USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 614 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 5 TYR OH : rot 166:sc= 0.0444 USER MOD Set 1.2: A 34 CYS SG : rot -94:sc= 0.435 USER MOD Set 2.1: A 31 CYS SG : rot 143:sc= 0.8 USER MOD Set 2.2: A 33 HIS : no HE2:sc= 0.00168 K(o=0.8,f=-2.5) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 147:sc= 0.355 USER MOD Single : A 35 GLN : amide:sc= 0.977 K(o=0.98,f=-0.05) USER MOD Single : A 38 GLN : amide:sc= 0.213 X(o=0.21,f=0) USER MOD Single : A 46 SER OG : rot 76:sc= 0.697 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00212 USER MOD Single : A 53 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -147:sc= 0.246 (180deg=0.0175) USER MOD Single : A 75 THR OG1 : rot 130:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 87:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.299 -3.062 6.956 1.00 0.00 N ATOM 70 CA TYR A 5 8.528 -3.998 6.136 1.00 0.00 C ATOM 71 C TYR A 5 8.416 -5.421 6.719 1.00 0.00 C ATOM 72 O TYR A 5 9.296 -5.878 7.448 1.00 0.00 O ATOM 73 CB TYR A 5 9.112 -4.046 4.718 1.00 0.00 C ATOM 74 CG TYR A 5 8.635 -2.963 3.778 1.00 0.00 C ATOM 75 CD1 TYR A 5 7.433 -3.151 3.078 1.00 0.00 C ATOM 76 CD2 TYR A 5 9.400 -1.801 3.586 1.00 0.00 C ATOM 77 CE1 TYR A 5 6.991 -2.178 2.159 1.00 0.00 C ATOM 78 CE2 TYR A 5 8.970 -0.832 2.660 1.00 0.00 C ATOM 79 CZ TYR A 5 7.779 -1.027 1.926 1.00 0.00 C ATOM 80 OH TYR A 5 7.403 -0.119 0.984 1.00 0.00 O ATOM 0 HA TYR A 5 7.508 -3.613 6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.198 -3.988 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.873 -5.015 4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.846 -4.042 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.312 -1.652 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.056 -2.311 1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.553 0.065 2.510 1.00 0.00 H new ATOM 0 HH TYR A 5 7.917 0.707 1.103 1.00 0.00 H new ATOM 89 N SER A 6 7.339 -6.128 6.370 1.00 0.00 N ATOM 90 CA SER A 6 7.032 -7.473 6.870 1.00 0.00 C ATOM 91 C SER A 6 7.107 -8.541 5.768 1.00 0.00 C ATOM 92 O SER A 6 6.306 -8.563 4.830 1.00 0.00 O ATOM 93 CB SER A 6 5.631 -7.490 7.502 1.00 0.00 C ATOM 94 OG SER A 6 5.528 -6.602 8.614 1.00 0.00 O ATOM 0 H SER A 6 6.639 -5.775 5.717 1.00 0.00 H new ATOM 0 HA SER A 6 7.787 -7.716 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.892 -7.214 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.393 -8.503 7.826 1.00 0.00 H new ATOM 0 HG SER A 6 4.621 -6.644 8.983 1.00 0.00 H new ATOM 99 N ALA A 7 8.059 -9.473 5.889 1.00 0.00 N ATOM 100 CA ALA A 7 8.181 -10.641 5.008 1.00 0.00 C ATOM 101 C ALA A 7 7.150 -11.736 5.328 1.00 0.00 C ATOM 102 O ALA A 7 6.806 -12.532 4.458 1.00 0.00 O ATOM 103 CB ALA A 7 9.611 -11.179 5.135 1.00 0.00 C ATOM 0 H ALA A 7 8.777 -9.437 6.612 1.00 0.00 H new ATOM 0 HA ALA A 7 7.975 -10.333 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.731 -12.049 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.319 -10.406 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.802 -11.465 6.169 1.00 0.00 H new ATOM 109 N GLU A 8 6.625 -11.755 6.555 1.00 0.00 N ATOM 110 CA GLU A 8 5.599 -12.684 7.048 1.00 0.00 C ATOM 111 C GLU A 8 4.154 -12.249 6.723 1.00 0.00 C ATOM 112 O GLU A 8 3.206 -12.640 7.403 1.00 0.00 O ATOM 113 CB GLU A 8 5.822 -12.951 8.555 1.00 0.00 C ATOM 114 CG GLU A 8 5.691 -11.727 9.477 1.00 0.00 C ATOM 115 CD GLU A 8 7.017 -10.963 9.632 1.00 0.00 C ATOM 116 OE1 GLU A 8 7.356 -10.154 8.734 1.00 0.00 O ATOM 117 OE2 GLU A 8 7.719 -11.169 10.648 1.00 0.00 O ATOM 0 H GLU A 8 6.917 -11.089 7.271 1.00 0.00 H new ATOM 0 HA GLU A 8 5.717 -13.622 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.107 -13.706 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.817 -13.377 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.932 -11.054 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.345 -12.051 10.459 1.00 0.00 H new ATOM 122 N ALA A 9 3.967 -11.424 5.687 1.00 0.00 N ATOM 123 CA ALA A 9 2.653 -10.956 5.231 1.00 0.00 C ATOM 124 C ALA A 9 1.738 -12.112 4.758 1.00 0.00 C ATOM 125 O ALA A 9 2.243 -13.143 4.293 1.00 0.00 O ATOM 126 CB ALA A 9 2.859 -9.930 4.109 1.00 0.00 C ATOM 0 H ALA A 9 4.739 -11.056 5.131 1.00 0.00 H new ATOM 0 HA ALA A 9 2.142 -10.494 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.890 -9.573 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.441 -9.089 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.393 -10.398 3.282 1.00 0.00 H new ATOM 132 N PRO A 10 0.406 -11.933 4.823 1.00 0.00 N ATOM 133 CA PRO A 10 -0.577 -12.933 4.419 1.00 0.00 C ATOM 134 C PRO A 10 -0.552 -13.232 2.921 1.00 0.00 C ATOM 135 O PRO A 10 -0.118 -12.411 2.108 1.00 0.00 O ATOM 136 CB PRO A 10 -1.936 -12.340 4.820 1.00 0.00 C ATOM 137 CG PRO A 10 -1.690 -10.839 4.777 1.00 0.00 C ATOM 138 CD PRO A 10 -0.274 -10.739 5.312 1.00 0.00 C ATOM 0 HA PRO A 10 -0.365 -13.887 4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.725 -12.638 4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.241 -12.669 5.813 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.774 -10.440 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.400 -10.291 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.218 -9.833 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.267 -10.700 6.401 1.00 0.00 H new ATOM 143 N ALA A 11 -1.102 -14.390 2.552 1.00 0.00 N ATOM 144 CA ALA A 11 -1.538 -14.682 1.182 1.00 0.00 C ATOM 145 C ALA A 11 -2.847 -13.941 0.848 1.00 0.00 C ATOM 146 O ALA A 11 -3.611 -13.587 1.746 1.00 0.00 O ATOM 147 CB ALA A 11 -1.694 -16.204 1.038 1.00 0.00 C ATOM 0 H ALA A 11 -1.260 -15.161 3.201 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.792 -14.328 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.018 -16.442 0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.738 -16.688 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.437 -16.563 1.750 1.00 0.00 H new ATOM 153 N ARG A 12 -3.159 -13.755 -0.440 1.00 0.00 N ATOM 154 CA ARG A 12 -4.336 -12.964 -0.854 1.00 0.00 C ATOM 155 C ARG A 12 -5.679 -13.578 -0.400 1.00 0.00 C ATOM 156 O ARG A 12 -6.639 -12.860 -0.144 1.00 0.00 O ATOM 157 CB ARG A 12 -4.284 -12.712 -2.371 1.00 0.00 C ATOM 158 CG ARG A 12 -5.018 -11.420 -2.776 1.00 0.00 C ATOM 159 CD ARG A 12 -4.719 -11.089 -4.243 1.00 0.00 C ATOM 160 NE ARG A 12 -5.369 -9.833 -4.662 1.00 0.00 N ATOM 161 CZ ARG A 12 -6.352 -9.683 -5.549 1.00 0.00 C ATOM 162 NH1 ARG A 12 -6.919 -10.707 -6.154 1.00 0.00 N ATOM 163 NH2 ARG A 12 -6.785 -8.475 -5.840 1.00 0.00 N ATOM 0 H ARG A 12 -2.618 -14.138 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.288 -12.004 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.244 -12.652 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.730 -13.559 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.092 -11.541 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.702 -10.596 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.641 -11.006 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.062 -11.906 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.026 -8.980 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.608 -11.657 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.669 -10.550 -6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.368 -7.661 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.537 -8.352 -6.518 1.00 0.00 H new ATOM 174 N ASP A 13 -5.733 -14.901 -0.223 1.00 0.00 N ATOM 175 CA ASP A 13 -6.885 -15.617 0.353 1.00 0.00 C ATOM 176 C ASP A 13 -7.049 -15.400 1.877 1.00 0.00 C ATOM 177 O ASP A 13 -8.163 -15.486 2.391 1.00 0.00 O ATOM 178 CB ASP A 13 -6.742 -17.119 0.059 1.00 0.00 C ATOM 179 CG ASP A 13 -6.782 -17.429 -1.443 1.00 0.00 C ATOM 180 OD1 ASP A 13 -7.900 -17.591 -1.990 1.00 0.00 O ATOM 181 OD2 ASP A 13 -5.699 -17.521 -2.067 1.00 0.00 O ATOM 0 H ASP A 13 -4.964 -15.521 -0.480 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.780 -15.208 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.802 -17.480 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.543 -17.662 0.560 1.00 0.00 H new ATOM 185 N GLU A 14 -5.961 -15.099 2.594 1.00 0.00 N ATOM 186 CA GLU A 14 -5.962 -14.761 4.022 1.00 0.00 C ATOM 187 C GLU A 14 -6.225 -13.259 4.231 1.00 0.00 C ATOM 188 O GLU A 14 -6.889 -12.865 5.188 1.00 0.00 O ATOM 189 CB GLU A 14 -4.594 -15.115 4.627 1.00 0.00 C ATOM 190 CG GLU A 14 -4.264 -16.610 4.603 1.00 0.00 C ATOM 191 CD GLU A 14 -2.873 -16.868 5.193 1.00 0.00 C ATOM 192 OE1 GLU A 14 -1.876 -16.375 4.613 1.00 0.00 O ATOM 193 OE2 GLU A 14 -2.773 -17.561 6.233 1.00 0.00 O ATOM 0 H GLU A 14 -5.027 -15.083 2.184 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.754 -15.328 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.819 -14.575 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.564 -14.764 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.013 -17.162 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.304 -16.980 3.578 1.00 0.00 H new ATOM 198 N LEU A 15 -5.747 -12.421 3.303 1.00 0.00 N ATOM 199 CA LEU A 15 -5.999 -10.986 3.200 1.00 0.00 C ATOM 200 C LEU A 15 -7.493 -10.702 2.992 1.00 0.00 C ATOM 201 O LEU A 15 -8.022 -9.766 3.572 1.00 0.00 O ATOM 202 CB LEU A 15 -5.173 -10.495 2.003 1.00 0.00 C ATOM 203 CG LEU A 15 -5.060 -8.969 1.877 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.927 -8.413 2.741 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.758 -8.631 0.418 1.00 0.00 C ATOM 0 H LEU A 15 -5.135 -12.753 2.558 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.714 -10.468 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.169 -10.914 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.617 -10.888 1.088 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.998 -8.525 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.879 -7.330 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.113 -8.658 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.981 -8.854 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.673 -7.550 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.820 -9.101 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.565 -9.000 -0.215 1.00 0.00 H new ATOM 216 N ASP A 16 -8.196 -11.534 2.221 1.00 0.00 N ATOM 217 CA ASP A 16 -9.641 -11.454 1.956 1.00 0.00 C ATOM 218 C ASP A 16 -10.512 -11.568 3.232 1.00 0.00 C ATOM 219 O ASP A 16 -11.683 -11.184 3.213 1.00 0.00 O ATOM 220 CB ASP A 16 -9.989 -12.552 0.936 1.00 0.00 C ATOM 221 CG ASP A 16 -11.470 -12.549 0.518 1.00 0.00 C ATOM 222 OD1 ASP A 16 -11.880 -11.637 -0.241 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.204 -13.492 0.910 1.00 0.00 O ATOM 0 H ASP A 16 -7.757 -12.319 1.741 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.868 -10.466 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.368 -12.424 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.741 -13.525 1.361 1.00 0.00 H new ATOM 227 N ARG A 17 -9.933 -12.028 4.353 1.00 0.00 N ATOM 228 CA ARG A 17 -10.572 -12.034 5.669 1.00 0.00 C ATOM 229 C ARG A 17 -10.638 -10.631 6.306 1.00 0.00 C ATOM 230 O ARG A 17 -11.415 -10.446 7.248 1.00 0.00 O ATOM 231 CB ARG A 17 -9.843 -13.005 6.619 1.00 0.00 C ATOM 232 CG ARG A 17 -9.705 -14.451 6.098 1.00 0.00 C ATOM 233 CD ARG A 17 -11.043 -15.151 5.826 1.00 0.00 C ATOM 234 NE ARG A 17 -11.812 -15.323 7.076 1.00 0.00 N ATOM 235 CZ ARG A 17 -13.096 -15.051 7.290 1.00 0.00 C ATOM 236 NH1 ARG A 17 -13.881 -14.593 6.337 1.00 0.00 N ATOM 237 NH2 ARG A 17 -13.617 -15.241 8.482 1.00 0.00 N ATOM 0 H ARG A 17 -8.988 -12.413 4.365 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.598 -12.370 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.847 -12.612 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.376 -13.027 7.570 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.120 -14.440 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.143 -15.036 6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.625 -14.567 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.863 -16.124 5.369 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.295 -15.696 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.508 -14.437 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.862 -14.395 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.036 -15.597 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.602 -15.033 8.647 1.00 0.00 H new ATOM 248 N LEU A 18 -9.856 -9.646 5.825 1.00 0.00 N ATOM 249 CA LEU A 18 -9.951 -8.257 6.322 1.00 0.00 C ATOM 250 C LEU A 18 -11.263 -7.581 5.880 1.00 0.00 C ATOM 251 O LEU A 18 -11.895 -8.018 4.918 1.00 0.00 O ATOM 252 CB LEU A 18 -8.659 -7.445 6.027 1.00 0.00 C ATOM 253 CG LEU A 18 -8.468 -6.806 4.626 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.222 -5.481 4.442 1.00 0.00 C ATOM 255 CD2 LEU A 18 -6.971 -6.534 4.404 1.00 0.00 C ATOM 0 H LEU A 18 -9.155 -9.783 5.097 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.010 -8.286 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.600 -6.644 6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.810 -8.104 6.205 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.874 -7.515 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.040 -5.095 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.290 -5.648 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.871 -4.758 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.825 -6.085 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.607 -5.852 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.419 -7.472 4.460 1.00 0.00 H new ATOM 266 N ALA A 19 -11.679 -6.514 6.574 1.00 0.00 N ATOM 267 CA ALA A 19 -12.935 -5.790 6.296 1.00 0.00 C ATOM 268 C ALA A 19 -12.816 -4.251 6.318 1.00 0.00 C ATOM 269 O ALA A 19 -13.622 -3.578 5.668 1.00 0.00 O ATOM 270 CB ALA A 19 -13.984 -6.273 7.311 1.00 0.00 C ATOM 0 H ALA A 19 -11.151 -6.122 7.353 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.227 -6.018 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.927 -5.756 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.132 -7.347 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.638 -6.059 8.322 1.00 0.00 H new ATOM 276 N GLY A 20 -11.838 -3.678 7.027 1.00 0.00 N ATOM 277 CA GLY A 20 -11.695 -2.221 7.165 1.00 0.00 C ATOM 278 C GLY A 20 -11.006 -1.565 5.958 1.00 0.00 C ATOM 279 O GLY A 20 -10.503 -2.282 5.085 1.00 0.00 O ATOM 0 H GLY A 20 -11.122 -4.209 7.522 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.681 -1.776 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.122 -2.002 8.066 1.00 0.00 H new ATOM 283 N PRO A 21 -10.962 -0.216 5.897 1.00 0.00 N ATOM 284 CA PRO A 21 -10.171 0.513 4.914 1.00 0.00 C ATOM 285 C PRO A 21 -8.682 0.258 5.191 1.00 0.00 C ATOM 286 O PRO A 21 -8.153 0.719 6.207 1.00 0.00 O ATOM 287 CB PRO A 21 -10.551 2.004 5.048 1.00 0.00 C ATOM 288 CG PRO A 21 -11.818 1.982 5.905 1.00 0.00 C ATOM 289 CD PRO A 21 -11.665 0.723 6.754 1.00 0.00 C ATOM 0 HA PRO A 21 -10.367 0.188 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.756 2.578 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.734 2.459 4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.896 2.875 6.525 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.716 1.942 5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.102 0.926 7.665 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.635 0.331 7.059 1.00 0.00 H new ATOM 294 N THR A 22 -8.016 -0.480 4.306 1.00 0.00 N ATOM 295 CA THR A 22 -6.625 -0.926 4.482 1.00 0.00 C ATOM 296 C THR A 22 -5.873 -0.770 3.171 1.00 0.00 C ATOM 297 O THR A 22 -6.220 -1.387 2.171 1.00 0.00 O ATOM 298 CB THR A 22 -6.573 -2.388 4.947 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.166 -2.465 6.227 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.137 -2.911 5.085 1.00 0.00 C ATOM 0 H THR A 22 -8.430 -0.794 3.428 1.00 0.00 H new ATOM 0 HA THR A 22 -6.155 -0.310 5.248 1.00 0.00 H new ATOM 0 HB THR A 22 -7.093 -2.988 4.200 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.144 -3.393 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.158 -3.949 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.633 -2.848 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.599 -2.308 5.816 1.00 0.00 H new ATOM 308 N LEU A 23 -4.799 0.013 3.178 1.00 0.00 N ATOM 309 CA LEU A 23 -3.840 0.056 2.081 1.00 0.00 C ATOM 310 C LEU A 23 -2.824 -1.088 2.232 1.00 0.00 C ATOM 311 O LEU A 23 -2.306 -1.314 3.320 1.00 0.00 O ATOM 312 CB LEU A 23 -3.185 1.449 2.075 1.00 0.00 C ATOM 313 CG LEU A 23 -2.248 1.707 0.885 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.948 1.414 -0.434 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.723 3.139 0.907 1.00 0.00 C ATOM 0 H LEU A 23 -4.569 0.639 3.950 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.327 -0.093 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.970 2.206 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.621 1.576 2.999 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.399 1.030 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.263 1.605 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.261 0.370 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.823 2.057 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.062 3.297 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.560 3.834 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.171 3.310 1.831 1.00 0.00 H new ATOM 326 N VAL A 24 -2.534 -1.802 1.145 1.00 0.00 N ATOM 327 CA VAL A 24 -1.525 -2.874 1.088 1.00 0.00 C ATOM 328 C VAL A 24 -0.399 -2.455 0.147 1.00 0.00 C ATOM 329 O VAL A 24 -0.635 -2.280 -1.047 1.00 0.00 O ATOM 330 CB VAL A 24 -2.164 -4.202 0.615 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.146 -5.354 0.579 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.339 -4.610 1.519 1.00 0.00 C ATOM 0 H VAL A 24 -3.004 -1.651 0.252 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.118 -3.037 2.086 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.525 -4.020 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.640 -6.265 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.337 -5.104 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.739 -5.511 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.766 -5.546 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.983 -4.741 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.102 -3.832 1.498 1.00 0.00 H new ATOM 342 N GLU A 25 0.805 -2.272 0.691 1.00 0.00 N ATOM 343 CA GLU A 25 1.997 -1.751 0.007 1.00 0.00 C ATOM 344 C GLU A 25 3.054 -2.841 -0.202 1.00 0.00 C ATOM 345 O GLU A 25 3.424 -3.528 0.752 1.00 0.00 O ATOM 346 CB GLU A 25 2.581 -0.602 0.844 1.00 0.00 C ATOM 347 CG GLU A 25 3.891 0.002 0.321 1.00 0.00 C ATOM 348 CD GLU A 25 4.449 1.098 1.246 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.721 0.819 2.437 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.640 2.241 0.771 1.00 0.00 O ATOM 0 H GLU A 25 0.988 -2.493 1.670 1.00 0.00 H new ATOM 0 HA GLU A 25 1.705 -1.392 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.836 0.191 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.749 -0.964 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.633 -0.789 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.723 0.420 -0.671 1.00 0.00 H new ATOM 355 N PHE A 26 3.574 -2.946 -1.429 1.00 0.00 N ATOM 356 CA PHE A 26 4.679 -3.840 -1.793 1.00 0.00 C ATOM 357 C PHE A 26 5.976 -3.028 -1.933 1.00 0.00 C ATOM 358 O PHE A 26 6.018 -2.017 -2.645 1.00 0.00 O ATOM 359 CB PHE A 26 4.347 -4.593 -3.096 1.00 0.00 C ATOM 360 CG PHE A 26 2.887 -5.006 -3.229 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.326 -5.984 -2.382 1.00 0.00 C ATOM 362 CD2 PHE A 26 2.068 -4.345 -4.162 1.00 0.00 C ATOM 363 CE1 PHE A 26 0.944 -6.244 -2.424 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.695 -4.638 -4.226 1.00 0.00 C ATOM 365 CZ PHE A 26 0.127 -5.568 -3.340 1.00 0.00 C ATOM 0 H PHE A 26 3.230 -2.398 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 26 4.821 -4.581 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.612 -3.961 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.971 -5.485 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.958 -6.534 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.495 -3.611 -4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.511 -6.967 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.074 -4.146 -4.960 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.935 -5.761 -3.365 1.00 0.00 H new ATOM 374 N GLY A 27 7.042 -3.468 -1.259 1.00 0.00 N ATOM 375 CA GLY A 27 8.343 -2.798 -1.271 1.00 0.00 C ATOM 376 C GLY A 27 9.413 -3.478 -0.420 1.00 0.00 C ATOM 377 O GLY A 27 9.265 -4.646 -0.069 1.00 0.00 O ATOM 0 H GLY A 27 7.024 -4.310 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.698 -2.740 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.214 -1.774 -0.920 1.00 0.00 H new ATOM 381 N THR A 28 10.483 -2.744 -0.104 1.00 0.00 N ATOM 382 CA THR A 28 11.587 -3.159 0.788 1.00 0.00 C ATOM 383 C THR A 28 12.133 -1.952 1.543 1.00 0.00 C ATOM 384 O THR A 28 11.795 -0.802 1.259 1.00 0.00 O ATOM 385 CB THR A 28 12.732 -3.851 0.029 1.00 0.00 C ATOM 386 OG1 THR A 28 13.267 -2.970 -0.935 1.00 0.00 O ATOM 387 CG2 THR A 28 12.305 -5.158 -0.639 1.00 0.00 C ATOM 0 H THR A 28 10.616 -1.803 -0.475 1.00 0.00 H new ATOM 0 HA THR A 28 11.172 -3.884 1.489 1.00 0.00 H new ATOM 0 HB THR A 28 13.491 -4.109 0.767 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.227 -3.139 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.157 -5.597 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.944 -5.853 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.508 -4.957 -1.355 1.00 0.00 H new ATOM 395 N ASP A 29 13.017 -2.205 2.507 1.00 0.00 N ATOM 396 CA ASP A 29 13.686 -1.153 3.285 1.00 0.00 C ATOM 397 C ASP A 29 14.801 -0.451 2.480 1.00 0.00 C ATOM 398 O ASP A 29 15.346 0.558 2.928 1.00 0.00 O ATOM 399 CB ASP A 29 14.222 -1.791 4.578 1.00 0.00 C ATOM 400 CG ASP A 29 14.815 -0.772 5.567 1.00 0.00 C ATOM 401 OD1 ASP A 29 14.064 0.106 6.053 1.00 0.00 O ATOM 402 OD2 ASP A 29 16.022 -0.889 5.890 1.00 0.00 O ATOM 0 H ASP A 29 13.294 -3.150 2.775 1.00 0.00 H new ATOM 0 HA ASP A 29 12.971 -0.367 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.413 -2.333 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.987 -2.524 4.322 1.00 0.00 H new ATOM 406 N TRP A 30 15.144 -0.977 1.295 1.00 0.00 N ATOM 407 CA TRP A 30 16.402 -0.703 0.596 1.00 0.00 C ATOM 408 C TRP A 30 16.275 -0.298 -0.887 1.00 0.00 C ATOM 409 O TRP A 30 17.230 0.270 -1.426 1.00 0.00 O ATOM 410 CB TRP A 30 17.306 -1.933 0.774 1.00 0.00 C ATOM 411 CG TRP A 30 16.740 -3.265 0.395 1.00 0.00 C ATOM 412 CD1 TRP A 30 16.275 -4.201 1.257 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.604 -3.854 -0.936 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.857 -5.316 0.555 1.00 0.00 N ATOM 415 CE2 TRP A 30 16.022 -5.151 -0.804 1.00 0.00 C ATOM 416 CE3 TRP A 30 16.921 -3.423 -2.239 1.00 0.00 C ATOM 417 CZ2 TRP A 30 15.734 -5.963 -1.909 1.00 0.00 C ATOM 418 CZ3 TRP A 30 16.644 -4.230 -3.357 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.049 -5.496 -3.197 1.00 0.00 C ATOM 0 H TRP A 30 14.537 -1.620 0.786 1.00 0.00 H new ATOM 0 HA TRP A 30 16.836 0.188 1.049 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.211 -1.773 0.188 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.607 -1.981 1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 30 16.237 -4.092 2.331 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.474 -6.156 0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.384 -2.458 -2.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.277 -6.932 -1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 16.890 -3.875 -4.347 1.00 0.00 H new ATOM 0 HH2 TRP A 30 15.835 -6.107 -4.062 1.00 0.00 H new ATOM 429 N CYS A 31 15.127 -0.509 -1.558 1.00 0.00 N ATOM 430 CA CYS A 31 14.915 -0.007 -2.925 1.00 0.00 C ATOM 431 C CYS A 31 14.901 1.535 -2.960 1.00 0.00 C ATOM 432 O CYS A 31 14.327 2.173 -2.071 1.00 0.00 O ATOM 433 CB CYS A 31 13.622 -0.585 -3.523 1.00 0.00 C ATOM 434 SG CYS A 31 13.356 0.078 -5.203 1.00 0.00 S ATOM 0 H CYS A 31 14.334 -1.023 -1.174 1.00 0.00 H new ATOM 0 HA CYS A 31 15.752 -0.342 -3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.683 -1.673 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.774 -0.334 -2.886 1.00 0.00 H new ATOM 0 HG CYS A 31 12.853 -0.850 -5.961 1.00 0.00 H new ATOM 439 N GLY A 32 15.495 2.132 -4.006 1.00 0.00 N ATOM 440 CA GLY A 32 15.500 3.580 -4.231 1.00 0.00 C ATOM 441 C GLY A 32 14.127 4.144 -4.597 1.00 0.00 C ATOM 442 O GLY A 32 13.897 5.330 -4.361 1.00 0.00 O ATOM 0 H GLY A 32 15.992 1.611 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.861 4.078 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.205 3.813 -5.029 1.00 0.00 H new ATOM 446 N HIS A 33 13.187 3.330 -5.091 1.00 0.00 N ATOM 447 CA HIS A 33 11.785 3.744 -5.181 1.00 0.00 C ATOM 448 C HIS A 33 11.190 3.880 -3.767 1.00 0.00 C ATOM 449 O HIS A 33 10.555 4.880 -3.432 1.00 0.00 O ATOM 450 CB HIS A 33 10.952 2.709 -5.946 1.00 0.00 C ATOM 451 CG HIS A 33 11.385 2.369 -7.345 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.673 1.099 -7.790 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.278 3.171 -8.453 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.697 1.120 -9.132 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.482 2.369 -9.587 1.00 0.00 N ATOM 0 H HIS A 33 13.371 2.387 -5.432 1.00 0.00 H new ATOM 0 HA HIS A 33 11.755 4.698 -5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.942 1.788 -5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.924 3.070 -5.990 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.839 0.283 -7.202 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.073 4.231 -8.453 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.865 0.257 -9.759 1.00 0.00 H new ATOM 463 N CYS A 34 11.432 2.880 -2.913 1.00 0.00 N ATOM 464 CA CYS A 34 10.957 2.852 -1.536 1.00 0.00 C ATOM 465 C CYS A 34 11.501 3.997 -0.686 1.00 0.00 C ATOM 466 O CYS A 34 10.782 4.500 0.177 1.00 0.00 O ATOM 467 CB CYS A 34 11.342 1.508 -0.914 1.00 0.00 C ATOM 468 SG CYS A 34 10.057 0.310 -1.367 1.00 0.00 S ATOM 0 H CYS A 34 11.974 2.055 -3.169 1.00 0.00 H new ATOM 0 HA CYS A 34 9.875 2.978 -1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.316 1.182 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.420 1.595 0.170 1.00 0.00 H new ATOM 0 HG CYS A 34 9.163 0.256 -0.425 1.00 0.00 H new ATOM 473 N GLN A 35 12.741 4.440 -0.902 1.00 0.00 N ATOM 474 CA GLN A 35 13.290 5.555 -0.122 1.00 0.00 C ATOM 475 C GLN A 35 12.538 6.869 -0.378 1.00 0.00 C ATOM 476 O GLN A 35 12.533 7.759 0.471 1.00 0.00 O ATOM 477 CB GLN A 35 14.774 5.789 -0.445 1.00 0.00 C ATOM 478 CG GLN A 35 15.683 4.568 -0.283 1.00 0.00 C ATOM 479 CD GLN A 35 15.456 3.747 0.985 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.718 4.177 2.103 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.972 2.533 0.849 1.00 0.00 N ATOM 0 H GLN A 35 13.377 4.052 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 35 13.173 5.269 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.853 6.145 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.147 6.586 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.546 3.917 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.720 4.903 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.753 2.172 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.815 1.951 1.672 1.00 0.00 H new ATOM 488 N ALA A 36 11.900 6.971 -1.544 1.00 0.00 N ATOM 489 CA ALA A 36 11.088 8.114 -1.955 1.00 0.00 C ATOM 490 C ALA A 36 9.601 7.930 -1.600 1.00 0.00 C ATOM 491 O ALA A 36 8.948 8.895 -1.195 1.00 0.00 O ATOM 492 CB ALA A 36 11.284 8.318 -3.459 1.00 0.00 C ATOM 0 H ALA A 36 11.936 6.236 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 36 11.413 9.001 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.687 9.167 -3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.337 8.511 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.968 7.421 -3.992 1.00 0.00 H new ATOM 498 N ALA A 37 9.060 6.712 -1.733 1.00 0.00 N ATOM 499 CA ALA A 37 7.639 6.431 -1.506 1.00 0.00 C ATOM 500 C ALA A 37 7.297 6.247 -0.018 1.00 0.00 C ATOM 501 O ALA A 37 6.194 6.589 0.400 1.00 0.00 O ATOM 502 CB ALA A 37 7.236 5.203 -2.333 1.00 0.00 C ATOM 0 H ALA A 37 9.600 5.890 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 37 7.063 7.297 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.180 4.986 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.407 5.404 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.834 4.345 -2.026 1.00 0.00 H new ATOM 508 N GLN A 38 8.232 5.763 0.801 1.00 0.00 N ATOM 509 CA GLN A 38 8.006 5.603 2.244 1.00 0.00 C ATOM 510 C GLN A 38 7.667 6.923 2.964 1.00 0.00 C ATOM 511 O GLN A 38 6.614 6.973 3.610 1.00 0.00 O ATOM 512 CB GLN A 38 9.222 4.935 2.889 1.00 0.00 C ATOM 513 CG GLN A 38 9.233 3.411 2.691 1.00 0.00 C ATOM 514 CD GLN A 38 10.506 2.795 3.267 1.00 0.00 C ATOM 515 OE1 GLN A 38 10.501 2.116 4.287 1.00 0.00 O ATOM 516 NE2 GLN A 38 11.650 3.028 2.652 1.00 0.00 N ATOM 0 H GLN A 38 9.159 5.473 0.490 1.00 0.00 H new ATOM 0 HA GLN A 38 7.128 4.966 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.132 5.359 2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.232 5.159 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.361 2.971 3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.160 3.178 1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.667 3.592 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.518 2.644 3.026 1.00 0.00 H new ATOM 523 N PRO A 39 8.481 7.998 2.849 1.00 0.00 N ATOM 524 CA PRO A 39 8.134 9.292 3.439 1.00 0.00 C ATOM 525 C PRO A 39 6.930 9.940 2.738 1.00 0.00 C ATOM 526 O PRO A 39 6.281 10.801 3.323 1.00 0.00 O ATOM 527 CB PRO A 39 9.398 10.156 3.327 1.00 0.00 C ATOM 528 CG PRO A 39 10.097 9.584 2.097 1.00 0.00 C ATOM 529 CD PRO A 39 9.779 8.095 2.190 1.00 0.00 C ATOM 0 HA PRO A 39 7.825 9.180 4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.156 11.211 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.021 10.078 4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.716 10.022 1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.171 9.770 2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.748 7.641 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.545 7.568 2.759 1.00 0.00 H new ATOM 534 N LEU A 40 6.586 9.500 1.518 1.00 0.00 N ATOM 535 CA LEU A 40 5.395 9.960 0.802 1.00 0.00 C ATOM 536 C LEU A 40 4.155 9.473 1.538 1.00 0.00 C ATOM 537 O LEU A 40 3.345 10.294 1.975 1.00 0.00 O ATOM 538 CB LEU A 40 5.405 9.422 -0.645 1.00 0.00 C ATOM 539 CG LEU A 40 5.008 10.392 -1.760 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.758 11.208 -1.420 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.164 11.322 -2.139 1.00 0.00 C ATOM 0 H LEU A 40 7.132 8.811 1.001 1.00 0.00 H new ATOM 0 HA LEU A 40 5.389 11.049 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.408 9.054 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.734 8.564 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 40 4.765 9.771 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.525 11.878 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.918 10.534 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.940 11.794 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.843 11.996 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.463 11.905 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.010 10.728 -2.486 1.00 0.00 H new ATOM 552 N LEU A 41 4.050 8.145 1.718 1.00 0.00 N ATOM 553 CA LEU A 41 2.938 7.492 2.401 1.00 0.00 C ATOM 554 C LEU A 41 2.835 8.024 3.822 1.00 0.00 C ATOM 555 O LEU A 41 1.742 8.361 4.255 1.00 0.00 O ATOM 556 CB LEU A 41 3.076 5.949 2.396 1.00 0.00 C ATOM 557 CG LEU A 41 2.436 5.192 1.210 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.982 5.568 0.948 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.302 5.334 -0.046 1.00 0.00 C ATOM 0 H LEU A 41 4.755 7.488 1.383 1.00 0.00 H new ATOM 0 HA LEU A 41 2.021 7.725 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.138 5.704 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.638 5.567 3.318 1.00 0.00 H new ATOM 0 HG LEU A 41 2.404 4.140 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.605 4.995 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.384 5.346 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.916 6.633 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.837 4.795 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.394 6.388 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.292 4.920 0.146 1.00 0.00 H new ATOM 570 N ALA A 42 3.958 8.183 4.516 1.00 0.00 N ATOM 571 CA ALA A 42 4.004 8.745 5.866 1.00 0.00 C ATOM 572 C ALA A 42 3.401 10.163 5.959 1.00 0.00 C ATOM 573 O ALA A 42 2.698 10.470 6.927 1.00 0.00 O ATOM 574 CB ALA A 42 5.455 8.718 6.356 1.00 0.00 C ATOM 0 H ALA A 42 4.875 7.922 4.153 1.00 0.00 H new ATOM 0 HA ALA A 42 3.378 8.129 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.507 9.134 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.815 7.689 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.077 9.311 5.685 1.00 0.00 H new ATOM 580 N GLU A 43 3.630 11.014 4.954 1.00 0.00 N ATOM 581 CA GLU A 43 3.076 12.373 4.900 1.00 0.00 C ATOM 582 C GLU A 43 1.567 12.355 4.625 1.00 0.00 C ATOM 583 O GLU A 43 0.821 13.031 5.334 1.00 0.00 O ATOM 584 CB GLU A 43 3.808 13.208 3.840 1.00 0.00 C ATOM 585 CG GLU A 43 5.190 13.684 4.321 1.00 0.00 C ATOM 586 CD GLU A 43 5.092 14.861 5.304 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.829 16.004 4.856 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.300 14.666 6.524 1.00 0.00 O ATOM 0 H GLU A 43 4.209 10.778 4.148 1.00 0.00 H new ATOM 0 HA GLU A 43 3.228 12.834 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.926 12.616 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.199 14.074 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.710 12.855 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.789 13.981 3.460 1.00 0.00 H new ATOM 593 N VAL A 44 1.097 11.576 3.644 1.00 0.00 N ATOM 594 CA VAL A 44 -0.347 11.460 3.361 1.00 0.00 C ATOM 595 C VAL A 44 -1.119 10.810 4.525 1.00 0.00 C ATOM 596 O VAL A 44 -2.101 11.383 4.992 1.00 0.00 O ATOM 597 CB VAL A 44 -0.650 10.797 1.998 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.045 9.478 1.728 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.143 10.555 1.802 1.00 0.00 C ATOM 0 H VAL A 44 1.690 11.016 3.032 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.719 12.481 3.274 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.254 11.530 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.244 9.109 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.125 9.623 1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.245 8.752 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.312 10.088 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.512 9.898 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.674 11.506 1.844 1.00 0.00 H new ATOM 609 N PHE A 45 -0.657 9.662 5.039 1.00 0.00 N ATOM 610 CA PHE A 45 -1.308 8.903 6.130 1.00 0.00 C ATOM 611 C PHE A 45 -1.514 9.724 7.414 1.00 0.00 C ATOM 612 O PHE A 45 -2.430 9.431 8.180 1.00 0.00 O ATOM 613 CB PHE A 45 -0.513 7.632 6.488 1.00 0.00 C ATOM 614 CG PHE A 45 -1.057 6.340 5.914 1.00 0.00 C ATOM 615 CD1 PHE A 45 -2.247 5.804 6.443 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.341 5.615 4.933 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.705 4.553 6.009 1.00 0.00 C ATOM 618 CE2 PHE A 45 -0.798 4.354 4.527 1.00 0.00 C ATOM 619 CZ PHE A 45 -1.985 3.827 5.053 1.00 0.00 C ATOM 0 H PHE A 45 0.199 9.220 4.704 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.289 8.638 5.736 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.514 7.758 6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.477 7.540 7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.806 6.357 7.183 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.555 6.032 4.498 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.620 4.146 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.232 3.785 3.804 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.343 2.864 4.722 1.00 0.00 H new ATOM 628 N SER A 46 -0.695 10.751 7.655 1.00 0.00 N ATOM 629 CA SER A 46 -0.833 11.646 8.817 1.00 0.00 C ATOM 630 C SER A 46 -2.149 12.453 8.817 1.00 0.00 C ATOM 631 O SER A 46 -2.579 12.914 9.875 1.00 0.00 O ATOM 632 CB SER A 46 0.365 12.603 8.902 1.00 0.00 C ATOM 633 OG SER A 46 1.575 11.913 9.195 1.00 0.00 O ATOM 0 H SER A 46 0.089 10.990 7.048 1.00 0.00 H new ATOM 0 HA SER A 46 -0.859 11.001 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.471 13.137 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.178 13.351 9.672 1.00 0.00 H new ATOM 0 HG SER A 46 1.892 11.452 8.390 1.00 0.00 H new ATOM 638 N ASP A 47 -2.823 12.585 7.663 1.00 0.00 N ATOM 639 CA ASP A 47 -4.159 13.192 7.543 1.00 0.00 C ATOM 640 C ASP A 47 -5.299 12.150 7.470 1.00 0.00 C ATOM 641 O ASP A 47 -6.471 12.522 7.542 1.00 0.00 O ATOM 642 CB ASP A 47 -4.165 14.115 6.316 1.00 0.00 C ATOM 643 CG ASP A 47 -5.304 15.150 6.374 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.320 15.958 7.335 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.146 15.202 5.443 1.00 0.00 O ATOM 0 H ASP A 47 -2.447 12.267 6.770 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.356 13.766 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.208 14.633 6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.267 13.515 5.412 1.00 0.00 H new ATOM 649 N TYR A 48 -4.974 10.852 7.359 1.00 0.00 N ATOM 650 CA TYR A 48 -5.931 9.726 7.267 1.00 0.00 C ATOM 651 C TYR A 48 -5.629 8.559 8.244 1.00 0.00 C ATOM 652 O TYR A 48 -5.618 7.392 7.825 1.00 0.00 O ATOM 653 CB TYR A 48 -6.028 9.247 5.806 1.00 0.00 C ATOM 654 CG TYR A 48 -6.246 10.355 4.789 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.522 10.919 4.603 1.00 0.00 C ATOM 656 CD2 TYR A 48 -5.151 10.877 4.082 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.702 11.994 3.717 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.310 11.992 3.242 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.588 12.557 3.054 1.00 0.00 C ATOM 660 OH TYR A 48 -6.743 13.642 2.244 1.00 0.00 O ATOM 0 H TYR A 48 -4.003 10.541 7.329 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.902 10.104 7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.113 8.713 5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.847 8.532 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.368 10.523 5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.179 10.418 4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.691 12.390 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.453 12.416 2.740 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.874 13.898 1.870 1.00 0.00 H new ATOM 669 N PRO A 49 -5.382 8.819 9.549 1.00 0.00 N ATOM 670 CA PRO A 49 -4.969 7.799 10.516 1.00 0.00 C ATOM 671 C PRO A 49 -5.997 6.673 10.739 1.00 0.00 C ATOM 672 O PRO A 49 -5.621 5.632 11.277 1.00 0.00 O ATOM 673 CB PRO A 49 -4.680 8.554 11.816 1.00 0.00 C ATOM 674 CG PRO A 49 -5.574 9.788 11.715 1.00 0.00 C ATOM 675 CD PRO A 49 -5.524 10.105 10.225 1.00 0.00 C ATOM 0 HA PRO A 49 -4.095 7.272 10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.923 7.953 12.692 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.628 8.826 11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.590 9.583 12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.197 10.613 12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.431 10.618 9.904 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.687 10.763 9.993 1.00 0.00 H new ATOM 680 N GLU A 50 -7.258 6.840 10.321 1.00 0.00 N ATOM 681 CA GLU A 50 -8.273 5.777 10.367 1.00 0.00 C ATOM 682 C GLU A 50 -8.096 4.689 9.285 1.00 0.00 C ATOM 683 O GLU A 50 -8.724 3.633 9.376 1.00 0.00 O ATOM 684 CB GLU A 50 -9.691 6.365 10.344 1.00 0.00 C ATOM 685 CG GLU A 50 -10.084 7.085 9.052 1.00 0.00 C ATOM 686 CD GLU A 50 -9.758 8.585 9.094 1.00 0.00 C ATOM 687 OE1 GLU A 50 -8.559 8.930 9.012 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.691 9.411 9.234 1.00 0.00 O ATOM 0 H GLU A 50 -7.606 7.720 9.939 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.122 5.266 11.318 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.403 5.559 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.789 7.065 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.563 6.626 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.152 6.953 8.876 1.00 0.00 H new ATOM 693 N VAL A 51 -7.243 4.918 8.275 1.00 0.00 N ATOM 694 CA VAL A 51 -6.841 3.904 7.281 1.00 0.00 C ATOM 695 C VAL A 51 -5.682 3.074 7.857 1.00 0.00 C ATOM 696 O VAL A 51 -4.786 3.623 8.502 1.00 0.00 O ATOM 697 CB VAL A 51 -6.461 4.554 5.921 1.00 0.00 C ATOM 698 CG1 VAL A 51 -6.122 3.515 4.838 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.616 5.417 5.386 1.00 0.00 C ATOM 0 H VAL A 51 -6.805 5.826 8.121 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.686 3.246 7.079 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.578 5.160 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.865 4.027 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.276 2.911 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.985 2.871 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.327 5.862 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.499 4.795 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.841 6.207 6.102 1.00 0.00 H new ATOM 709 N GLY A 52 -5.687 1.759 7.629 1.00 0.00 N ATOM 710 CA GLY A 52 -4.593 0.847 8.008 1.00 0.00 C ATOM 711 C GLY A 52 -3.562 0.684 6.887 1.00 0.00 C ATOM 712 O GLY A 52 -3.882 0.887 5.720 1.00 0.00 O ATOM 0 H GLY A 52 -6.463 1.284 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.098 1.227 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.007 -0.128 8.263 1.00 0.00 H new ATOM 716 N HIS A 53 -2.325 0.295 7.215 1.00 0.00 N ATOM 717 CA HIS A 53 -1.274 0.023 6.221 1.00 0.00 C ATOM 718 C HIS A 53 -0.637 -1.367 6.432 1.00 0.00 C ATOM 719 O HIS A 53 -0.221 -1.690 7.551 1.00 0.00 O ATOM 720 CB HIS A 53 -0.190 1.115 6.285 1.00 0.00 C ATOM 721 CG HIS A 53 0.588 1.313 5.000 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.811 1.936 4.872 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.167 1.026 3.724 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.101 2.025 3.561 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.111 1.508 2.826 1.00 0.00 N ATOM 0 H HIS A 53 -2.021 0.159 8.179 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.739 0.031 5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.661 2.059 6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.510 0.866 7.083 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.395 2.271 5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.746 0.511 3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.007 2.454 3.159 1.00 0.00 H new ATOM 733 N LEU A 54 -0.528 -2.170 5.367 1.00 0.00 N ATOM 734 CA LEU A 54 0.159 -3.461 5.363 1.00 0.00 C ATOM 735 C LEU A 54 1.424 -3.361 4.500 1.00 0.00 C ATOM 736 O LEU A 54 1.372 -3.388 3.270 1.00 0.00 O ATOM 737 CB LEU A 54 -0.829 -4.546 4.882 1.00 0.00 C ATOM 738 CG LEU A 54 -0.549 -5.965 5.415 1.00 0.00 C ATOM 739 CD1 LEU A 54 -1.537 -6.941 4.762 1.00 0.00 C ATOM 740 CD2 LEU A 54 0.882 -6.464 5.178 1.00 0.00 C ATOM 0 H LEU A 54 -0.928 -1.930 4.460 1.00 0.00 H new ATOM 0 HA LEU A 54 0.487 -3.743 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.837 -4.255 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.813 -4.574 3.792 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.675 -5.917 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.350 -7.949 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.557 -6.647 5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.407 -6.920 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.989 -7.470 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.089 -6.482 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.587 -5.796 5.673 1.00 0.00 H new ATOM 751 N LYS A 55 2.579 -3.243 5.152 1.00 0.00 N ATOM 752 CA LYS A 55 3.896 -3.206 4.505 1.00 0.00 C ATOM 753 C LYS A 55 4.368 -4.622 4.133 1.00 0.00 C ATOM 754 O LYS A 55 5.009 -5.290 4.944 1.00 0.00 O ATOM 755 CB LYS A 55 4.883 -2.511 5.473 1.00 0.00 C ATOM 756 CG LYS A 55 4.955 -0.998 5.262 1.00 0.00 C ATOM 757 CD LYS A 55 5.646 -0.226 6.391 1.00 0.00 C ATOM 758 CE LYS A 55 4.887 -0.333 7.725 1.00 0.00 C ATOM 759 NZ LYS A 55 5.480 0.531 8.772 1.00 0.00 N ATOM 0 H LYS A 55 2.630 -3.169 6.168 1.00 0.00 H new ATOM 0 HA LYS A 55 3.842 -2.644 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.582 -2.716 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.877 -2.939 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.482 -0.800 4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.942 -0.613 5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.659 -0.607 6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.734 0.823 6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.844 -0.054 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.893 -1.369 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.939 0.429 9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.467 0.249 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.451 1.523 8.461 1.00 0.00 H new ATOM 769 N VAL A 56 4.116 -5.069 2.905 1.00 0.00 N ATOM 770 CA VAL A 56 4.592 -6.355 2.369 1.00 0.00 C ATOM 771 C VAL A 56 6.027 -6.220 1.887 1.00 0.00 C ATOM 772 O VAL A 56 6.308 -5.438 0.976 1.00 0.00 O ATOM 773 CB VAL A 56 3.716 -6.862 1.197 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.179 -8.251 0.718 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.223 -6.914 1.550 1.00 0.00 C ATOM 0 H VAL A 56 3.562 -4.538 2.233 1.00 0.00 H new ATOM 0 HA VAL A 56 4.529 -7.080 3.180 1.00 0.00 H new ATOM 0 HB VAL A 56 3.843 -6.138 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.546 -8.582 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.214 -8.193 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.106 -8.963 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.658 -7.277 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.072 -7.587 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.877 -5.915 1.816 1.00 0.00 H new ATOM 785 N GLU A 57 6.916 -7.014 2.478 1.00 0.00 N ATOM 786 CA GLU A 57 8.279 -7.157 1.983 1.00 0.00 C ATOM 787 C GLU A 57 8.290 -8.087 0.759 1.00 0.00 C ATOM 788 O GLU A 57 7.949 -9.268 0.858 1.00 0.00 O ATOM 789 CB GLU A 57 9.228 -7.646 3.083 1.00 0.00 C ATOM 790 CG GLU A 57 10.609 -7.077 2.785 1.00 0.00 C ATOM 791 CD GLU A 57 11.672 -7.606 3.758 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.887 -6.977 4.818 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.306 -8.646 3.465 1.00 0.00 O ATOM 0 H GLU A 57 6.713 -7.572 3.307 1.00 0.00 H new ATOM 0 HA GLU A 57 8.645 -6.178 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.881 -7.317 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.259 -8.735 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.893 -7.332 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.573 -5.989 2.844 1.00 0.00 H new ATOM 894 N GLY A 65 2.246 -8.972 -4.407 1.00 0.00 N ATOM 895 CA GLY A 65 2.042 -8.099 -5.581 1.00 0.00 C ATOM 896 C GLY A 65 1.842 -8.848 -6.903 1.00 0.00 C ATOM 897 O GLY A 65 1.195 -8.326 -7.816 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.172 -7.467 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.902 -7.437 -5.680 1.00 0.00 H new ATOM 901 N ARG A 66 2.315 -10.097 -7.001 1.00 0.00 N ATOM 902 CA ARG A 66 2.037 -10.998 -8.128 1.00 0.00 C ATOM 903 C ARG A 66 0.591 -11.500 -8.117 1.00 0.00 C ATOM 904 O ARG A 66 -0.047 -11.539 -9.166 1.00 0.00 O ATOM 905 CB ARG A 66 3.043 -12.150 -8.074 1.00 0.00 C ATOM 906 CG ARG A 66 2.947 -13.157 -9.231 1.00 0.00 C ATOM 907 CD ARG A 66 4.140 -14.107 -9.161 1.00 0.00 C ATOM 908 NE ARG A 66 4.112 -15.120 -10.229 1.00 0.00 N ATOM 909 CZ ARG A 66 5.112 -15.937 -10.548 1.00 0.00 C ATOM 910 NH1 ARG A 66 6.275 -15.889 -9.925 1.00 0.00 N ATOM 911 NH2 ARG A 66 4.949 -16.817 -11.507 1.00 0.00 N ATOM 0 H ARG A 66 2.911 -10.517 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 66 2.151 -10.456 -9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.050 -11.732 -8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.907 -12.686 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.015 -13.718 -9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.938 -12.633 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.064 -13.533 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.149 -14.605 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 66 3.252 -15.202 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.425 -15.212 -9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.023 -16.529 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.059 -16.872 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.712 -17.446 -11.757 1.00 0.00 H new ATOM 922 N SER A 67 0.024 -11.769 -6.943 1.00 0.00 N ATOM 923 CA SER A 67 -1.383 -12.153 -6.777 1.00 0.00 C ATOM 924 C SER A 67 -2.323 -10.955 -7.031 1.00 0.00 C ATOM 925 O SER A 67 -3.451 -11.146 -7.475 1.00 0.00 O ATOM 926 CB SER A 67 -1.601 -12.729 -5.371 1.00 0.00 C ATOM 927 OG SER A 67 -0.694 -13.794 -5.107 1.00 0.00 O ATOM 0 H SER A 67 0.536 -11.726 -6.062 1.00 0.00 H new ATOM 0 HA SER A 67 -1.623 -12.919 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.469 -11.942 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.626 -13.088 -5.277 1.00 0.00 H new ATOM 0 HG SER A 67 -0.852 -14.142 -4.205 1.00 0.00 H new ATOM 932 N PHE A 68 -1.850 -9.720 -6.827 1.00 0.00 N ATOM 933 CA PHE A 68 -2.503 -8.473 -7.255 1.00 0.00 C ATOM 934 C PHE A 68 -2.242 -8.112 -8.731 1.00 0.00 C ATOM 935 O PHE A 68 -2.846 -7.161 -9.224 1.00 0.00 O ATOM 936 CB PHE A 68 -2.073 -7.331 -6.326 1.00 0.00 C ATOM 937 CG PHE A 68 -2.858 -7.290 -5.037 1.00 0.00 C ATOM 938 CD1 PHE A 68 -4.085 -6.614 -4.990 1.00 0.00 C ATOM 939 CD2 PHE A 68 -2.357 -7.914 -3.884 1.00 0.00 C ATOM 940 CE1 PHE A 68 -4.829 -6.580 -3.800 1.00 0.00 C ATOM 941 CE2 PHE A 68 -3.081 -7.868 -2.678 1.00 0.00 C ATOM 942 CZ PHE A 68 -4.321 -7.198 -2.647 1.00 0.00 C ATOM 0 H PHE A 68 -0.969 -9.553 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.579 -8.631 -7.182 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.013 -7.437 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.192 -6.381 -6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.460 -6.117 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.410 -8.432 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.787 -6.081 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.692 -8.340 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.885 -7.160 -1.727 1.00 0.00 H new ATOM 951 N GLN A 69 -1.359 -8.833 -9.427 1.00 0.00 N ATOM 952 CA GLN A 69 -1.024 -8.644 -10.849 1.00 0.00 C ATOM 953 C GLN A 69 -0.373 -7.268 -11.114 1.00 0.00 C ATOM 954 O GLN A 69 -0.663 -6.622 -12.120 1.00 0.00 O ATOM 955 CB GLN A 69 -2.242 -8.899 -11.770 1.00 0.00 C ATOM 956 CG GLN A 69 -3.013 -10.209 -11.522 1.00 0.00 C ATOM 957 CD GLN A 69 -4.431 -9.929 -11.016 1.00 0.00 C ATOM 958 OE1 GLN A 69 -5.339 -9.616 -11.780 1.00 0.00 O ATOM 959 NE2 GLN A 69 -4.675 -9.995 -9.727 1.00 0.00 N ATOM 0 H GLN A 69 -0.834 -9.597 -9.001 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.277 -9.397 -11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.936 -8.066 -11.660 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.898 -8.893 -12.804 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.061 -10.786 -12.445 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.477 -10.817 -10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.930 -10.254 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.609 -9.788 -9.373 1.00 0.00 H new ATOM 966 N VAL A 70 0.449 -6.778 -10.177 1.00 0.00 N ATOM 967 CA VAL A 70 1.023 -5.419 -10.176 1.00 0.00 C ATOM 968 C VAL A 70 1.872 -5.144 -11.430 1.00 0.00 C ATOM 969 O VAL A 70 2.734 -5.939 -11.804 1.00 0.00 O ATOM 970 CB VAL A 70 1.830 -5.190 -8.878 1.00 0.00 C ATOM 971 CG1 VAL A 70 2.723 -3.940 -8.924 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.879 -5.056 -7.682 1.00 0.00 C ATOM 0 H VAL A 70 0.744 -7.331 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 70 0.200 -4.705 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 70 2.479 -6.060 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.260 -3.841 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.439 -4.034 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.105 -3.057 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.458 -4.895 -6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.211 -4.210 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.291 -5.968 -7.581 1.00 0.00 H new ATOM 982 N LYS A 71 1.628 -3.993 -12.068 1.00 0.00 N ATOM 983 CA LYS A 71 2.224 -3.613 -13.363 1.00 0.00 C ATOM 984 C LYS A 71 3.706 -3.196 -13.287 1.00 0.00 C ATOM 985 O LYS A 71 4.520 -3.666 -14.092 1.00 0.00 O ATOM 986 CB LYS A 71 1.362 -2.499 -14.001 1.00 0.00 C ATOM 987 CG LYS A 71 0.848 -2.839 -15.415 1.00 0.00 C ATOM 988 CD LYS A 71 -0.500 -3.593 -15.448 1.00 0.00 C ATOM 989 CE LYS A 71 -0.437 -4.950 -14.735 1.00 0.00 C ATOM 990 NZ LYS A 71 -1.754 -5.627 -14.711 1.00 0.00 N ATOM 0 H LYS A 71 0.999 -3.283 -11.694 1.00 0.00 H new ATOM 0 HA LYS A 71 2.224 -4.505 -13.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.509 -2.298 -13.353 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.949 -1.582 -14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.745 -1.914 -15.982 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.599 -3.443 -15.924 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.268 -2.977 -14.980 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.801 -3.745 -16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.290 -5.589 -15.236 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.085 -4.807 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.844 -6.180 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.511 -4.915 -14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.833 -6.262 -15.531 1.00 0.00 H new ATOM 1000 N LEU A 72 4.044 -2.313 -12.341 1.00 0.00 N ATOM 1001 CA LEU A 72 5.414 -1.866 -12.047 1.00 0.00 C ATOM 1002 C LEU A 72 5.958 -2.700 -10.863 1.00 0.00 C ATOM 1003 O LEU A 72 5.829 -3.923 -10.883 1.00 0.00 O ATOM 1004 CB LEU A 72 5.382 -0.328 -11.827 1.00 0.00 C ATOM 1005 CG LEU A 72 6.739 0.407 -11.930 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.302 0.380 -13.358 1.00 0.00 C ATOM 1007 CD2 LEU A 72 6.563 1.871 -11.505 1.00 0.00 C ATOM 0 H LEU A 72 3.349 -1.874 -11.737 1.00 0.00 H new ATOM 0 HA LEU A 72 6.111 -2.036 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.700 0.108 -12.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.961 -0.132 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 72 7.439 -0.109 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.255 0.908 -13.383 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.451 -0.653 -13.671 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.600 0.867 -14.035 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.520 2.388 -11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.838 2.355 -12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.206 1.911 -10.476 1.00 0.00 H new ATOM 1018 N TRP A 73 6.527 -2.073 -9.832 1.00 0.00 N ATOM 1019 CA TRP A 73 6.828 -2.702 -8.543 1.00 0.00 C ATOM 1020 C TRP A 73 6.512 -1.813 -7.319 1.00 0.00 C ATOM 1021 O TRP A 73 5.839 -2.323 -6.418 1.00 0.00 O ATOM 1022 CB TRP A 73 8.287 -3.155 -8.527 1.00 0.00 C ATOM 1023 CG TRP A 73 8.677 -3.939 -7.320 1.00 0.00 C ATOM 1024 CD1 TRP A 73 8.382 -5.236 -7.087 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.396 -3.473 -6.139 1.00 0.00 C ATOM 1026 NE1 TRP A 73 8.895 -5.614 -5.863 1.00 0.00 N ATOM 1027 CE2 TRP A 73 9.567 -4.580 -5.251 1.00 0.00 C ATOM 1028 CE3 TRP A 73 9.917 -2.229 -5.733 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.286 -4.472 -4.053 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.604 -2.101 -4.513 1.00 0.00 C ATOM 1031 CH2 TRP A 73 10.815 -3.221 -3.694 1.00 0.00 C ATOM 0 H TRP A 73 6.798 -1.090 -9.870 1.00 0.00 H new ATOM 0 HA TRP A 73 6.165 -3.562 -8.449 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.477 -3.759 -9.414 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.928 -2.276 -8.597 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.829 -5.879 -7.756 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.789 -6.545 -5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.787 -1.364 -6.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.431 -5.334 -3.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.972 -1.134 -4.204 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.387 -3.121 -2.783 1.00 0.00 H new ATOM 1041 N PRO A 74 6.918 -0.519 -7.255 1.00 0.00 N ATOM 1042 CA PRO A 74 6.512 0.356 -6.161 1.00 0.00 C ATOM 1043 C PRO A 74 5.037 0.726 -6.352 1.00 0.00 C ATOM 1044 O PRO A 74 4.679 1.571 -7.184 1.00 0.00 O ATOM 1045 CB PRO A 74 7.441 1.570 -6.210 1.00 0.00 C ATOM 1046 CG PRO A 74 7.765 1.683 -7.698 1.00 0.00 C ATOM 1047 CD PRO A 74 7.805 0.224 -8.147 1.00 0.00 C ATOM 0 HA PRO A 74 6.595 -0.114 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.954 2.469 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.338 1.418 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.006 2.251 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.718 2.185 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.479 0.130 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.821 -0.168 -8.096 1.00 0.00 H new ATOM 1052 N THR A 75 4.170 0.034 -5.616 1.00 0.00 N ATOM 1053 CA THR A 75 2.720 0.031 -5.816 1.00 0.00 C ATOM 1054 C THR A 75 2.048 -0.317 -4.503 1.00 0.00 C ATOM 1055 O THR A 75 2.553 -1.128 -3.723 1.00 0.00 O ATOM 1056 CB THR A 75 2.331 -0.979 -6.909 1.00 0.00 C ATOM 1057 OG1 THR A 75 2.849 -0.530 -8.138 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.818 -1.158 -7.083 1.00 0.00 C ATOM 0 H THR A 75 4.465 -0.559 -4.840 1.00 0.00 H new ATOM 0 HA THR A 75 2.392 1.018 -6.142 1.00 0.00 H new ATOM 0 HB THR A 75 2.740 -1.941 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.336 -1.260 -8.574 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.626 -1.886 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.384 -1.513 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.367 -0.203 -7.353 1.00 0.00 H new ATOM 1066 N PHE A 76 0.884 0.286 -4.284 1.00 0.00 N ATOM 1067 CA PHE A 76 0.055 0.049 -3.114 1.00 0.00 C ATOM 1068 C PHE A 76 -1.430 0.029 -3.513 1.00 0.00 C ATOM 1069 O PHE A 76 -1.919 0.912 -4.222 1.00 0.00 O ATOM 1070 CB PHE A 76 0.381 1.073 -2.011 1.00 0.00 C ATOM 1071 CG PHE A 76 0.869 2.416 -2.488 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.228 2.605 -2.818 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.046 3.471 -2.605 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.656 3.837 -3.336 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.405 4.717 -3.055 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.736 4.888 -3.462 1.00 0.00 C ATOM 0 H PHE A 76 0.485 0.967 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 76 0.276 -0.933 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.514 1.226 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.139 0.644 -1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.937 1.803 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.085 3.324 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.685 3.975 -3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.277 5.553 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.054 5.834 -3.875 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.119 -1.028 -3.077 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.503 -1.371 -3.436 1.00 0.00 C ATOM 1087 C VAL A 77 -4.422 -1.074 -2.254 1.00 0.00 C ATOM 1088 O VAL A 77 -4.213 -1.589 -1.156 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.629 -2.847 -3.879 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -5.047 -3.119 -4.399 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.641 -3.177 -5.012 1.00 0.00 C ATOM 0 H VAL A 77 -1.709 -1.703 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.802 -0.759 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.408 -3.467 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.127 -4.161 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.769 -2.919 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.253 -2.470 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.754 -4.222 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.846 -2.539 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.621 -3.005 -4.667 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.414 -0.211 -2.475 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.389 0.212 -1.467 1.00 0.00 C ATOM 1103 C PHE A 78 -7.514 -0.830 -1.391 1.00 0.00 C ATOM 1104 O PHE A 78 -8.219 -1.066 -2.378 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.933 1.623 -1.782 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.908 2.755 -1.718 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.970 2.906 -2.759 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.842 3.626 -0.609 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.967 3.882 -2.690 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.851 4.627 -0.549 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.919 4.752 -1.595 1.00 0.00 C ATOM 0 H PHE A 78 -5.566 0.225 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.904 0.274 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.371 1.610 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.739 1.847 -1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.025 2.260 -3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.554 3.525 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.234 3.963 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.808 5.296 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.163 5.522 -1.553 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.664 -1.471 -0.230 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.703 -2.454 0.065 1.00 0.00 C ATOM 1122 C LEU A 79 -9.747 -1.864 1.020 1.00 0.00 C ATOM 1123 O LEU A 79 -9.466 -0.960 1.811 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.114 -3.753 0.659 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.575 -4.750 -0.375 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.416 -4.179 -1.186 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.152 -6.038 0.332 1.00 0.00 C ATOM 0 H LEU A 79 -7.039 -1.312 0.560 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.185 -2.709 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.307 -3.489 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.885 -4.247 1.251 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.376 -4.963 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.072 -4.924 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.749 -3.289 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.598 -3.915 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.769 -6.747 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.373 -5.814 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.012 -6.473 0.842 1.00 0.00 H new ATOM 1138 N ARG A 80 -10.946 -2.444 0.960 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.112 -2.147 1.794 1.00 0.00 C ATOM 1140 C ARG A 80 -13.128 -3.286 1.628 1.00 0.00 C ATOM 1141 O ARG A 80 -13.367 -3.738 0.514 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.696 -0.789 1.372 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.806 -0.285 2.299 1.00 0.00 C ATOM 1144 CD ARG A 80 -14.456 0.992 1.731 1.00 0.00 C ATOM 1145 NE ARG A 80 -13.712 2.224 2.076 1.00 0.00 N ATOM 1146 CZ ARG A 80 -13.996 3.071 3.063 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -14.941 2.833 3.950 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -13.325 4.194 3.171 1.00 0.00 N ATOM 0 H ARG A 80 -11.142 -3.182 0.284 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.841 -2.079 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.894 -0.051 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.089 -0.871 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.563 -1.060 2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.395 -0.081 3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.523 0.907 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.475 1.072 2.108 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.900 2.446 1.500 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.487 1.973 3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.127 3.509 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -12.589 4.415 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.540 4.846 3.926 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.668 -3.804 2.734 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.554 -4.986 2.774 1.00 0.00 C ATOM 1161 C ASP A 81 -13.850 -6.278 2.277 1.00 0.00 C ATOM 1162 O ASP A 81 -14.498 -7.237 1.844 1.00 0.00 O ATOM 1163 CB ASP A 81 -15.882 -4.686 2.039 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.008 -5.685 2.375 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.235 -5.972 3.577 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -17.709 -6.137 1.436 1.00 0.00 O ATOM 0 H ASP A 81 -13.500 -3.406 3.658 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.801 -5.191 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.211 -3.679 2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.704 -4.699 0.964 1.00 0.00 H new ATOM 1170 N GLY A 82 -12.506 -6.283 2.303 1.00 0.00 N ATOM 1171 CA GLY A 82 -11.630 -7.374 1.840 1.00 0.00 C ATOM 1172 C GLY A 82 -11.343 -7.366 0.332 1.00 0.00 C ATOM 1173 O GLY A 82 -10.450 -8.091 -0.110 1.00 0.00 O ATOM 0 H GLY A 82 -11.976 -5.490 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.683 -7.315 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.088 -8.327 2.104 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.057 -6.539 -0.444 1.00 0.00 N ATOM 1178 CA ARG A 83 -11.882 -6.351 -1.884 1.00 0.00 C ATOM 1179 C ARG A 83 -11.000 -5.129 -2.154 1.00 0.00 C ATOM 1180 O ARG A 83 -10.997 -4.166 -1.388 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.265 -6.174 -2.546 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.280 -6.674 -4.001 1.00 0.00 C ATOM 1183 CD ARG A 83 -14.423 -6.062 -4.821 1.00 0.00 C ATOM 1184 NE ARG A 83 -14.107 -4.670 -5.170 1.00 0.00 N ATOM 1185 CZ ARG A 83 -14.901 -3.754 -5.694 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -16.170 -3.984 -5.964 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -14.391 -2.571 -5.941 1.00 0.00 N ATOM 0 H ARG A 83 -12.805 -5.959 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.391 -7.227 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.014 -6.716 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.545 -5.121 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.328 -6.433 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.373 -7.760 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.582 -6.645 -5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.351 -6.100 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.149 -4.372 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.575 -4.899 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.747 -3.247 -6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.411 -2.384 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.974 -1.839 -6.346 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.294 -5.130 -3.273 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.659 -3.932 -3.837 1.00 0.00 C ATOM 1200 C GLU A 84 -10.729 -2.909 -4.251 1.00 0.00 C ATOM 1201 O GLU A 84 -11.663 -3.239 -4.985 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.748 -4.329 -5.018 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.241 -3.141 -5.846 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.250 -3.545 -6.950 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.927 -4.744 -7.113 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.775 -2.647 -7.680 1.00 0.00 O ATOM 0 H GLU A 84 -10.139 -5.971 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.033 -3.458 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.891 -4.881 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.295 -5.007 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.093 -2.634 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.760 -2.423 -5.181 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.568 -1.659 -3.803 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.355 -0.495 -4.260 1.00 0.00 C ATOM 1213 C VAL A 85 -10.581 0.387 -5.245 1.00 0.00 C ATOM 1214 O VAL A 85 -11.203 1.058 -6.067 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.868 0.358 -3.075 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.992 -0.403 -2.366 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.781 0.732 -2.046 1.00 0.00 C ATOM 0 H VAL A 85 -9.873 -1.417 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.215 -0.908 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.220 1.298 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.361 0.190 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.806 -0.586 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.610 -1.355 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.224 1.329 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.352 -0.177 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.997 1.308 -2.538 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.246 0.353 -5.196 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.339 1.114 -6.065 1.00 0.00 C ATOM 1229 C ALA A 86 -6.890 0.663 -5.868 1.00 0.00 C ATOM 1230 O ALA A 86 -6.604 -0.158 -5.003 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.440 2.600 -5.705 1.00 0.00 C ATOM 0 H ALA A 86 -8.746 -0.228 -4.523 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.625 0.944 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.770 3.176 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.465 2.941 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.157 2.742 -4.662 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.966 1.294 -6.589 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.532 1.228 -6.319 1.00 0.00 C ATOM 1239 C ARG A 87 -3.809 2.455 -6.873 1.00 0.00 C ATOM 1240 O ARG A 87 -4.299 3.109 -7.802 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.946 -0.086 -6.845 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.987 -0.227 -8.370 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.262 -1.510 -8.753 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.083 -2.716 -8.522 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.727 -3.963 -8.794 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.563 -4.270 -9.323 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.545 -4.942 -8.526 1.00 0.00 N ATOM 0 H ARG A 87 -6.198 1.877 -7.393 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.379 1.240 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.912 -0.168 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.492 -0.918 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.019 -0.255 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.513 0.633 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.979 -1.463 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.339 -1.587 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.008 -2.576 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.892 -3.534 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.331 -5.245 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.455 -4.747 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.275 -5.903 -8.734 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.638 2.742 -6.318 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.719 3.777 -6.816 1.00 0.00 C ATOM 1260 C VAL A 88 -0.392 3.108 -7.183 1.00 0.00 C ATOM 1261 O VAL A 88 0.186 2.381 -6.374 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.522 4.886 -5.759 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.376 5.857 -6.101 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.783 5.722 -5.504 1.00 0.00 C ATOM 0 H VAL A 88 -2.287 2.256 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.137 4.255 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.271 4.328 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.292 6.611 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.560 5.304 -6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.584 6.345 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.570 6.481 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.092 6.207 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.584 5.073 -5.149 1.00 0.00 H new ATOM 1274 N VAL A 89 0.063 3.355 -8.412 1.00 0.00 N ATOM 1275 CA VAL A 89 1.341 2.892 -8.977 1.00 0.00 C ATOM 1276 C VAL A 89 2.235 4.121 -9.173 1.00 0.00 C ATOM 1277 O VAL A 89 1.785 5.114 -9.744 1.00 0.00 O ATOM 1278 CB VAL A 89 1.124 2.172 -10.335 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.452 1.747 -10.983 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.213 0.939 -10.206 1.00 0.00 C ATOM 0 H VAL A 89 -0.473 3.911 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 89 1.806 2.177 -8.299 1.00 0.00 H new ATOM 0 HB VAL A 89 0.633 2.905 -10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.251 1.247 -11.931 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.068 2.628 -11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.979 1.064 -10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.093 0.471 -11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.662 0.226 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.762 1.245 -9.828 1.00 0.00 H new ATOM 1290 N ARG A 90 3.495 4.049 -8.723 1.00 0.00 N ATOM 1291 CA ARG A 90 4.534 5.070 -8.949 1.00 0.00 C ATOM 1292 C ARG A 90 4.112 6.481 -8.443 1.00 0.00 C ATOM 1293 O ARG A 90 3.729 7.322 -9.267 1.00 0.00 O ATOM 1294 CB ARG A 90 4.930 5.073 -10.439 1.00 0.00 C ATOM 1295 CG ARG A 90 6.257 5.804 -10.681 1.00 0.00 C ATOM 1296 CD ARG A 90 6.564 5.896 -12.182 1.00 0.00 C ATOM 1297 NE ARG A 90 7.803 6.662 -12.422 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.148 7.261 -13.558 1.00 0.00 C ATOM 1299 NH1 ARG A 90 7.398 7.198 -14.639 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.272 7.942 -13.625 1.00 0.00 N ATOM 0 H ARG A 90 3.832 3.257 -8.176 1.00 0.00 H new ATOM 0 HA ARG A 90 5.409 4.808 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.012 4.046 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.142 5.550 -11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.209 6.805 -10.253 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.065 5.278 -10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.665 4.894 -12.598 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.731 6.373 -12.699 1.00 0.00 H new ATOM 0 HE ARG A 90 8.456 6.739 -11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.521 6.677 -14.622 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.694 7.670 -15.493 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.877 8.010 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.538 8.402 -14.495 1.00 0.00 H new ATOM 1311 N PRO A 91 4.148 6.765 -7.121 1.00 0.00 N ATOM 1312 CA PRO A 91 3.748 8.063 -6.573 1.00 0.00 C ATOM 1313 C PRO A 91 4.664 9.186 -7.090 1.00 0.00 C ATOM 1314 O PRO A 91 5.884 9.124 -6.922 1.00 0.00 O ATOM 1315 CB PRO A 91 3.831 7.926 -5.051 1.00 0.00 C ATOM 1316 CG PRO A 91 4.795 6.761 -4.828 1.00 0.00 C ATOM 1317 CD PRO A 91 4.564 5.867 -6.051 1.00 0.00 C ATOM 0 HA PRO A 91 2.739 8.332 -6.884 1.00 0.00 H new ATOM 0 HB2 PRO A 91 4.200 8.842 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.853 7.721 -4.616 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.829 7.101 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.579 6.234 -3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.473 5.330 -6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.799 5.117 -5.849 1.00 0.00 H new ATOM 1322 N GLY A 92 4.068 10.215 -7.708 1.00 0.00 N ATOM 1323 CA GLY A 92 4.814 11.358 -8.272 1.00 0.00 C ATOM 1324 C GLY A 92 5.079 12.480 -7.261 1.00 0.00 C ATOM 1325 O GLY A 92 6.111 13.143 -7.332 1.00 0.00 O ATOM 0 H GLY A 92 3.058 10.282 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.767 11.001 -8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.255 11.765 -9.115 1.00 0.00 H new ATOM 1329 N SER A 93 4.161 12.679 -6.315 1.00 0.00 N ATOM 1330 CA SER A 93 4.195 13.684 -5.236 1.00 0.00 C ATOM 1331 C SER A 93 2.989 13.475 -4.303 1.00 0.00 C ATOM 1332 O SER A 93 2.013 12.808 -4.676 1.00 0.00 O ATOM 1333 CB SER A 93 4.194 15.125 -5.782 1.00 0.00 C ATOM 1334 OG SER A 93 4.479 16.052 -4.747 1.00 0.00 O ATOM 0 H SER A 93 3.316 12.109 -6.273 1.00 0.00 H new ATOM 0 HA SER A 93 5.125 13.548 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.935 15.219 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.223 15.352 -6.223 1.00 0.00 H new ATOM 0 HG SER A 93 4.476 16.961 -5.112 1.00 0.00 H new ATOM 1339 N ALA A 94 3.012 14.079 -3.108 1.00 0.00 N ATOM 1340 CA ALA A 94 1.914 14.015 -2.143 1.00 0.00 C ATOM 1341 C ALA A 94 0.586 14.492 -2.750 1.00 0.00 C ATOM 1342 O ALA A 94 -0.448 13.906 -2.466 1.00 0.00 O ATOM 1343 CB ALA A 94 2.309 14.821 -0.903 1.00 0.00 C ATOM 0 H ALA A 94 3.805 14.632 -2.783 1.00 0.00 H new ATOM 0 HA ALA A 94 1.744 12.978 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.501 14.784 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.213 14.397 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.495 15.857 -1.186 1.00 0.00 H new ATOM 1349 N SER A 95 0.597 15.441 -3.687 1.00 0.00 N ATOM 1350 CA SER A 95 -0.609 15.870 -4.406 1.00 0.00 C ATOM 1351 C SER A 95 -1.300 14.744 -5.205 1.00 0.00 C ATOM 1352 O SER A 95 -2.518 14.776 -5.373 1.00 0.00 O ATOM 1353 CB SER A 95 -0.246 17.031 -5.346 1.00 0.00 C ATOM 1354 OG SER A 95 0.804 16.670 -6.233 1.00 0.00 O ATOM 0 H SER A 95 1.442 15.936 -3.971 1.00 0.00 H new ATOM 0 HA SER A 95 -1.330 16.185 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.125 17.325 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.055 17.898 -4.757 1.00 0.00 H new ATOM 0 HG SER A 95 1.012 17.427 -6.819 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.557 13.719 -5.648 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.080 12.527 -6.341 1.00 0.00 C ATOM 1361 C VAL A 96 -1.509 11.459 -5.329 1.00 0.00 C ATOM 1362 O VAL A 96 -2.567 10.846 -5.482 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.012 11.946 -7.307 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.541 10.732 -8.084 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.484 12.996 -8.314 1.00 0.00 C ATOM 0 H VAL A 96 0.456 13.694 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.952 12.827 -6.922 1.00 0.00 H new ATOM 0 HB VAL A 96 0.820 11.634 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.238 10.357 -8.748 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.828 9.948 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.409 11.027 -8.674 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.230 12.547 -8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.356 13.354 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.930 13.833 -7.777 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.707 11.237 -4.282 1.00 0.00 N ATOM 1376 CA LEU A 97 -0.987 10.224 -3.266 1.00 0.00 C ATOM 1377 C LEU A 97 -2.179 10.615 -2.378 1.00 0.00 C ATOM 1378 O LEU A 97 -3.120 9.837 -2.256 1.00 0.00 O ATOM 1379 CB LEU A 97 0.301 9.945 -2.462 1.00 0.00 C ATOM 1380 CG LEU A 97 0.646 8.441 -2.435 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.963 8.177 -1.721 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.499 7.677 -1.781 1.00 0.00 C ATOM 0 H LEU A 97 0.155 11.757 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.290 9.297 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.130 10.500 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.178 10.308 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 97 0.773 8.092 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.170 7.107 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.767 8.703 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.897 8.531 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.261 6.614 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.642 8.038 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.414 7.832 -2.353 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.190 11.839 -1.843 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.312 12.404 -1.093 1.00 0.00 C ATOM 1395 C GLU A 98 -4.631 12.372 -1.886 1.00 0.00 C ATOM 1396 O GLU A 98 -5.652 11.977 -1.330 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.017 13.850 -0.658 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.883 13.987 0.373 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.724 15.459 0.798 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -0.997 16.222 0.121 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -2.328 15.858 1.820 1.00 0.00 O ATOM 0 H GLU A 98 -1.399 12.479 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.432 11.774 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.762 14.437 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.926 14.283 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.099 13.370 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.949 13.621 -0.053 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.611 12.718 -3.182 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.788 12.691 -4.067 1.00 0.00 C ATOM 1408 C GLU A 99 -6.446 11.306 -4.135 1.00 0.00 C ATOM 1409 O GLU A 99 -7.675 11.198 -4.143 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.362 13.150 -5.468 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.417 12.908 -6.559 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.119 13.718 -7.829 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.571 14.882 -7.926 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.447 13.191 -8.749 1.00 0.00 O ATOM 0 H GLU A 99 -3.762 13.030 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.537 13.367 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.129 14.214 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.444 12.631 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.450 11.846 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.402 13.178 -6.178 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.649 10.237 -4.155 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.173 8.881 -4.072 1.00 0.00 C ATOM 1421 C ALA A 100 -6.625 8.525 -2.646 1.00 0.00 C ATOM 1422 O ALA A 100 -7.664 7.899 -2.476 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.102 7.930 -4.596 1.00 0.00 C ATOM 0 H ALA A 100 -4.633 10.289 -4.229 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.069 8.792 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.469 6.905 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.868 8.180 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.203 8.024 -3.987 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.914 8.965 -1.607 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.274 8.647 -0.224 1.00 0.00 C ATOM 1431 C PHE A 101 -7.649 9.218 0.130 1.00 0.00 C ATOM 1432 O PHE A 101 -8.511 8.470 0.595 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.218 9.164 0.744 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.235 8.106 1.197 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.275 7.575 0.308 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.282 7.644 2.528 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.358 6.626 0.769 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.356 6.690 2.979 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.391 6.187 2.095 1.00 0.00 C ATOM 0 H PHE A 101 -5.081 9.546 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.322 7.562 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.669 9.977 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.715 9.584 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.249 7.900 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.033 8.025 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.616 6.228 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.387 6.345 4.002 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.672 5.459 2.440 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.889 10.507 -0.142 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.201 11.118 0.090 1.00 0.00 C ATOM 1450 C GLU A 102 -10.305 10.446 -0.737 1.00 0.00 C ATOM 1451 O GLU A 102 -11.423 10.243 -0.262 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.210 12.639 -0.133 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.539 13.188 -1.388 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.281 14.398 -1.975 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -9.328 15.461 -1.309 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -9.807 14.308 -3.108 1.00 0.00 O ATOM 0 H GLU A 102 -7.191 11.146 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.414 10.949 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.249 12.968 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.734 13.105 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.514 13.475 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.484 12.401 -2.140 1.00 0.00 H new ATOM 1461 N SER A 103 -9.981 10.018 -1.951 1.00 0.00 N ATOM 1462 CA SER A 103 -10.915 9.334 -2.844 1.00 0.00 C ATOM 1463 C SER A 103 -11.323 7.934 -2.344 1.00 0.00 C ATOM 1464 O SER A 103 -12.427 7.475 -2.655 1.00 0.00 O ATOM 1465 CB SER A 103 -10.286 9.242 -4.235 1.00 0.00 C ATOM 1466 OG SER A 103 -10.218 10.515 -4.860 1.00 0.00 O ATOM 0 H SER A 103 -9.050 10.137 -2.351 1.00 0.00 H new ATOM 0 HA SER A 103 -11.834 9.920 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.284 8.821 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.870 8.562 -4.855 1.00 0.00 H new ATOM 0 HG SER A 103 -9.392 10.968 -4.590 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.478 7.259 -1.538 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.749 5.920 -0.991 1.00 0.00 C ATOM 1473 C LEU A 104 -11.124 5.942 0.496 1.00 0.00 C ATOM 1474 O LEU A 104 -11.768 5.002 0.960 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.551 4.992 -1.259 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.430 4.451 -2.704 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.790 3.999 -3.267 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.770 5.412 -3.698 1.00 0.00 C ATOM 0 H LEU A 104 -9.576 7.637 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.625 5.528 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.636 5.531 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.613 4.144 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.764 3.594 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.658 3.627 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.198 3.206 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.479 4.844 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.730 4.946 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.352 6.332 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.758 5.643 -3.364 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.781 6.999 1.232 1.00 0.00 N ATOM 1490 CA VAL A 105 -11.258 7.230 2.604 1.00 0.00 C ATOM 1491 C VAL A 105 -12.731 7.688 2.618 1.00 0.00 C ATOM 1492 O VAL A 105 -13.430 7.472 3.609 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.337 8.229 3.354 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.796 9.685 3.238 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -10.208 7.874 4.831 1.00 0.00 C ATOM 0 H VAL A 105 -10.157 7.730 0.892 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.213 6.281 3.138 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.368 8.140 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.107 10.328 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.811 9.979 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.797 9.785 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.556 8.596 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.193 7.897 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.783 6.875 4.929 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.192 8.305 1.514 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.550 8.840 1.343 1.00 0.00 C ATOM 1507 C GLY A 106 -14.667 10.361 1.533 1.00 0.00 C ATOM 1508 O GLY A 106 -15.782 10.870 1.639 1.00 0.00 O ATOM 0 H GLY A 106 -12.607 8.448 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.904 8.583 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.213 8.346 2.053 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.542 11.090 1.573 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.484 12.549 1.726 1.00 0.00 C ATOM 1514 C GLU A 107 -13.376 13.295 0.376 1.00 0.00 C ATOM 1515 O GLU A 107 -13.585 14.512 0.340 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.277 12.905 2.617 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.543 12.684 4.112 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.495 13.741 4.700 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -13.052 14.883 4.976 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.695 13.431 4.899 1.00 0.00 O ATOM 0 H GLU A 107 -12.618 10.665 1.497 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.419 12.871 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.420 12.303 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.008 13.948 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.970 11.692 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.598 12.708 4.654 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.061 12.596 -0.722 1.00 0.00 N ATOM 1526 CA GLY A 108 -12.861 13.188 -2.051 1.00 0.00 C ATOM 1527 C GLY A 108 -14.166 13.666 -2.700 1.00 0.00 C ATOM 1528 O GLY A 108 -15.226 13.076 -2.513 1.00 0.00 O ATOM 0 H GLY A 108 -12.936 11.584 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.174 14.030 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.387 12.453 -2.702 1.00 0.00 H new