USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 513 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 139 GLN :FLIP amide:sc= 0 F(o=-2.2,f=-0.84) USER MOD Set 1.2: A 142 GLN :FLIP amide:sc= -0.842 X(o=-0.84,f=-0.84) USER MOD Single : A 88 MET CE :methyl -98:sc= -1.62 (180deg=-2.94!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 123 SER OG : rot 90:sc= 0.866 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.42) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-2.9) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -4.74! C(o=-5.8!,f=-4.7!) USER MOD Single : A 141 GLN : amide:sc= -3.17! C(o=-3.2!,f=-6!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 94:sc= 0.632 USER MOD Single : A 149 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 88 1.846 6.418 17.135 1.00 0.00 N ATOM 2 CA MET A 88 1.451 6.420 15.702 1.00 0.00 C ATOM 3 C MET A 88 1.068 7.821 15.237 1.00 0.00 C ATOM 4 O MET A 88 1.203 8.792 15.982 1.00 0.00 O ATOM 5 CB MET A 88 0.273 5.461 15.521 1.00 0.00 C ATOM 6 CG MET A 88 0.593 4.025 15.904 1.00 0.00 C ATOM 7 SD MET A 88 -0.194 3.523 17.447 1.00 0.00 S ATOM 8 CE MET A 88 -1.784 2.958 16.848 1.00 0.00 C ATOM 0 HA MET A 88 2.297 6.095 15.096 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.565 5.811 16.124 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.050 5.487 14.480 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.270 3.359 15.103 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.673 3.911 15.998 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.522 3.750 16.973 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.704 2.700 15.792 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.095 2.079 17.413 1.00 0.00 H new ATOM 20 N PHE A 89 0.593 7.920 13.999 1.00 0.00 N ATOM 21 CA PHE A 89 0.193 9.204 13.435 1.00 0.00 C ATOM 22 C PHE A 89 -0.965 9.033 12.457 1.00 0.00 C ATOM 23 O PHE A 89 -0.816 8.410 11.405 1.00 0.00 O ATOM 24 CB PHE A 89 1.378 9.866 12.731 1.00 0.00 C ATOM 25 CG PHE A 89 2.126 10.838 13.599 1.00 0.00 C ATOM 26 CD1 PHE A 89 1.582 12.076 13.902 1.00 0.00 C ATOM 27 CD2 PHE A 89 3.371 10.513 14.111 1.00 0.00 C ATOM 28 CE1 PHE A 89 2.267 12.972 14.701 1.00 0.00 C ATOM 29 CE2 PHE A 89 4.061 11.405 14.911 1.00 0.00 C ATOM 30 CZ PHE A 89 3.508 12.636 15.206 1.00 0.00 C ATOM 0 H PHE A 89 0.476 7.127 13.368 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.139 9.844 14.253 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.066 9.092 12.390 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.018 10.386 11.843 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.612 12.344 13.509 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.808 9.552 13.883 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.832 13.934 14.930 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.031 11.140 15.305 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.045 13.335 15.830 1.00 0.00 H new ATOM 40 N ALA A 90 -2.118 9.590 12.810 1.00 0.00 N ATOM 41 CA ALA A 90 -3.302 9.501 11.964 1.00 0.00 C ATOM 42 C ALA A 90 -3.361 10.665 10.981 1.00 0.00 C ATOM 43 O ALA A 90 -2.482 11.527 10.970 1.00 0.00 O ATOM 44 CB ALA A 90 -4.560 9.464 12.818 1.00 0.00 C ATOM 0 H ALA A 90 -2.258 10.108 13.677 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.240 8.577 11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.436 9.398 12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.527 8.596 13.476 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.619 10.372 13.418 1.00 0.00 H new ATOM 50 N MET A 91 -4.404 10.685 10.157 1.00 0.00 N ATOM 51 CA MET A 91 -4.578 11.745 9.171 1.00 0.00 C ATOM 52 C MET A 91 -5.965 11.678 8.539 1.00 0.00 C ATOM 53 O MET A 91 -6.823 10.913 8.979 1.00 0.00 O ATOM 54 CB MET A 91 -3.504 11.641 8.085 1.00 0.00 C ATOM 55 CG MET A 91 -2.993 12.990 7.604 1.00 0.00 C ATOM 56 SD MET A 91 -2.911 13.105 5.806 1.00 0.00 S ATOM 57 CE MET A 91 -1.252 12.501 5.502 1.00 0.00 C ATOM 0 H MET A 91 -5.141 9.980 10.153 1.00 0.00 H new ATOM 0 HA MET A 91 -4.477 12.703 9.682 1.00 0.00 H new ATOM 0 HB2 MET A 91 -2.666 11.060 8.469 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.910 11.092 7.236 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.644 13.777 7.985 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.001 13.167 8.021 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.051 12.512 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.532 13.141 6.013 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.161 11.482 5.878 1.00 0.00 H new ATOM 67 N TYR A 92 -6.175 12.483 7.503 1.00 0.00 N ATOM 68 CA TYR A 92 -7.456 12.517 6.806 1.00 0.00 C ATOM 69 C TYR A 92 -7.287 12.102 5.348 1.00 0.00 C ATOM 70 O TYR A 92 -6.198 12.213 4.787 1.00 0.00 O ATOM 71 CB TYR A 92 -8.067 13.918 6.883 1.00 0.00 C ATOM 72 CG TYR A 92 -7.065 15.031 6.666 1.00 0.00 C ATOM 73 CD1 TYR A 92 -6.283 15.501 7.714 1.00 0.00 C ATOM 74 CD2 TYR A 92 -6.902 15.610 5.414 1.00 0.00 C ATOM 75 CE1 TYR A 92 -5.366 16.517 7.519 1.00 0.00 C ATOM 76 CE2 TYR A 92 -5.988 16.626 5.211 1.00 0.00 C ATOM 77 CZ TYR A 92 -5.223 17.076 6.266 1.00 0.00 C ATOM 78 OH TYR A 92 -4.312 18.088 6.068 1.00 0.00 O ATOM 0 H TYR A 92 -5.474 13.121 7.127 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.128 11.811 7.293 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.857 14.002 6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.535 14.048 7.859 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.393 15.066 8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.500 15.260 4.585 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.765 16.871 8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.873 17.065 4.231 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.335 18.370 5.130 1.00 0.00 H new ATOM 88 N PRO A 93 -8.366 11.612 4.711 1.00 0.00 N ATOM 89 CA PRO A 93 -8.331 11.175 3.316 1.00 0.00 C ATOM 90 C PRO A 93 -8.547 12.320 2.327 1.00 0.00 C ATOM 91 O PRO A 93 -9.166 12.135 1.279 1.00 0.00 O ATOM 92 CB PRO A 93 -9.495 10.192 3.253 1.00 0.00 C ATOM 93 CG PRO A 93 -10.492 10.735 4.222 1.00 0.00 C ATOM 94 CD PRO A 93 -9.706 11.436 5.304 1.00 0.00 C ATOM 0 HA PRO A 93 -7.364 10.755 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.910 10.132 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.180 9.185 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.174 11.427 3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.100 9.934 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.155 12.393 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.664 10.841 6.217 1.00 0.00 H new ATOM 102 N ASP A 94 -8.035 13.501 2.662 1.00 0.00 N ATOM 103 CA ASP A 94 -8.178 14.667 1.796 1.00 0.00 C ATOM 104 C ASP A 94 -6.829 15.107 1.231 1.00 0.00 C ATOM 105 O ASP A 94 -6.678 16.242 0.779 1.00 0.00 O ATOM 106 CB ASP A 94 -8.821 15.822 2.564 1.00 0.00 C ATOM 107 CG ASP A 94 -9.733 16.661 1.690 1.00 0.00 C ATOM 108 OD1 ASP A 94 -10.904 16.266 1.504 1.00 0.00 O ATOM 109 OD2 ASP A 94 -9.277 17.711 1.192 1.00 0.00 O ATOM 0 H ASP A 94 -7.519 13.676 3.524 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.822 14.386 0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.392 15.424 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.039 16.456 2.983 1.00 0.00 H new ATOM 114 N TRP A 95 -5.849 14.207 1.260 1.00 0.00 N ATOM 115 CA TRP A 95 -4.521 14.512 0.751 1.00 0.00 C ATOM 116 C TRP A 95 -4.469 14.363 -0.766 1.00 0.00 C ATOM 117 O TRP A 95 -5.137 13.502 -1.339 1.00 0.00 O ATOM 118 CB TRP A 95 -3.483 13.596 1.401 1.00 0.00 C ATOM 119 CG TRP A 95 -3.890 12.154 1.433 1.00 0.00 C ATOM 120 CD1 TRP A 95 -4.355 11.458 2.512 1.00 0.00 C ATOM 121 CD2 TRP A 95 -3.865 11.230 0.339 1.00 0.00 C ATOM 122 NE1 TRP A 95 -4.622 10.159 2.156 1.00 0.00 N ATOM 123 CE2 TRP A 95 -4.329 9.993 0.827 1.00 0.00 C ATOM 124 CE3 TRP A 95 -3.496 11.328 -1.006 1.00 0.00 C ATOM 125 CZ2 TRP A 95 -4.434 8.865 0.018 1.00 0.00 C ATOM 126 CZ3 TRP A 95 -3.601 10.207 -1.808 1.00 0.00 C ATOM 127 CH2 TRP A 95 -4.067 8.990 -1.294 1.00 0.00 C ATOM 0 H TRP A 95 -5.953 13.262 1.631 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.292 15.548 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.541 13.687 0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.299 13.935 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.493 11.869 3.501 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.980 9.435 2.779 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.136 12.262 -1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.792 7.925 0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.319 10.271 -2.849 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.138 8.133 -1.947 1.00 0.00 H new ATOM 138 N GLN A 96 -3.672 15.209 -1.410 1.00 0.00 N ATOM 139 CA GLN A 96 -3.532 15.174 -2.860 1.00 0.00 C ATOM 140 C GLN A 96 -2.143 14.681 -3.260 1.00 0.00 C ATOM 141 O GLN A 96 -1.169 14.892 -2.537 1.00 0.00 O ATOM 142 CB GLN A 96 -3.782 16.563 -3.451 1.00 0.00 C ATOM 143 CG GLN A 96 -5.166 17.113 -3.145 1.00 0.00 C ATOM 144 CD GLN A 96 -6.041 17.212 -4.380 1.00 0.00 C ATOM 145 OE1 GLN A 96 -6.487 16.201 -4.921 1.00 0.00 O ATOM 146 NE2 GLN A 96 -6.291 18.435 -4.832 1.00 0.00 N ATOM 0 H GLN A 96 -3.113 15.927 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.273 14.480 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.032 17.253 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.648 16.519 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.653 16.472 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.069 18.100 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.900 19.246 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.874 18.564 -5.659 1.00 0.00 H new ATOM 155 N PRO A 97 -2.033 14.016 -4.422 1.00 0.00 N ATOM 156 CA PRO A 97 -0.755 13.494 -4.915 1.00 0.00 C ATOM 157 C PRO A 97 0.195 14.606 -5.349 1.00 0.00 C ATOM 158 O PRO A 97 -0.237 15.642 -5.855 1.00 0.00 O ATOM 159 CB PRO A 97 -1.159 12.636 -6.116 1.00 0.00 C ATOM 160 CG PRO A 97 -2.448 13.220 -6.581 1.00 0.00 C ATOM 161 CD PRO A 97 -3.145 13.722 -5.346 1.00 0.00 C ATOM 0 HA PRO A 97 -0.216 12.943 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.403 12.671 -6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.277 11.590 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.276 14.031 -7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.053 12.472 -7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.740 14.611 -5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.822 12.974 -4.935 1.00 0.00 H new ATOM 169 N ASP A 98 1.490 14.384 -5.148 1.00 0.00 N ATOM 170 CA ASP A 98 2.500 15.369 -5.519 1.00 0.00 C ATOM 171 C ASP A 98 3.866 14.710 -5.687 1.00 0.00 C ATOM 172 O ASP A 98 3.984 13.486 -5.651 1.00 0.00 O ATOM 173 CB ASP A 98 2.579 16.472 -4.463 1.00 0.00 C ATOM 174 CG ASP A 98 2.799 17.842 -5.073 1.00 0.00 C ATOM 175 OD1 ASP A 98 2.289 18.085 -6.187 1.00 0.00 O ATOM 176 OD2 ASP A 98 3.481 18.673 -4.437 1.00 0.00 O ATOM 0 H ASP A 98 1.864 13.532 -4.731 1.00 0.00 H new ATOM 0 HA ASP A 98 2.209 15.810 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.658 16.480 -3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.391 16.251 -3.771 1.00 0.00 H new ATOM 181 N ALA A 99 4.895 15.532 -5.870 1.00 0.00 N ATOM 182 CA ALA A 99 6.252 15.030 -6.044 1.00 0.00 C ATOM 183 C ALA A 99 6.702 14.232 -4.825 1.00 0.00 C ATOM 184 O ALA A 99 7.499 13.300 -4.940 1.00 0.00 O ATOM 185 CB ALA A 99 7.211 16.181 -6.306 1.00 0.00 C ATOM 0 H ALA A 99 4.814 16.548 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 99 6.258 14.363 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.221 15.791 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.908 16.708 -7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.192 16.870 -5.461 1.00 0.00 H new ATOM 191 N ASP A 100 6.187 14.603 -3.657 1.00 0.00 N ATOM 192 CA ASP A 100 6.536 13.921 -2.416 1.00 0.00 C ATOM 193 C ASP A 100 6.167 12.442 -2.484 1.00 0.00 C ATOM 194 O ASP A 100 6.838 11.596 -1.893 1.00 0.00 O ATOM 195 CB ASP A 100 5.830 14.580 -1.230 1.00 0.00 C ATOM 196 CG ASP A 100 6.339 15.983 -0.961 1.00 0.00 C ATOM 197 OD1 ASP A 100 6.133 16.864 -1.822 1.00 0.00 O ATOM 198 OD2 ASP A 100 6.943 16.200 0.111 1.00 0.00 O ATOM 0 H ASP A 100 5.527 15.372 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 100 7.614 14.002 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.758 14.616 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.973 13.968 -0.340 1.00 0.00 H new ATOM 203 N PHE A 101 5.094 12.138 -3.207 1.00 0.00 N ATOM 204 CA PHE A 101 4.635 10.762 -3.352 1.00 0.00 C ATOM 205 C PHE A 101 5.690 9.906 -4.046 1.00 0.00 C ATOM 206 O PHE A 101 6.010 8.807 -3.591 1.00 0.00 O ATOM 207 CB PHE A 101 3.327 10.719 -4.144 1.00 0.00 C ATOM 208 CG PHE A 101 2.405 9.611 -3.722 1.00 0.00 C ATOM 209 CD1 PHE A 101 2.601 8.317 -4.178 1.00 0.00 C ATOM 210 CD2 PHE A 101 1.342 9.863 -2.870 1.00 0.00 C ATOM 211 CE1 PHE A 101 1.755 7.295 -3.792 1.00 0.00 C ATOM 212 CE2 PHE A 101 0.492 8.845 -2.480 1.00 0.00 C ATOM 213 CZ PHE A 101 0.698 7.559 -2.942 1.00 0.00 C ATOM 0 H PHE A 101 4.526 12.826 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 101 4.462 10.357 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.811 11.673 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.557 10.605 -5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.425 8.105 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.176 10.866 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.920 6.291 -4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -0.333 9.055 -1.815 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.035 6.762 -2.639 1.00 0.00 H new ATOM 223 N ILE A 102 6.228 10.417 -5.149 1.00 0.00 N ATOM 224 CA ILE A 102 7.247 9.700 -5.905 1.00 0.00 C ATOM 225 C ILE A 102 8.604 9.786 -5.215 1.00 0.00 C ATOM 226 O ILE A 102 9.373 8.824 -5.213 1.00 0.00 O ATOM 227 CB ILE A 102 7.377 10.251 -7.339 1.00 0.00 C ATOM 228 CG1 ILE A 102 6.002 10.335 -8.005 1.00 0.00 C ATOM 229 CG2 ILE A 102 8.316 9.380 -8.160 1.00 0.00 C ATOM 230 CD1 ILE A 102 5.904 11.424 -9.052 1.00 0.00 C ATOM 0 H ILE A 102 5.975 11.325 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 102 6.931 8.658 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 102 7.797 11.256 -7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.772 9.375 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.246 10.509 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.397 9.783 -9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.301 9.368 -7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.924 8.364 -8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.903 11.426 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.102 12.391 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.636 11.240 -9.838 1.00 0.00 H new ATOM 242 N ARG A 103 8.893 10.944 -4.631 1.00 0.00 N ATOM 243 CA ARG A 103 10.157 11.156 -3.938 1.00 0.00 C ATOM 244 C ARG A 103 10.297 10.201 -2.757 1.00 0.00 C ATOM 245 O ARG A 103 11.301 9.500 -2.628 1.00 0.00 O ATOM 246 CB ARG A 103 10.256 12.606 -3.457 1.00 0.00 C ATOM 247 CG ARG A 103 11.343 13.405 -4.159 1.00 0.00 C ATOM 248 CD ARG A 103 12.320 14.015 -3.167 1.00 0.00 C ATOM 249 NE ARG A 103 13.409 13.099 -2.837 1.00 0.00 N ATOM 250 CZ ARG A 103 14.558 13.481 -2.286 1.00 0.00 C ATOM 251 NH1 ARG A 103 14.773 14.760 -2.002 1.00 0.00 N ATOM 252 NH2 ARG A 103 15.496 12.583 -2.017 1.00 0.00 N ATOM 0 H ARG A 103 8.268 11.750 -4.624 1.00 0.00 H new ATOM 0 HA ARG A 103 10.969 10.956 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.296 13.098 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.447 12.612 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.882 12.757 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.887 14.196 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.733 14.934 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.788 14.289 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 103 13.281 12.108 -3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.055 15.455 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.656 15.047 -1.580 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.337 11.599 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.377 12.876 -1.595 1.00 0.00 H new ATOM 266 N LEU A 104 9.283 10.177 -1.898 1.00 0.00 N ATOM 267 CA LEU A 104 9.293 9.308 -0.728 1.00 0.00 C ATOM 268 C LEU A 104 9.248 7.840 -1.140 1.00 0.00 C ATOM 269 O LEU A 104 9.980 7.011 -0.600 1.00 0.00 O ATOM 270 CB LEU A 104 8.108 9.631 0.183 1.00 0.00 C ATOM 271 CG LEU A 104 8.346 10.769 1.178 1.00 0.00 C ATOM 272 CD1 LEU A 104 7.052 11.142 1.882 1.00 0.00 C ATOM 273 CD2 LEU A 104 9.412 10.376 2.189 1.00 0.00 C ATOM 0 H LEU A 104 8.444 10.750 -1.991 1.00 0.00 H new ATOM 0 HA LEU A 104 10.220 9.485 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.250 9.887 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.842 8.732 0.739 1.00 0.00 H new ATOM 0 HG LEU A 104 8.699 11.641 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.241 11.953 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.317 11.465 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.668 10.276 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.569 11.196 2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.087 9.490 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.345 10.159 1.669 1.00 0.00 H new ATOM 285 N ALA A 105 8.383 7.526 -2.099 1.00 0.00 N ATOM 286 CA ALA A 105 8.242 6.159 -2.583 1.00 0.00 C ATOM 287 C ALA A 105 9.556 5.644 -3.162 1.00 0.00 C ATOM 288 O ALA A 105 9.949 4.503 -2.917 1.00 0.00 O ATOM 289 CB ALA A 105 7.137 6.080 -3.625 1.00 0.00 C ATOM 0 H ALA A 105 7.769 8.201 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 105 7.975 5.525 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.043 5.053 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.194 6.399 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.381 6.731 -4.464 1.00 0.00 H new ATOM 295 N ALA A 106 10.231 6.493 -3.930 1.00 0.00 N ATOM 296 CA ALA A 106 11.500 6.124 -4.543 1.00 0.00 C ATOM 297 C ALA A 106 12.558 5.835 -3.483 1.00 0.00 C ATOM 298 O ALA A 106 13.393 4.946 -3.651 1.00 0.00 O ATOM 299 CB ALA A 106 11.974 7.227 -5.477 1.00 0.00 C ATOM 0 H ALA A 106 9.920 7.441 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 106 11.345 5.214 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.923 6.939 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 106 11.233 7.384 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 106 12.106 8.150 -4.912 1.00 0.00 H new ATOM 305 N LEU A 107 12.515 6.591 -2.391 1.00 0.00 N ATOM 306 CA LEU A 107 13.467 6.416 -1.303 1.00 0.00 C ATOM 307 C LEU A 107 13.045 5.263 -0.396 1.00 0.00 C ATOM 308 O LEU A 107 13.886 4.585 0.195 1.00 0.00 O ATOM 309 CB LEU A 107 13.584 7.714 -0.496 1.00 0.00 C ATOM 310 CG LEU A 107 14.237 7.573 0.880 1.00 0.00 C ATOM 311 CD1 LEU A 107 15.641 7.002 0.749 1.00 0.00 C ATOM 312 CD2 LEU A 107 14.269 8.916 1.595 1.00 0.00 C ATOM 0 H LEU A 107 11.830 7.331 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 107 14.441 6.175 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.157 8.435 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.586 8.132 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 107 13.641 6.882 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.090 6.909 1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 107 15.592 6.020 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 107 16.249 7.668 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 107 14.737 8.797 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 107 14.842 9.630 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.251 9.285 1.723 1.00 0.00 H new ATOM 324 N TRP A 108 11.737 5.047 -0.290 1.00 0.00 N ATOM 325 CA TRP A 108 11.205 3.977 0.546 1.00 0.00 C ATOM 326 C TRP A 108 11.462 2.605 -0.077 1.00 0.00 C ATOM 327 O TRP A 108 11.312 1.578 0.586 1.00 0.00 O ATOM 328 CB TRP A 108 9.704 4.176 0.768 1.00 0.00 C ATOM 329 CG TRP A 108 9.379 5.374 1.609 1.00 0.00 C ATOM 330 CD1 TRP A 108 10.242 6.087 2.392 1.00 0.00 C ATOM 331 CD2 TRP A 108 8.098 6.000 1.752 1.00 0.00 C ATOM 332 NE1 TRP A 108 9.576 7.116 3.012 1.00 0.00 N ATOM 333 CE2 TRP A 108 8.259 7.084 2.635 1.00 0.00 C ATOM 334 CE3 TRP A 108 6.831 5.749 1.218 1.00 0.00 C ATOM 335 CZ2 TRP A 108 7.201 7.915 2.996 1.00 0.00 C ATOM 336 CZ3 TRP A 108 5.781 6.574 1.577 1.00 0.00 C ATOM 337 CH2 TRP A 108 5.972 7.646 2.458 1.00 0.00 C ATOM 0 H TRP A 108 11.027 5.598 -0.772 1.00 0.00 H new ATOM 0 HA TRP A 108 11.720 4.016 1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.212 4.276 -0.199 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.294 3.285 1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.294 5.873 2.507 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.994 7.794 3.649 1.00 0.00 H new ATOM 0 HE3 TRP A 108 6.675 4.925 0.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.345 8.742 3.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.797 6.389 1.171 1.00 0.00 H new ATOM 0 HH2 TRP A 108 5.132 8.273 2.718 1.00 0.00 H new ATOM 348 N GLY A 109 11.851 2.592 -1.349 1.00 0.00 N ATOM 349 CA GLY A 109 12.122 1.337 -2.026 1.00 0.00 C ATOM 350 C GLY A 109 11.050 0.974 -3.036 1.00 0.00 C ATOM 351 O GLY A 109 10.702 -0.197 -3.186 1.00 0.00 O ATOM 0 H GLY A 109 11.983 3.426 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.085 1.402 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.204 0.540 -1.287 1.00 0.00 H new ATOM 355 N VAL A 110 10.528 1.979 -3.731 1.00 0.00 N ATOM 356 CA VAL A 110 9.491 1.758 -4.732 1.00 0.00 C ATOM 357 C VAL A 110 9.715 2.636 -5.958 1.00 0.00 C ATOM 358 O VAL A 110 9.716 3.863 -5.863 1.00 0.00 O ATOM 359 CB VAL A 110 8.087 2.038 -4.162 1.00 0.00 C ATOM 360 CG1 VAL A 110 7.014 1.638 -5.163 1.00 0.00 C ATOM 361 CG2 VAL A 110 7.892 1.311 -2.839 1.00 0.00 C ATOM 0 H VAL A 110 10.806 2.954 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 110 9.552 0.709 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 110 7.997 3.109 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.030 1.843 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.142 2.210 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.100 0.574 -5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.895 1.521 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.003 0.238 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.639 1.653 -2.122 1.00 0.00 H new ATOM 371 N ALA A 111 9.905 1.999 -7.109 1.00 0.00 N ATOM 372 CA ALA A 111 10.129 2.722 -8.355 1.00 0.00 C ATOM 373 C ALA A 111 8.845 2.821 -9.171 1.00 0.00 C ATOM 374 O ALA A 111 8.426 1.855 -9.808 1.00 0.00 O ATOM 375 CB ALA A 111 11.223 2.045 -9.167 1.00 0.00 C ATOM 0 H ALA A 111 9.908 0.983 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 111 10.449 3.734 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.380 2.595 -10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.148 2.032 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 111 10.925 1.022 -9.397 1.00 0.00 H new ATOM 381 N LEU A 112 8.224 3.996 -9.146 1.00 0.00 N ATOM 382 CA LEU A 112 6.986 4.222 -9.884 1.00 0.00 C ATOM 383 C LEU A 112 7.278 4.646 -11.319 1.00 0.00 C ATOM 384 O LEU A 112 7.894 5.685 -11.557 1.00 0.00 O ATOM 385 CB LEU A 112 6.140 5.288 -9.185 1.00 0.00 C ATOM 386 CG LEU A 112 5.941 5.075 -7.684 1.00 0.00 C ATOM 387 CD1 LEU A 112 5.711 6.405 -6.983 1.00 0.00 C ATOM 388 CD2 LEU A 112 4.778 4.128 -7.431 1.00 0.00 C ATOM 0 H LEU A 112 8.557 4.806 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 112 6.429 3.285 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.608 6.260 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.162 5.325 -9.664 1.00 0.00 H new ATOM 0 HG LEU A 112 6.846 4.625 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.571 6.234 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.575 7.052 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.822 6.884 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.650 3.987 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.866 4.551 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.983 3.166 -7.901 1.00 0.00 H new ATOM 400 N ARG A 113 6.830 3.836 -12.273 1.00 0.00 N ATOM 401 CA ARG A 113 7.043 4.128 -13.686 1.00 0.00 C ATOM 402 C ARG A 113 5.808 4.783 -14.298 1.00 0.00 C ATOM 403 O ARG A 113 5.875 5.900 -14.810 1.00 0.00 O ATOM 404 CB ARG A 113 7.385 2.847 -14.448 1.00 0.00 C ATOM 405 CG ARG A 113 8.666 2.180 -13.974 1.00 0.00 C ATOM 406 CD ARG A 113 9.886 3.028 -14.296 1.00 0.00 C ATOM 407 NE ARG A 113 9.878 3.494 -15.680 1.00 0.00 N ATOM 408 CZ ARG A 113 10.114 2.709 -16.729 1.00 0.00 C ATOM 409 NH1 ARG A 113 10.376 1.419 -16.555 1.00 0.00 N ATOM 410 NH2 ARG A 113 10.087 3.214 -17.954 1.00 0.00 N ATOM 0 H ARG A 113 6.317 2.973 -12.093 1.00 0.00 H new ATOM 0 HA ARG A 113 7.879 4.823 -13.765 1.00 0.00 H new ATOM 0 HB2 ARG A 113 6.559 2.143 -14.346 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.477 3.079 -15.509 1.00 0.00 H new ATOM 0 HG2 ARG A 113 8.613 2.010 -12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 113 8.765 1.203 -14.447 1.00 0.00 H new ATOM 0 HD2 ARG A 113 9.919 3.886 -13.625 1.00 0.00 H new ATOM 0 HD3 ARG A 113 10.790 2.447 -14.114 1.00 0.00 H new ATOM 0 HE ARG A 113 9.680 4.479 -15.853 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.397 1.025 -15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 113 10.556 0.822 -17.362 1.00 0.00 H new ATOM 0 HH21 ARG A 113 9.885 4.204 -18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.268 2.613 -18.758 1.00 0.00 H new ATOM 424 N GLU A 114 4.682 4.079 -14.241 1.00 0.00 N ATOM 425 CA GLU A 114 3.431 4.591 -14.790 1.00 0.00 C ATOM 426 C GLU A 114 2.649 5.365 -13.732 1.00 0.00 C ATOM 427 O GLU A 114 2.742 5.072 -12.540 1.00 0.00 O ATOM 428 CB GLU A 114 2.579 3.442 -15.332 1.00 0.00 C ATOM 429 CG GLU A 114 3.068 2.898 -16.664 1.00 0.00 C ATOM 430 CD GLU A 114 2.557 3.701 -17.845 1.00 0.00 C ATOM 431 OE1 GLU A 114 2.982 4.865 -17.999 1.00 0.00 O ATOM 432 OE2 GLU A 114 1.732 3.165 -18.615 1.00 0.00 O ATOM 0 H GLU A 114 4.610 3.153 -13.820 1.00 0.00 H new ATOM 0 HA GLU A 114 3.673 5.271 -15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.567 2.633 -14.601 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.551 3.785 -15.445 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.158 2.898 -16.674 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.748 1.861 -16.768 1.00 0.00 H new ATOM 439 N PRO A 115 1.862 6.370 -14.156 1.00 0.00 N ATOM 440 CA PRO A 115 1.061 7.187 -13.239 1.00 0.00 C ATOM 441 C PRO A 115 0.193 6.340 -12.315 1.00 0.00 C ATOM 442 O PRO A 115 -0.088 5.177 -12.605 1.00 0.00 O ATOM 443 CB PRO A 115 0.187 8.022 -14.178 1.00 0.00 C ATOM 444 CG PRO A 115 0.956 8.092 -15.451 1.00 0.00 C ATOM 445 CD PRO A 115 1.694 6.786 -15.561 1.00 0.00 C ATOM 0 HA PRO A 115 1.685 7.783 -12.574 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -0.787 7.557 -14.329 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.006 9.016 -13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 115 0.290 8.237 -16.302 1.00 0.00 H new ATOM 0 HG3 PRO A 115 1.650 8.933 -15.442 1.00 0.00 H new ATOM 0 HD2 PRO A 115 1.127 6.051 -16.133 1.00 0.00 H new ATOM 0 HD3 PRO A 115 2.654 6.908 -16.062 1.00 0.00 H new ATOM 453 N VAL A 116 -0.230 6.930 -11.202 1.00 0.00 N ATOM 454 CA VAL A 116 -1.067 6.230 -10.236 1.00 0.00 C ATOM 455 C VAL A 116 -2.498 6.095 -10.746 1.00 0.00 C ATOM 456 O VAL A 116 -3.038 7.016 -11.360 1.00 0.00 O ATOM 457 CB VAL A 116 -1.084 6.955 -8.876 1.00 0.00 C ATOM 458 CG1 VAL A 116 -1.832 6.130 -7.839 1.00 0.00 C ATOM 459 CG2 VAL A 116 0.333 7.252 -8.409 1.00 0.00 C ATOM 0 H VAL A 116 -0.006 7.892 -10.947 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.636 5.238 -10.104 1.00 0.00 H new ATOM 0 HB VAL A 116 -1.607 7.903 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.833 6.658 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.859 5.975 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.340 5.165 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.299 7.764 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.885 6.318 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.832 7.887 -9.141 1.00 0.00 H new ATOM 469 N THR A 117 -3.107 4.942 -10.489 1.00 0.00 N ATOM 470 CA THR A 117 -4.476 4.688 -10.923 1.00 0.00 C ATOM 471 C THR A 117 -5.473 5.089 -9.841 1.00 0.00 C ATOM 472 O THR A 117 -5.126 5.170 -8.662 1.00 0.00 O ATOM 473 CB THR A 117 -4.654 3.210 -11.275 1.00 0.00 C ATOM 474 OG1 THR A 117 -4.384 2.390 -10.152 1.00 0.00 O ATOM 475 CG2 THR A 117 -3.758 2.752 -12.405 1.00 0.00 C ATOM 0 H THR A 117 -2.675 4.169 -9.983 1.00 0.00 H new ATOM 0 HA THR A 117 -4.668 5.292 -11.810 1.00 0.00 H new ATOM 0 HB THR A 117 -5.692 3.112 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.505 1.449 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.935 1.695 -12.604 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.978 3.332 -13.302 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.715 2.899 -12.125 1.00 0.00 H new ATOM 483 N THR A 118 -6.713 5.339 -10.249 1.00 0.00 N ATOM 484 CA THR A 118 -7.760 5.733 -9.313 1.00 0.00 C ATOM 485 C THR A 118 -8.163 4.562 -8.423 1.00 0.00 C ATOM 486 O THR A 118 -8.367 4.726 -7.220 1.00 0.00 O ATOM 487 CB THR A 118 -8.981 6.255 -10.073 1.00 0.00 C ATOM 488 OG1 THR A 118 -9.233 5.466 -11.221 1.00 0.00 O ATOM 489 CG2 THR A 118 -8.833 7.692 -10.526 1.00 0.00 C ATOM 0 H THR A 118 -7.017 5.276 -11.221 1.00 0.00 H new ATOM 0 HA THR A 118 -7.367 6.528 -8.680 1.00 0.00 H new ATOM 0 HB THR A 118 -9.808 6.197 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.018 5.815 -11.692 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.733 8.000 -11.058 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.687 8.334 -9.657 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.972 7.778 -11.189 1.00 0.00 H new ATOM 497 N GLU A 119 -8.277 3.381 -9.022 1.00 0.00 N ATOM 498 CA GLU A 119 -8.656 2.182 -8.282 1.00 0.00 C ATOM 499 C GLU A 119 -7.653 1.889 -7.170 1.00 0.00 C ATOM 500 O GLU A 119 -8.026 1.444 -6.085 1.00 0.00 O ATOM 501 CB GLU A 119 -8.754 0.983 -9.226 1.00 0.00 C ATOM 502 CG GLU A 119 -7.598 0.884 -10.209 1.00 0.00 C ATOM 503 CD GLU A 119 -8.038 1.072 -11.649 1.00 0.00 C ATOM 504 OE1 GLU A 119 -8.375 2.215 -12.022 1.00 0.00 O ATOM 505 OE2 GLU A 119 -8.045 0.075 -12.402 1.00 0.00 O ATOM 0 H GLU A 119 -8.113 3.228 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.632 2.359 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.796 0.068 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.689 1.046 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.849 1.636 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.119 -0.089 -10.104 1.00 0.00 H new ATOM 512 N GLU A 120 -6.378 2.143 -7.448 1.00 0.00 N ATOM 513 CA GLU A 120 -5.321 1.907 -6.471 1.00 0.00 C ATOM 514 C GLU A 120 -5.384 2.933 -5.344 1.00 0.00 C ATOM 515 O GLU A 120 -5.374 2.577 -4.165 1.00 0.00 O ATOM 516 CB GLU A 120 -3.951 1.960 -7.148 1.00 0.00 C ATOM 517 CG GLU A 120 -2.827 1.401 -6.290 1.00 0.00 C ATOM 518 CD GLU A 120 -2.322 0.061 -6.790 1.00 0.00 C ATOM 519 OE1 GLU A 120 -3.063 -0.936 -6.667 1.00 0.00 O ATOM 520 OE2 GLU A 120 -1.185 0.010 -7.305 1.00 0.00 O ATOM 0 H GLU A 120 -6.052 2.512 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.469 0.915 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.995 1.402 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.721 2.994 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.001 2.112 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.178 1.293 -5.264 1.00 0.00 H new ATOM 527 N LEU A 121 -5.449 4.207 -5.714 1.00 0.00 N ATOM 528 CA LEU A 121 -5.514 5.286 -4.735 1.00 0.00 C ATOM 529 C LEU A 121 -6.766 5.163 -3.871 1.00 0.00 C ATOM 530 O LEU A 121 -6.694 5.227 -2.644 1.00 0.00 O ATOM 531 CB LEU A 121 -5.494 6.645 -5.441 1.00 0.00 C ATOM 532 CG LEU A 121 -4.485 7.649 -4.882 1.00 0.00 C ATOM 533 CD1 LEU A 121 -3.070 7.102 -4.996 1.00 0.00 C ATOM 534 CD2 LEU A 121 -4.603 8.981 -5.607 1.00 0.00 C ATOM 0 H LEU A 121 -5.458 4.518 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.641 5.209 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.278 6.486 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -6.490 7.083 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.707 7.811 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.365 7.830 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.993 6.172 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.837 6.912 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.878 9.684 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.407 8.836 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.609 9.379 -5.475 1.00 0.00 H new ATOM 546 N ALA A 122 -7.912 4.985 -4.520 1.00 0.00 N ATOM 547 CA ALA A 122 -9.178 4.853 -3.811 1.00 0.00 C ATOM 548 C ALA A 122 -9.159 3.651 -2.873 1.00 0.00 C ATOM 549 O ALA A 122 -9.705 3.702 -1.771 1.00 0.00 O ATOM 550 CB ALA A 122 -10.327 4.734 -4.801 1.00 0.00 C ATOM 0 H ALA A 122 -7.989 4.929 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.324 5.749 -3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.267 4.636 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.361 5.625 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.177 3.855 -5.428 1.00 0.00 H new ATOM 556 N SER A 123 -8.528 2.569 -3.318 1.00 0.00 N ATOM 557 CA SER A 123 -8.437 1.354 -2.518 1.00 0.00 C ATOM 558 C SER A 123 -7.727 1.623 -1.195 1.00 0.00 C ATOM 559 O SER A 123 -8.205 1.230 -0.131 1.00 0.00 O ATOM 560 CB SER A 123 -7.698 0.262 -3.294 1.00 0.00 C ATOM 561 OG SER A 123 -8.581 -0.442 -4.150 1.00 0.00 O ATOM 0 H SER A 123 -8.072 2.509 -4.229 1.00 0.00 H new ATOM 0 HA SER A 123 -9.450 1.015 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 123 -6.896 0.709 -3.882 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.232 -0.433 -2.595 1.00 0.00 H new ATOM 0 HG SER A 123 -8.612 0.001 -5.024 1.00 0.00 H new ATOM 567 N PHE A 124 -6.583 2.296 -1.270 1.00 0.00 N ATOM 568 CA PHE A 124 -5.807 2.617 -0.078 1.00 0.00 C ATOM 569 C PHE A 124 -6.616 3.483 0.883 1.00 0.00 C ATOM 570 O PHE A 124 -6.595 3.268 2.095 1.00 0.00 O ATOM 571 CB PHE A 124 -4.513 3.337 -0.464 1.00 0.00 C ATOM 572 CG PHE A 124 -3.409 3.166 0.540 1.00 0.00 C ATOM 573 CD1 PHE A 124 -2.903 1.908 0.824 1.00 0.00 C ATOM 574 CD2 PHE A 124 -2.878 4.263 1.200 1.00 0.00 C ATOM 575 CE1 PHE A 124 -1.887 1.746 1.747 1.00 0.00 C ATOM 576 CE2 PHE A 124 -1.862 4.107 2.124 1.00 0.00 C ATOM 577 CZ PHE A 124 -1.366 2.848 2.398 1.00 0.00 C ATOM 0 H PHE A 124 -6.173 2.629 -2.143 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.559 1.682 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.174 2.965 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.721 4.400 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.307 1.044 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -3.262 5.250 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -1.501 0.760 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -1.456 4.970 2.632 1.00 0.00 H new ATOM 0 HZ PHE A 124 -0.572 2.725 3.120 1.00 0.00 H new ATOM 587 N ILE A 125 -7.329 4.461 0.334 1.00 0.00 N ATOM 588 CA ILE A 125 -8.145 5.358 1.143 1.00 0.00 C ATOM 589 C ILE A 125 -9.367 4.634 1.701 1.00 0.00 C ATOM 590 O ILE A 125 -9.853 4.960 2.783 1.00 0.00 O ATOM 591 CB ILE A 125 -8.612 6.581 0.330 1.00 0.00 C ATOM 592 CG1 ILE A 125 -7.419 7.253 -0.353 1.00 0.00 C ATOM 593 CG2 ILE A 125 -9.340 7.571 1.228 1.00 0.00 C ATOM 594 CD1 ILE A 125 -7.815 8.224 -1.444 1.00 0.00 C ATOM 0 H ILE A 125 -7.358 4.652 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.519 5.699 1.968 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.305 6.242 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.832 7.782 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.774 6.484 -0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -9.663 8.429 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.210 7.088 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.669 7.907 2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.919 8.662 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.376 7.696 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.435 9.014 -1.020 1.00 0.00 H new ATOM 606 N ALA A 126 -9.857 3.649 0.954 1.00 0.00 N ATOM 607 CA ALA A 126 -11.021 2.879 1.375 1.00 0.00 C ATOM 608 C ALA A 126 -10.735 2.108 2.659 1.00 0.00 C ATOM 609 O ALA A 126 -11.523 2.141 3.604 1.00 0.00 O ATOM 610 CB ALA A 126 -11.450 1.926 0.270 1.00 0.00 C ATOM 0 H ALA A 126 -9.466 3.366 0.055 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.834 3.577 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -12.320 1.357 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.704 2.496 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.633 1.241 0.043 1.00 0.00 H new ATOM 616 N TYR A 127 -9.601 1.415 2.687 1.00 0.00 N ATOM 617 CA TYR A 127 -9.210 0.635 3.855 1.00 0.00 C ATOM 618 C TYR A 127 -8.667 1.541 4.956 1.00 0.00 C ATOM 619 O TYR A 127 -8.818 1.250 6.143 1.00 0.00 O ATOM 620 CB TYR A 127 -8.158 -0.406 3.470 1.00 0.00 C ATOM 621 CG TYR A 127 -8.270 -1.697 4.248 1.00 0.00 C ATOM 622 CD1 TYR A 127 -7.850 -1.773 5.570 1.00 0.00 C ATOM 623 CD2 TYR A 127 -8.796 -2.841 3.659 1.00 0.00 C ATOM 624 CE1 TYR A 127 -7.951 -2.952 6.283 1.00 0.00 C ATOM 625 CE2 TYR A 127 -8.901 -4.023 4.367 1.00 0.00 C ATOM 626 CZ TYR A 127 -8.477 -4.074 5.678 1.00 0.00 C ATOM 627 OH TYR A 127 -8.580 -5.249 6.385 1.00 0.00 O ATOM 0 H TYR A 127 -8.937 1.378 1.914 1.00 0.00 H new ATOM 0 HA TYR A 127 -10.095 0.124 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -8.248 -0.624 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.166 0.018 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -7.438 -0.897 6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -9.128 -2.805 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -7.619 -2.995 7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -9.313 -4.903 3.896 1.00 0.00 H new ATOM 0 HH TYR A 127 -8.972 -5.942 5.813 1.00 0.00 H new ATOM 637 N TRP A 128 -8.036 2.639 4.554 1.00 0.00 N ATOM 638 CA TRP A 128 -7.471 3.588 5.506 1.00 0.00 C ATOM 639 C TRP A 128 -8.568 4.210 6.367 1.00 0.00 C ATOM 640 O TRP A 128 -8.443 4.289 7.589 1.00 0.00 O ATOM 641 CB TRP A 128 -6.693 4.680 4.762 1.00 0.00 C ATOM 642 CG TRP A 128 -6.276 5.832 5.630 1.00 0.00 C ATOM 643 CD1 TRP A 128 -6.274 7.153 5.286 1.00 0.00 C ATOM 644 CD2 TRP A 128 -5.799 5.768 6.980 1.00 0.00 C ATOM 645 NE1 TRP A 128 -5.826 7.915 6.338 1.00 0.00 N ATOM 646 CE2 TRP A 128 -5.529 7.088 7.389 1.00 0.00 C ATOM 647 CE3 TRP A 128 -5.576 4.724 7.884 1.00 0.00 C ATOM 648 CZ2 TRP A 128 -5.047 7.390 8.661 1.00 0.00 C ATOM 649 CZ3 TRP A 128 -5.097 5.026 9.145 1.00 0.00 C ATOM 650 CH2 TRP A 128 -4.838 6.349 9.523 1.00 0.00 C ATOM 0 H TRP A 128 -7.903 2.894 3.575 1.00 0.00 H new ATOM 0 HA TRP A 128 -6.786 3.052 6.163 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -5.804 4.237 4.313 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -7.308 5.058 3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -6.580 7.543 4.326 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -5.730 8.930 6.337 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -5.774 3.701 7.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.846 8.409 8.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -4.920 4.228 9.851 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -4.465 6.552 10.516 1.00 0.00 H new ATOM 661 N GLN A 129 -9.644 4.650 5.721 1.00 0.00 N ATOM 662 CA GLN A 129 -10.762 5.263 6.428 1.00 0.00 C ATOM 663 C GLN A 129 -11.627 4.202 7.101 1.00 0.00 C ATOM 664 O GLN A 129 -12.162 4.421 8.187 1.00 0.00 O ATOM 665 CB GLN A 129 -11.609 6.094 5.462 1.00 0.00 C ATOM 666 CG GLN A 129 -11.230 7.565 5.432 1.00 0.00 C ATOM 667 CD GLN A 129 -11.397 8.238 6.781 1.00 0.00 C ATOM 668 OE1 GLN A 129 -12.515 8.403 7.271 1.00 0.00 O ATOM 669 NE2 GLN A 129 -10.284 8.631 7.389 1.00 0.00 N ATOM 0 H GLN A 129 -9.765 4.593 4.710 1.00 0.00 H new ATOM 0 HA GLN A 129 -10.358 5.918 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -11.510 5.681 4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -12.659 6.003 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -10.194 7.663 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -11.846 8.080 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.378 8.474 6.946 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.334 9.090 8.299 1.00 0.00 H new ATOM 678 N ALA A 130 -11.758 3.052 6.448 1.00 0.00 N ATOM 679 CA ALA A 130 -12.557 1.957 6.984 1.00 0.00 C ATOM 680 C ALA A 130 -11.911 1.366 8.233 1.00 0.00 C ATOM 681 O ALA A 130 -12.601 0.878 9.128 1.00 0.00 O ATOM 682 CB ALA A 130 -12.749 0.879 5.927 1.00 0.00 C ATOM 0 H ALA A 130 -11.321 2.855 5.548 1.00 0.00 H new ATOM 0 HA ALA A 130 -13.532 2.354 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -13.347 0.067 6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -13.260 1.304 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -11.777 0.493 5.620 1.00 0.00 H new ATOM 688 N GLU A 131 -10.584 1.415 8.287 1.00 0.00 N ATOM 689 CA GLU A 131 -9.845 0.884 9.426 1.00 0.00 C ATOM 690 C GLU A 131 -10.041 1.760 10.659 1.00 0.00 C ATOM 691 O GLU A 131 -10.219 1.257 11.768 1.00 0.00 O ATOM 692 CB GLU A 131 -8.355 0.781 9.092 1.00 0.00 C ATOM 693 CG GLU A 131 -7.961 -0.553 8.479 1.00 0.00 C ATOM 694 CD GLU A 131 -7.787 -1.643 9.518 1.00 0.00 C ATOM 695 OE1 GLU A 131 -6.889 -1.508 10.377 1.00 0.00 O ATOM 696 OE2 GLU A 131 -8.548 -2.632 9.474 1.00 0.00 O ATOM 0 H GLU A 131 -9.999 1.817 7.555 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.231 -0.112 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.090 1.582 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.775 0.939 10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.723 -0.858 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -7.030 -0.433 7.924 1.00 0.00 H new ATOM 703 N GLY A 132 -10.005 3.074 10.458 1.00 0.00 N ATOM 704 CA GLY A 132 -10.179 3.998 11.563 1.00 0.00 C ATOM 705 C GLY A 132 -9.130 3.812 12.643 1.00 0.00 C ATOM 706 O GLY A 132 -9.416 3.970 13.830 1.00 0.00 O ATOM 0 H GLY A 132 -9.858 3.515 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -10.134 5.021 11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -11.170 3.861 11.995 1.00 0.00 H new ATOM 710 N LYS A 133 -7.913 3.475 12.229 1.00 0.00 N ATOM 711 CA LYS A 133 -6.816 3.265 13.166 1.00 0.00 C ATOM 712 C LYS A 133 -5.718 4.305 12.955 1.00 0.00 C ATOM 713 O LYS A 133 -5.931 5.321 12.295 1.00 0.00 O ATOM 714 CB LYS A 133 -6.246 1.853 13.002 1.00 0.00 C ATOM 715 CG LYS A 133 -6.342 1.008 14.262 1.00 0.00 C ATOM 716 CD LYS A 133 -6.832 -0.400 13.956 1.00 0.00 C ATOM 717 CE LYS A 133 -6.040 -1.448 14.722 1.00 0.00 C ATOM 718 NZ LYS A 133 -5.638 -2.587 13.851 1.00 0.00 N ATOM 0 H LYS A 133 -7.662 3.341 11.250 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.203 3.375 14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -6.776 1.348 12.194 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.201 1.925 12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -5.365 0.957 14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.021 1.484 14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -7.888 -0.482 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -6.748 -0.590 12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -5.150 -0.988 15.152 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -6.639 -1.820 15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -5.100 -3.279 14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -6.488 -3.042 13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -5.045 -2.236 13.072 1.00 0.00 H new ATOM 732 N VAL A 134 -4.545 4.041 13.520 1.00 0.00 N ATOM 733 CA VAL A 134 -3.414 4.951 13.393 1.00 0.00 C ATOM 734 C VAL A 134 -2.130 4.186 13.092 1.00 0.00 C ATOM 735 O VAL A 134 -1.908 3.095 13.619 1.00 0.00 O ATOM 736 CB VAL A 134 -3.212 5.787 14.672 1.00 0.00 C ATOM 737 CG1 VAL A 134 -2.296 6.970 14.398 1.00 0.00 C ATOM 738 CG2 VAL A 134 -4.550 6.259 15.224 1.00 0.00 C ATOM 0 H VAL A 134 -4.353 3.204 14.070 1.00 0.00 H new ATOM 0 HA VAL A 134 -3.641 5.623 12.565 1.00 0.00 H new ATOM 0 HB VAL A 134 -2.739 5.154 15.423 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -2.165 7.548 15.313 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -1.326 6.608 14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -2.739 7.603 13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -4.384 6.847 16.127 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -5.055 6.873 14.478 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -5.170 5.395 15.463 1.00 0.00 H new ATOM 748 N PHE A 135 -1.287 4.762 12.242 1.00 0.00 N ATOM 749 CA PHE A 135 -0.025 4.130 11.872 1.00 0.00 C ATOM 750 C PHE A 135 1.130 5.121 11.968 1.00 0.00 C ATOM 751 O PHE A 135 0.992 6.288 11.600 1.00 0.00 O ATOM 752 CB PHE A 135 -0.104 3.566 10.450 1.00 0.00 C ATOM 753 CG PHE A 135 -1.424 2.925 10.124 1.00 0.00 C ATOM 754 CD1 PHE A 135 -1.987 1.990 10.978 1.00 0.00 C ATOM 755 CD2 PHE A 135 -2.100 3.257 8.961 1.00 0.00 C ATOM 756 CE1 PHE A 135 -3.200 1.399 10.679 1.00 0.00 C ATOM 757 CE2 PHE A 135 -3.314 2.670 8.656 1.00 0.00 C ATOM 758 CZ PHE A 135 -3.864 1.740 9.516 1.00 0.00 C ATOM 0 H PHE A 135 -1.454 5.664 11.797 1.00 0.00 H new ATOM 0 HA PHE A 135 0.157 3.313 12.571 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.084 4.371 9.739 1.00 0.00 H new ATOM 0 HB3 PHE A 135 0.689 2.831 10.316 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.472 1.720 11.888 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.673 3.983 8.285 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -3.628 0.672 11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -3.831 2.938 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 135 -4.812 1.280 9.280 1.00 0.00 H new ATOM 768 N HIS A 136 2.270 4.648 12.460 1.00 0.00 N ATOM 769 CA HIS A 136 3.450 5.494 12.598 1.00 0.00 C ATOM 770 C HIS A 136 4.003 5.872 11.228 1.00 0.00 C ATOM 771 O HIS A 136 3.526 5.388 10.201 1.00 0.00 O ATOM 772 CB HIS A 136 4.526 4.776 13.418 1.00 0.00 C ATOM 773 CG HIS A 136 4.622 5.260 14.831 1.00 0.00 C ATOM 774 ND1 HIS A 136 5.047 6.528 15.166 1.00 0.00 N ATOM 775 CD2 HIS A 136 4.344 4.638 16.001 1.00 0.00 C ATOM 776 CE1 HIS A 136 5.028 6.665 16.480 1.00 0.00 C ATOM 777 NE2 HIS A 136 4.604 5.533 17.010 1.00 0.00 N ATOM 0 H HIS A 136 2.402 3.685 12.769 1.00 0.00 H new ATOM 0 HA HIS A 136 3.158 6.406 13.119 1.00 0.00 H new ATOM 0 HB2 HIS A 136 4.315 3.707 13.422 1.00 0.00 H new ATOM 0 HB3 HIS A 136 5.492 4.909 12.931 1.00 0.00 H new ATOM 0 HD2 HIS A 136 3.985 3.626 16.119 1.00 0.00 H new ATOM 0 HE1 HIS A 136 5.311 7.552 17.027 1.00 0.00 H new ATOM 0 HE2 HIS A 136 4.488 5.352 18.007 1.00 0.00 H new ATOM 786 N HIS A 137 5.010 6.739 11.217 1.00 0.00 N ATOM 787 CA HIS A 137 5.622 7.176 9.967 1.00 0.00 C ATOM 788 C HIS A 137 6.272 6.002 9.241 1.00 0.00 C ATOM 789 O HIS A 137 6.038 5.790 8.051 1.00 0.00 O ATOM 790 CB HIS A 137 6.656 8.275 10.231 1.00 0.00 C ATOM 791 CG HIS A 137 7.808 7.832 11.079 1.00 0.00 C ATOM 792 ND1 HIS A 137 7.856 7.436 12.374 1.00 0.00 N flip ATOM 793 CD2 HIS A 137 9.103 7.764 10.611 1.00 0.00 C flip ATOM 794 CE1 HIS A 137 9.166 7.140 12.660 1.00 0.00 C flip ATOM 795 NE2 HIS A 137 9.898 7.346 11.580 1.00 0.00 N flip ATOM 0 H HIS A 137 5.418 7.152 12.056 1.00 0.00 H new ATOM 0 HA HIS A 137 4.837 7.581 9.329 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.038 8.638 9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.162 9.116 10.717 1.00 0.00 H new ATOM 0 HD2 HIS A 137 9.418 8.013 9.609 1.00 0.00 H new ATOM 0 HE1 HIS A 137 9.538 6.795 13.613 1.00 0.00 H new ATOM 0 HE2 HIS A 137 10.906 7.206 11.507 1.00 0.00 H new ATOM 804 N VAL A 138 7.083 5.237 9.966 1.00 0.00 N ATOM 805 CA VAL A 138 7.758 4.081 9.388 1.00 0.00 C ATOM 806 C VAL A 138 6.746 3.064 8.875 1.00 0.00 C ATOM 807 O VAL A 138 6.949 2.439 7.833 1.00 0.00 O ATOM 808 CB VAL A 138 8.683 3.396 10.411 1.00 0.00 C ATOM 809 CG1 VAL A 138 9.508 2.307 9.743 1.00 0.00 C ATOM 810 CG2 VAL A 138 9.585 4.419 11.085 1.00 0.00 C ATOM 0 H VAL A 138 7.288 5.397 10.952 1.00 0.00 H new ATOM 0 HA VAL A 138 8.362 4.447 8.558 1.00 0.00 H new ATOM 0 HB VAL A 138 8.063 2.931 11.177 1.00 0.00 H new ATOM 0 HG11 VAL A 138 10.155 1.835 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 138 8.842 1.559 9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 138 10.119 2.746 8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 138 10.231 3.916 11.804 1.00 0.00 H new ATOM 0 HG22 VAL A 138 10.197 4.916 10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 138 8.974 5.159 11.602 1.00 0.00 H new ATOM 820 N GLN A 139 5.651 2.907 9.612 1.00 0.00 N ATOM 821 CA GLN A 139 4.603 1.971 9.231 1.00 0.00 C ATOM 822 C GLN A 139 3.969 2.388 7.910 1.00 0.00 C ATOM 823 O GLN A 139 3.567 1.546 7.108 1.00 0.00 O ATOM 824 CB GLN A 139 3.534 1.896 10.322 1.00 0.00 C ATOM 825 CG GLN A 139 4.075 1.467 11.676 1.00 0.00 C ATOM 826 CD GLN A 139 3.758 0.020 11.998 1.00 0.00 C ATOM 827 OE1 GLN A 139 4.099 -0.879 11.082 1.00 0.00 O flip ATOM 828 NE2 GLN A 139 3.213 -0.287 13.058 1.00 0.00 N flip ATOM 0 H GLN A 139 5.468 3.417 10.476 1.00 0.00 H new ATOM 0 HA GLN A 139 5.052 0.985 9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 139 3.060 2.872 10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 139 2.759 1.196 10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 139 5.155 1.611 11.694 1.00 0.00 H new ATOM 0 HG3 GLN A 139 3.655 2.108 12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 139 2.968 0.437 13.734 1.00 0.00 H new ATOM 0 HE22 GLN A 139 3.006 -1.265 13.261 1.00 0.00 H new ATOM 837 N TRP A 140 3.889 3.696 7.690 1.00 0.00 N ATOM 838 CA TRP A 140 3.309 4.232 6.466 1.00 0.00 C ATOM 839 C TRP A 140 4.203 3.934 5.267 1.00 0.00 C ATOM 840 O TRP A 140 3.721 3.551 4.200 1.00 0.00 O ATOM 841 CB TRP A 140 3.098 5.741 6.598 1.00 0.00 C ATOM 842 CG TRP A 140 1.898 6.242 5.855 1.00 0.00 C ATOM 843 CD1 TRP A 140 0.588 5.998 6.155 1.00 0.00 C ATOM 844 CD2 TRP A 140 1.895 7.072 4.688 1.00 0.00 C ATOM 845 NE1 TRP A 140 -0.229 6.625 5.245 1.00 0.00 N ATOM 846 CE2 TRP A 140 0.550 7.291 4.335 1.00 0.00 C ATOM 847 CE3 TRP A 140 2.899 7.651 3.907 1.00 0.00 C ATOM 848 CZ2 TRP A 140 0.185 8.065 3.236 1.00 0.00 C ATOM 849 CZ3 TRP A 140 2.535 8.419 2.817 1.00 0.00 C ATOM 850 CH2 TRP A 140 1.188 8.620 2.490 1.00 0.00 C ATOM 0 H TRP A 140 4.219 4.405 8.345 1.00 0.00 H new ATOM 0 HA TRP A 140 2.345 3.750 6.306 1.00 0.00 H new ATOM 0 HB2 TRP A 140 2.995 5.995 7.653 1.00 0.00 H new ATOM 0 HB3 TRP A 140 3.985 6.258 6.231 1.00 0.00 H new ATOM 0 HD1 TRP A 140 0.244 5.400 6.986 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -1.249 6.599 5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 140 3.940 7.501 4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.853 8.221 2.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 3.302 8.872 2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 140 0.936 9.225 1.632 1.00 0.00 H new ATOM 861 N GLN A 141 5.507 4.111 5.449 1.00 0.00 N ATOM 862 CA GLN A 141 6.468 3.859 4.380 1.00 0.00 C ATOM 863 C GLN A 141 6.423 2.401 3.936 1.00 0.00 C ATOM 864 O GLN A 141 6.493 2.102 2.744 1.00 0.00 O ATOM 865 CB GLN A 141 7.884 4.216 4.840 1.00 0.00 C ATOM 866 CG GLN A 141 7.989 5.587 5.486 1.00 0.00 C ATOM 867 CD GLN A 141 9.424 6.051 5.639 1.00 0.00 C ATOM 868 OE1 GLN A 141 10.350 5.418 5.132 1.00 0.00 O ATOM 869 NE2 GLN A 141 9.616 7.161 6.342 1.00 0.00 N ATOM 0 H GLN A 141 5.923 4.427 6.325 1.00 0.00 H new ATOM 0 HA GLN A 141 6.197 4.488 3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.227 3.463 5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 141 8.556 4.176 3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.439 6.311 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 141 7.513 5.560 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.819 7.654 6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 141 10.561 7.521 6.479 1.00 0.00 H new ATOM 878 N GLN A 142 6.312 1.495 4.903 1.00 0.00 N ATOM 879 CA GLN A 142 6.265 0.066 4.611 1.00 0.00 C ATOM 880 C GLN A 142 4.922 -0.334 4.007 1.00 0.00 C ATOM 881 O GLN A 142 4.867 -1.114 3.057 1.00 0.00 O ATOM 882 CB GLN A 142 6.527 -0.744 5.882 1.00 0.00 C ATOM 883 CG GLN A 142 5.533 -0.464 6.997 1.00 0.00 C ATOM 884 CD GLN A 142 5.813 -1.280 8.244 1.00 0.00 C ATOM 885 OE1 GLN A 142 6.884 -0.934 8.949 1.00 0.00 O flip ATOM 886 NE2 GLN A 142 5.075 -2.209 8.570 1.00 0.00 N flip ATOM 0 H GLN A 142 6.253 1.725 5.895 1.00 0.00 H new ATOM 0 HA GLN A 142 7.044 -0.150 3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 142 6.498 -1.806 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 142 7.533 -0.527 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 142 5.562 0.597 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 142 4.525 -0.681 6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 142 4.263 -2.440 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 142 5.276 -2.748 9.412 1.00 0.00 H new ATOM 895 N LYS A 143 3.839 0.199 4.565 1.00 0.00 N ATOM 896 CA LYS A 143 2.499 -0.112 4.077 1.00 0.00 C ATOM 897 C LYS A 143 2.335 0.311 2.620 1.00 0.00 C ATOM 898 O LYS A 143 1.944 -0.491 1.772 1.00 0.00 O ATOM 899 CB LYS A 143 1.442 0.578 4.941 1.00 0.00 C ATOM 900 CG LYS A 143 0.196 -0.265 5.166 1.00 0.00 C ATOM 901 CD LYS A 143 -1.072 0.562 5.022 1.00 0.00 C ATOM 902 CE LYS A 143 -2.134 0.132 6.021 1.00 0.00 C ATOM 903 NZ LYS A 143 -3.010 -0.941 5.474 1.00 0.00 N ATOM 0 H LYS A 143 3.862 0.846 5.353 1.00 0.00 H new ATOM 0 HA LYS A 143 2.362 -1.191 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 143 1.881 0.828 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 143 1.155 1.517 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 143 0.178 -1.087 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 143 0.231 -0.709 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -0.839 1.617 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -1.461 0.460 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -1.653 -0.222 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -2.743 0.993 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -3.720 -1.206 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -3.489 -0.595 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -2.433 -1.772 5.235 1.00 0.00 H new ATOM 917 N LEU A 144 2.633 1.574 2.338 1.00 0.00 N ATOM 918 CA LEU A 144 2.515 2.104 0.984 1.00 0.00 C ATOM 919 C LEU A 144 3.542 1.463 0.054 1.00 0.00 C ATOM 920 O LEU A 144 3.291 1.292 -1.139 1.00 0.00 O ATOM 921 CB LEU A 144 2.689 3.625 0.993 1.00 0.00 C ATOM 922 CG LEU A 144 1.393 4.424 0.839 1.00 0.00 C ATOM 923 CD1 LEU A 144 1.363 5.591 1.815 1.00 0.00 C ATOM 924 CD2 LEU A 144 1.238 4.920 -0.591 1.00 0.00 C ATOM 0 H LEU A 144 2.958 2.250 3.029 1.00 0.00 H new ATOM 0 HA LEU A 144 1.520 1.863 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 144 3.169 3.915 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.368 3.903 0.187 1.00 0.00 H new ATOM 0 HG LEU A 144 0.555 3.765 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.434 6.146 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.425 5.213 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.209 6.250 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 144 0.311 5.486 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.081 5.562 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 144 1.211 4.068 -1.271 1.00 0.00 H new ATOM 936 N ALA A 145 4.700 1.113 0.605 1.00 0.00 N ATOM 937 CA ALA A 145 5.762 0.494 -0.179 1.00 0.00 C ATOM 938 C ALA A 145 5.391 -0.929 -0.582 1.00 0.00 C ATOM 939 O ALA A 145 5.319 -1.250 -1.769 1.00 0.00 O ATOM 940 CB ALA A 145 7.067 0.498 0.603 1.00 0.00 C ATOM 0 H ALA A 145 4.926 1.247 1.590 1.00 0.00 H new ATOM 0 HA ALA A 145 5.894 1.079 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 145 7.851 0.033 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 145 7.349 1.525 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 145 6.938 -0.061 1.530 1.00 0.00 H new ATOM 946 N ARG A 146 5.159 -1.780 0.412 1.00 0.00 N ATOM 947 CA ARG A 146 4.797 -3.170 0.161 1.00 0.00 C ATOM 948 C ARG A 146 3.494 -3.260 -0.630 1.00 0.00 C ATOM 949 O ARG A 146 3.278 -4.210 -1.382 1.00 0.00 O ATOM 950 CB ARG A 146 4.663 -3.930 1.483 1.00 0.00 C ATOM 951 CG ARG A 146 5.752 -4.968 1.700 1.00 0.00 C ATOM 952 CD ARG A 146 5.212 -6.206 2.396 1.00 0.00 C ATOM 953 NE ARG A 146 5.096 -6.016 3.840 1.00 0.00 N ATOM 954 CZ ARG A 146 6.122 -6.101 4.684 1.00 0.00 C ATOM 955 NH1 ARG A 146 7.341 -6.371 4.233 1.00 0.00 N ATOM 956 NH2 ARG A 146 5.929 -5.915 5.983 1.00 0.00 N ATOM 0 H ARG A 146 5.215 -1.531 1.400 1.00 0.00 H new ATOM 0 HA ARG A 146 5.590 -3.626 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 146 4.683 -3.216 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 146 3.691 -4.423 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 146 6.185 -5.249 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.555 -4.535 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.235 -6.456 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 146 5.869 -7.052 2.193 1.00 0.00 H new ATOM 0 HE ARG A 146 4.175 -5.806 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.495 -6.515 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 146 8.123 -6.435 4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 146 4.995 -5.707 6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 146 6.715 -5.980 6.630 1.00 0.00 H new ATOM 970 N SER A 147 2.630 -2.265 -0.454 1.00 0.00 N ATOM 971 CA SER A 147 1.349 -2.235 -1.151 1.00 0.00 C ATOM 972 C SER A 147 1.550 -2.060 -2.653 1.00 0.00 C ATOM 973 O SER A 147 1.026 -2.834 -3.453 1.00 0.00 O ATOM 974 CB SER A 147 0.475 -1.104 -0.606 1.00 0.00 C ATOM 975 OG SER A 147 -0.273 -1.533 0.518 1.00 0.00 O ATOM 0 H SER A 147 2.793 -1.470 0.164 1.00 0.00 H new ATOM 0 HA SER A 147 0.848 -3.188 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.103 -0.257 -0.327 1.00 0.00 H new ATOM 0 HB3 SER A 147 -0.202 -0.756 -1.386 1.00 0.00 H new ATOM 0 HG SER A 147 0.216 -1.314 1.339 1.00 0.00 H new ATOM 981 N LEU A 148 2.312 -1.037 -3.027 1.00 0.00 N ATOM 982 CA LEU A 148 2.582 -0.760 -4.434 1.00 0.00 C ATOM 983 C LEU A 148 3.590 -1.754 -5.002 1.00 0.00 C ATOM 984 O LEU A 148 3.554 -2.080 -6.188 1.00 0.00 O ATOM 985 CB LEU A 148 3.105 0.668 -4.602 1.00 0.00 C ATOM 986 CG LEU A 148 2.118 1.769 -4.209 1.00 0.00 C ATOM 987 CD1 LEU A 148 2.730 3.141 -4.442 1.00 0.00 C ATOM 988 CD2 LEU A 148 0.820 1.623 -4.988 1.00 0.00 C ATOM 0 H LEU A 148 2.753 -0.387 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 148 1.647 -0.865 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 148 4.009 0.781 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.392 0.813 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 148 1.894 1.669 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.014 3.912 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.633 3.244 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 148 2.983 3.252 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.129 2.414 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 148 1.026 1.697 -6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.373 0.653 -4.771 1.00 0.00 H new ATOM 1000 N GLN A 149 4.490 -2.231 -4.148 1.00 0.00 N ATOM 1001 CA GLN A 149 5.509 -3.187 -4.566 1.00 0.00 C ATOM 1002 C GLN A 149 4.883 -4.531 -4.922 1.00 0.00 C ATOM 1003 O GLN A 149 5.039 -5.023 -6.040 1.00 0.00 O ATOM 1004 CB GLN A 149 6.548 -3.373 -3.459 1.00 0.00 C ATOM 1005 CG GLN A 149 7.756 -4.190 -3.890 1.00 0.00 C ATOM 1006 CD GLN A 149 8.924 -3.323 -4.318 1.00 0.00 C ATOM 1007 OE1 GLN A 149 9.730 -2.896 -3.491 1.00 0.00 O ATOM 1008 NE2 GLN A 149 9.020 -3.058 -5.615 1.00 0.00 N ATOM 0 H GLN A 149 4.534 -1.971 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 149 6.001 -2.790 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 149 6.885 -2.393 -3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 149 6.075 -3.861 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 149 8.068 -4.833 -3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 149 7.472 -4.844 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 149 8.329 -3.433 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 149 9.785 -2.479 -5.962 1.00 0.00 H new ATOM 1017 N ILE A 150 4.174 -5.120 -3.965 1.00 0.00 N ATOM 1018 CA ILE A 150 3.524 -6.409 -4.179 1.00 0.00 C ATOM 1019 C ILE A 150 2.271 -6.263 -5.038 1.00 0.00 C ATOM 1020 O ILE A 150 1.794 -7.234 -5.625 1.00 0.00 O ATOM 1021 CB ILE A 150 3.144 -7.077 -2.843 1.00 0.00 C ATOM 1022 CG1 ILE A 150 4.348 -7.110 -1.901 1.00 0.00 C ATOM 1023 CG2 ILE A 150 2.615 -8.483 -3.085 1.00 0.00 C ATOM 1024 CD1 ILE A 150 3.981 -6.926 -0.444 1.00 0.00 C ATOM 0 H ILE A 150 4.035 -4.726 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 150 4.244 -7.040 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 150 2.356 -6.489 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 150 4.866 -8.062 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 150 5.049 -6.328 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 150 2.351 -8.941 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 150 1.732 -8.435 -3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 150 3.383 -9.081 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 150 4.884 -6.960 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 150 3.490 -5.962 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 150 3.304 -7.723 -0.136 1.00 0.00 H new ATOM 1036 N GLY A 151 1.743 -5.046 -5.108 1.00 0.00 N ATOM 1037 CA GLY A 151 0.551 -4.800 -5.897 1.00 0.00 C ATOM 1038 C GLY A 151 0.834 -4.782 -7.386 1.00 0.00 C ATOM 1039 O GLY A 151 0.092 -5.370 -8.173 1.00 0.00 O ATOM 0 H GLY A 151 2.119 -4.226 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -0.189 -5.570 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 151 0.114 -3.846 -5.602 1.00 0.00 H new