1439 CG PRO A 100 9.748 -7.616 -2.085 1.00 0.00 C ATOM 1440 CD PRO A 100 10.546 -6.367 -1.712 1.00 0.00 C ATOM 0 HA PRO A 100 7.798 -5.792 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.757 -8.178 -1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.787 -6.693 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.143 -8.508 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 100 9.767 -7.802 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.576 -6.624 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.584 -5.667 -2.547 1.00 0.00 H new ATOM 1448 N GLN A 101 7.516 -7.831 1.371 1.00 0.00 N ATOM 1449 CA GLN A 101 7.290 -8.729 2.510 1.00 0.00 C ATOM 1450 C GLN A 101 5.820 -9.178 2.581 1.00 0.00 C ATOM 1451 O GLN A 101 5.566 -10.373 2.739 1.00 0.00 O ATOM 1452 CB GLN A 101 7.781 -8.106 3.835 1.00 0.00 C ATOM 1453 CG GLN A 101 7.310 -6.668 4.123 1.00 0.00 C ATOM 1454 CD GLN A 101 7.904 -6.148 5.434 1.00 0.00 C ATOM 1455 OE1 GLN A 101 7.270 -6.171 6.484 1.00 0.00 O ATOM 1456 NE2 GLN A 101 9.140 -5.687 5.449 1.00 0.00 N ATOM 0 H GLN A 101 6.642 -7.554 0.923 1.00 0.00 H new ATOM 0 HA GLN A 101 7.889 -9.626 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.455 -8.745 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.871 -8.117 3.836 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.604 -6.014 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.222 -6.642 4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.684 -5.659 4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.551 -5.358 6.323 1.00 0.00 H new ATOM 1465 N TYR A 102 4.849 -8.261 2.413 1.00 0.00 N ATOM 1466 CA TYR A 102 3.411 -8.620 2.423 1.00 0.00 C ATOM 1467 C TYR A 102 2.797 -8.864 1.034 1.00 0.00 C ATOM 1468 O TYR A 102 1.781 -9.553 0.931 1.00 0.00 O ATOM 1469 CB TYR A 102 2.626 -7.552 3.211 1.00 0.00 C ATOM 1470 CG TYR A 102 2.465 -7.846 4.696 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.593 -8.050 5.517 1.00 0.00 C ATOM 1472 CD2 TYR A 102 1.175 -7.920 5.261 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.436 -8.325 6.889 1.00 0.00 C ATOM 1474 CE2 TYR A 102 1.009 -8.192 6.632 1.00 0.00 C ATOM 1475 CZ TYR A 102 2.143 -8.395 7.453 1.00 0.00 C ATOM 1476 OH TYR A 102 1.991 -8.663 8.781 1.00 0.00 O ATOM 0 H TYR A 102 5.029 -7.267 2.269 1.00 0.00 H new ATOM 0 HA TYR A 102 3.334 -9.587 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.131 -6.593 3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.636 -7.446 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 102 4.584 -7.995 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.307 -7.767 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.305 -8.483 7.511 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.017 -8.246 7.057 1.00 0.00 H new ATOM 0 HH TYR A 102 1.037 -8.674 9.005 1.00 0.00 H new ATOM 1486 N ILE A 103 3.397 -8.334 -0.039 1.00 0.00 N ATOM 1487 CA ILE A 103 3.008 -8.642 -1.428 1.00 0.00 C ATOM 1488 C ILE A 103 3.927 -9.736 -2.006 1.00 0.00 C ATOM 1489 O ILE A 103 5.153 -9.640 -1.938 1.00 0.00 O ATOM 1490 CB ILE A 103 2.943 -7.351 -2.288 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.226 -7.632 -3.629 1.00 0.00 C ATOM 1492 CG2 ILE A 103 4.316 -6.686 -2.513 1.00 0.00 C ATOM 1493 CD1 ILE A 103 1.829 -6.356 -4.389 1.00 0.00 C ATOM 0 H ILE A 103 4.172 -7.674 0.029 1.00 0.00 H new ATOM 0 HA ILE A 103 1.997 -9.050 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 103 2.361 -6.628 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.878 -8.235 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.332 -8.225 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.191 -5.791 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.750 -6.413 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.979 -7.384 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.331 -6.627 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.152 -5.762 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.722 -5.773 -4.612 1.00 0.00 H new ATOM 1505 N ILE A 104 3.324 -10.793 -2.550 1.00 0.00 N ATOM 1506 CA ILE A 104 3.995 -11.951 -3.173 1.00 0.00 C ATOM 1507 C ILE A 104 3.806 -11.916 -4.699 1.00 0.00 C ATOM 1508 O ILE A 104 2.701 -11.714 -5.196 1.00 0.00 O ATOM 1509 CB ILE A 104 3.451 -13.269 -2.559 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.661 -13.287 -1.022 1.00 0.00 C ATOM 1511 CG2 ILE A 104 4.118 -14.500 -3.208 1.00 0.00 C ATOM 1512 CD1 ILE A 104 3.081 -14.514 -0.307 1.00 0.00 C ATOM 0 H ILE A 104 2.308 -10.876 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 104 5.065 -11.903 -2.972 1.00 0.00 H new ATOM 0 HB ILE A 104 2.381 -13.315 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.730 -13.235 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.210 -12.390 -0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.718 -15.409 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.912 -14.503 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.195 -14.458 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.276 -14.438 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.005 -14.559 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.549 -15.418 -0.698 1.00 0.00 H new ATOM 1524 N SER A 105 4.868 -12.158 -5.463 1.00 0.00 N ATOM 1525 CA SER A 105 4.832 -12.283 -6.922 1.00 0.00 C ATOM 1526 C SER A 105 4.393 -13.703 -7.343 1.00 0.00 C ATOM 1527 O SER A 105 5.098 -14.677 -7.067 1.00 0.00 O ATOM 1528 CB SER A 105 6.221 -11.928 -7.491 1.00 0.00 C ATOM 1529 OG SER A 105 7.288 -12.637 -6.861 1.00 0.00 O ATOM 0 H SER A 105 5.804 -12.276 -5.076 1.00 0.00 H new ATOM 0 HA SER A 105 4.096 -11.590 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.233 -12.142 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.389 -10.857 -7.378 1.00 0.00 H new ATOM 0 HG SER A 105 7.001 -13.554 -6.666 1.00 0.00 H new ATOM 1535 N VAL A 106 3.242 -13.839 -8.020 1.00 0.00 N ATOM 1536 CA VAL A 106 2.679 -15.131 -8.476 1.00 0.00 C ATOM 1537 C VAL A 106 2.432 -15.056 -9.990 1.00 0.00 C ATOM 1538 O VAL A 106 1.295 -15.096 -10.463 1.00 0.00 O ATOM 1539 CB VAL A 106 1.405 -15.526 -7.676 1.00 0.00 C ATOM 1540 CG1 VAL A 106 1.019 -16.991 -7.949 1.00 0.00 C ATOM 1541 CG2 VAL A 106 1.585 -15.365 -6.154 1.00 0.00 C ATOM 0 H VAL A 106 2.660 -13.040 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 106 3.396 -15.928 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 106 0.622 -14.848 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.125 -17.244 -7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.820 -17.123 -9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.838 -17.645 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.665 -15.655 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.402 -16.001 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.815 -14.325 -5.923 1.00 0.00 H new ATOM 1551 N ARG A 107 3.512 -14.869 -10.761 1.00 0.00 N ATOM 1552 CA ARG A 107 3.446 -14.650 -12.215 1.00 0.00 C ATOM 1553 C ARG A 107 2.736 -15.815 -12.927 1.00 0.00 C ATOM 1554 O ARG A 107 3.010 -16.988 -12.664 1.00 0.00 O ATOM 1555 CB ARG A 107 4.843 -14.387 -12.808 1.00 0.00 C ATOM 1556 CG ARG A 107 5.465 -13.093 -12.251 1.00 0.00 C ATOM 1557 CD ARG A 107 6.735 -12.678 -13.006 1.00 0.00 C ATOM 1558 NE ARG A 107 6.428 -12.176 -14.362 1.00 0.00 N ATOM 1559 CZ ARG A 107 7.312 -11.852 -15.302 1.00 0.00 C ATOM 1560 NH1 ARG A 107 8.609 -11.957 -15.108 1.00 0.00 N ATOM 1561 NH2 ARG A 107 6.893 -11.410 -16.468 1.00 0.00 N ATOM 0 H ARG A 107 4.463 -14.865 -10.392 1.00 0.00 H new ATOM 0 HA ARG A 107 2.848 -13.755 -12.386 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.497 -15.230 -12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.770 -14.318 -13.893 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.733 -12.288 -12.309 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.703 -13.233 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 107 7.257 -11.905 -12.442 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.410 -13.531 -13.078 1.00 0.00 H new ATOM 0 HE ARG A 107 5.442 -12.067 -14.600 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.965 -12.296 -14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.258 -11.700 -15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.894 -11.317 -16.649 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.568 -11.161 -17.191 1.00 0.00 H new ATOM 1575 N GLY A 108 1.771 -15.464 -13.783 1.00 0.00 N ATOM 1576 CA GLY A 108 0.753 -16.365 -14.354 1.00 0.00 C ATOM 1577 C GLY A 108 -0.642 -16.145 -13.757 1.00 0.00 C ATOM 1578 O GLY A 108 -1.636 -16.369 -14.444 1.00 0.00 O ATOM 0 H GLY A 108 1.670 -14.504 -14.114 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.708 -16.217 -15.433 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.055 -17.399 -14.187 1.00 0.00 H new ATOM 1582 N ILE A 109 -0.729 -15.644 -12.516 1.00 0.00 N ATOM 1583 CA ILE A 109 -1.985 -15.244 -11.839 1.00 0.00 C ATOM 1584 C ILE A 109 -2.011 -13.726 -11.570 1.00 0.00 C ATOM 1585 O ILE A 109 -3.010 -13.067 -11.864 1.00 0.00 O ATOM 1586 CB ILE A 109 -2.174 -16.068 -10.535 1.00 0.00 C ATOM 1587 CG1 ILE A 109 -2.088 -17.589 -10.823 1.00 0.00 C ATOM 1588 CG2 ILE A 109 -3.523 -15.720 -9.872 1.00 0.00 C ATOM 1589 CD1 ILE A 109 -2.303 -18.498 -9.607 1.00 0.00 C ATOM 0 H ILE A 109 0.095 -15.499 -11.932 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.825 -15.462 -12.498 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.369 -15.808 -9.848 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.830 -17.841 -11.581 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.109 -17.807 -11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.642 -16.305 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.545 -14.658 -9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.337 -15.951 -10.560 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.223 -19.541 -9.914 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.546 -18.282 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -3.293 -18.318 -9.189 1.00 0.00 H new ATOM 1601 N GLY A 110 -0.918 -13.165 -11.036 1.00 0.00 N ATOM 1602 CA GLY A 110 -0.785 -11.750 -10.659 1.00 0.00 C ATOM 1603 C GLY A 110 0.156 -11.551 -9.465 1.00 0.00 C ATOM 1604 O GLY A 110 1.010 -12.395 -9.191 1.00 0.00 O ATOM 0 H GLY A 110 -0.072 -13.702 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.411 -11.183 -11.512 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.768 -11.348 -10.415 1.00 0.00 H new ATOM 1608 N TYR A 111 0.024 -10.442 -8.734 1.00 0.00 N ATOM 1609 CA TYR A 111 0.694 -10.254 -7.431 1.00 0.00 C ATOM 1610 C TYR A 111 -0.326 -10.292 -6.286 1.00 0.00 C ATOM 1611 O TYR A 111 -1.313 -9.567 -6.281 1.00 0.00 O ATOM 1612 CB TYR A 111 1.484 -8.941 -7.375 1.00 0.00 C ATOM 1613 CG TYR A 111 2.885 -8.913 -7.978 1.00 0.00 C ATOM 1614 CD1 TYR A 111 3.228 -9.655 -9.129 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.876 -8.135 -7.346 1.00 0.00 C ATOM 1616 CE1 TYR A 111 4.552 -9.661 -9.609 1.00 0.00 C ATOM 1617 CE2 TYR A 111 5.198 -8.119 -7.830 1.00 0.00 C ATOM 1618 CZ TYR A 111 5.543 -8.893 -8.957 1.00 0.00 C ATOM 1619 OH TYR A 111 6.836 -8.921 -9.387 1.00 0.00 O ATOM 0 H TYR A 111 -0.547 -9.647 -9.021 1.00 0.00 H new ATOM 0 HA TYR A 111 1.399 -11.077 -7.315 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.891 -8.175 -7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.567 -8.647 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.469 -10.223 -9.646 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.618 -7.544 -6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.810 -10.252 -10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.947 -7.515 -7.339 1.00 0.00 H new ATOM 0 HH TYR A 111 7.381 -8.333 -8.824 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.076 -11.142 -5.299 1.00 0.00 N ATOM 1630 CA LYS A 112 -0.999 -11.484 -4.208 1.00 0.00 C ATOM 1631 C LYS A 112 -0.653 -10.728 -2.916 1.00 0.00 C ATOM 1632 O LYS A 112 0.515 -10.647 -2.539 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.974 -13.015 -4.031 1.00 0.00 C ATOM 1634 CG LYS A 112 -2.134 -13.534 -3.161 1.00 0.00 C ATOM 1635 CD LYS A 112 -2.212 -15.071 -3.137 1.00 0.00 C ATOM 1636 CE LYS A 112 -1.053 -15.768 -2.400 1.00 0.00 C ATOM 1637 NZ LYS A 112 -1.167 -15.657 -0.915 1.00 0.00 N ATOM 0 H LYS A 112 0.813 -11.637 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.013 -11.171 -4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.020 -13.490 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.027 -13.308 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.014 -13.164 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.074 -13.132 -3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.151 -15.365 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.241 -15.435 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.030 -16.821 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.108 -15.331 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.363 -16.142 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.162 -14.654 -0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.055 -16.098 -0.601 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.656 -10.189 -2.224 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.508 -9.389 -0.995 1.00 0.00 C ATOM 1653 C LEU A 113 -2.613 -9.752 0.020 1.00 0.00 C ATOM 1654 O LEU A 113 -3.607 -10.386 -0.327 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.505 -7.903 -1.442 1.00 0.00 C ATOM 1656 CG LEU A 113 -1.456 -6.796 -0.368 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.207 -6.886 0.516 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.477 -5.426 -1.059 1.00 0.00 C ATOM 0 H LEU A 113 -2.630 -10.297 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.578 -9.594 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.648 -7.760 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.400 -7.739 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.326 -6.928 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.225 -6.083 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.192 -7.848 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.685 -6.790 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.443 -4.638 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.613 -5.337 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.391 -5.328 -1.645 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.458 -9.337 1.277 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.460 -9.484 2.345 1.00 0.00 C ATOM 1672 C GLU A 114 -3.341 -8.328 3.361 1.00 0.00 C ATOM 1673 O GLU A 114 -2.294 -7.675 3.449 1.00 0.00 O ATOM 1674 CB GLU A 114 -3.289 -10.868 3.006 1.00 0.00 C ATOM 1675 CG GLU A 114 -4.445 -11.270 3.931 1.00 0.00 C ATOM 1676 CD GLU A 114 -4.314 -12.739 4.362 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.546 -13.036 5.308 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -4.982 -13.614 3.759 1.00 0.00 O ATOM 0 H GLU A 114 -1.607 -8.874 1.595 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.465 -9.428 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -3.185 -11.621 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.362 -10.873 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.452 -10.627 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.395 -11.120 3.419 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.430 -8.055 4.091 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.542 -6.992 5.103 1.00 0.00 C ATOM 1687 C TYR A 115 -3.734 -7.264 6.396 1.00 0.00 C ATOM 1688 O TYR A 115 -3.406 -8.434 6.708 1.00 0.00 O ATOM 1689 CB TYR A 115 -6.032 -6.743 5.408 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.777 -7.918 6.023 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.753 -8.113 7.419 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.498 -8.813 5.204 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.430 -9.206 7.995 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.174 -9.911 5.776 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.138 -10.111 7.175 1.00 0.00 C ATOM 1696 OH TYR A 115 -8.787 -11.167 7.741 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.436 -6.282 7.118 1.00 0.00 O ATOM 0 H TYR A 115 -5.293 -8.589 3.990 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.092 -6.093 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.110 -5.891 6.084 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.533 -6.462 4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.213 -7.422 8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.532 -8.657 4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.407 -9.352 9.065 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.719 -10.598 5.146 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.227 -11.694 7.041 1.00 0.00 H new TER 1707 TYR A 115