USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 Single : A 1 GLY N :NH3+ -122:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00176 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -131:sc= -1.01 (180deg=-3.28!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -159:sc= 0.0146 USER MOD Single : A 36 LYS NZ :NH3+ -108:sc= -0.183 (180deg=-0.351) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.31!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.0042) USER MOD Single : A 48 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.015) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0492 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 38:sc= 0.466 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.392 -18.509 -13.040 1.00 0.00 N ATOM 2 CA GLY A 1 15.645 -17.903 -11.954 1.00 0.00 C ATOM 3 C GLY A 1 14.151 -17.896 -12.210 1.00 0.00 C ATOM 4 O GLY A 1 13.692 -18.350 -13.258 1.00 0.00 O ATOM 0 H1 GLY A 1 16.947 -19.309 -12.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.732 -18.849 -13.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.033 -17.804 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.850 -18.444 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.990 -16.880 -11.807 1.00 0.00 H new ATOM 8 N SER A 2 13.390 -17.380 -11.250 1.00 0.00 N ATOM 9 CA SER A 2 11.938 -17.321 -11.375 1.00 0.00 C ATOM 10 C SER A 2 11.523 -16.265 -12.395 1.00 0.00 C ATOM 11 O SER A 2 11.207 -15.131 -12.037 1.00 0.00 O ATOM 12 CB SER A 2 11.301 -17.015 -10.018 1.00 0.00 C ATOM 13 OG SER A 2 9.925 -16.705 -10.160 1.00 0.00 O ATOM 0 H SER A 2 13.754 -16.997 -10.378 1.00 0.00 H new ATOM 0 HA SER A 2 11.587 -18.293 -11.722 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.417 -17.873 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.819 -16.178 -9.550 1.00 0.00 H new ATOM 0 HG SER A 2 9.540 -16.515 -9.279 1.00 0.00 H new ATOM 19 N SER A 3 11.527 -16.647 -13.668 1.00 0.00 N ATOM 20 CA SER A 3 11.155 -15.733 -14.741 1.00 0.00 C ATOM 21 C SER A 3 9.638 -15.603 -14.843 1.00 0.00 C ATOM 22 O SER A 3 8.903 -16.554 -14.581 1.00 0.00 O ATOM 23 CB SER A 3 11.726 -16.219 -16.075 1.00 0.00 C ATOM 24 OG SER A 3 11.721 -15.182 -17.040 1.00 0.00 O ATOM 0 H SER A 3 11.784 -17.583 -13.981 1.00 0.00 H new ATOM 0 HA SER A 3 11.572 -14.753 -14.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.744 -16.579 -15.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.139 -17.062 -16.440 1.00 0.00 H new ATOM 0 HG SER A 3 12.092 -15.518 -17.883 1.00 0.00 H new ATOM 30 N GLY A 4 9.176 -14.416 -15.225 1.00 0.00 N ATOM 31 CA GLY A 4 7.750 -14.181 -15.354 1.00 0.00 C ATOM 32 C GLY A 4 7.371 -12.742 -15.065 1.00 0.00 C ATOM 33 O GLY A 4 6.996 -11.998 -15.971 1.00 0.00 O ATOM 0 H GLY A 4 9.764 -13.613 -15.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.432 -14.442 -16.363 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.213 -14.839 -14.671 1.00 0.00 H new ATOM 37 N SER A 5 7.466 -12.350 -13.799 1.00 0.00 N ATOM 38 CA SER A 5 7.125 -10.992 -13.392 1.00 0.00 C ATOM 39 C SER A 5 7.530 -10.741 -11.942 1.00 0.00 C ATOM 40 O SER A 5 7.602 -11.669 -11.137 1.00 0.00 O ATOM 41 CB SER A 5 5.625 -10.747 -13.564 1.00 0.00 C ATOM 42 OG SER A 5 4.866 -11.750 -12.910 1.00 0.00 O ATOM 0 H SER A 5 7.776 -12.953 -13.037 1.00 0.00 H new ATOM 0 HA SER A 5 7.675 -10.299 -14.029 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.365 -9.768 -13.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.375 -10.731 -14.625 1.00 0.00 H new ATOM 0 HG SER A 5 3.911 -11.570 -13.033 1.00 0.00 H new ATOM 48 N SER A 6 7.792 -9.479 -11.617 1.00 0.00 N ATOM 49 CA SER A 6 8.194 -9.105 -10.266 1.00 0.00 C ATOM 50 C SER A 6 7.026 -8.484 -9.505 1.00 0.00 C ATOM 51 O SER A 6 6.353 -7.584 -10.005 1.00 0.00 O ATOM 52 CB SER A 6 9.366 -8.124 -10.313 1.00 0.00 C ATOM 53 OG SER A 6 10.455 -8.664 -11.042 1.00 0.00 O ATOM 0 H SER A 6 7.733 -8.698 -12.271 1.00 0.00 H new ATOM 0 HA SER A 6 8.507 -10.009 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.044 -7.190 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.686 -7.886 -9.299 1.00 0.00 H new ATOM 0 HG SER A 6 11.191 -8.017 -11.059 1.00 0.00 H new ATOM 59 N GLY A 7 6.792 -8.974 -8.291 1.00 0.00 N ATOM 60 CA GLY A 7 5.706 -8.457 -7.479 1.00 0.00 C ATOM 61 C GLY A 7 4.343 -8.835 -8.025 1.00 0.00 C ATOM 62 O GLY A 7 4.221 -9.242 -9.181 1.00 0.00 O ATOM 0 H GLY A 7 7.335 -9.720 -7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.804 -8.836 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.783 -7.371 -7.423 1.00 0.00 H new ATOM 66 N ARG A 8 3.317 -8.704 -7.192 1.00 0.00 N ATOM 67 CA ARG A 8 1.956 -9.038 -7.596 1.00 0.00 C ATOM 68 C ARG A 8 1.130 -7.775 -7.820 1.00 0.00 C ATOM 69 O ARG A 8 1.278 -6.774 -7.119 1.00 0.00 O ATOM 70 CB ARG A 8 1.288 -9.916 -6.537 1.00 0.00 C ATOM 71 CG ARG A 8 1.978 -11.254 -6.331 1.00 0.00 C ATOM 72 CD ARG A 8 1.421 -11.988 -5.121 1.00 0.00 C ATOM 73 NE ARG A 8 1.661 -13.427 -5.196 1.00 0.00 N ATOM 74 CZ ARG A 8 2.828 -13.993 -4.913 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.857 -13.247 -4.537 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.968 -15.310 -5.004 1.00 0.00 N ATOM 0 H ARG A 8 3.402 -8.369 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 8 2.007 -9.589 -8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.269 -9.377 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.251 -10.092 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.852 -11.870 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.049 -11.096 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.878 -11.591 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.350 -11.803 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 8 0.889 -14.030 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.754 -12.235 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.752 -13.685 -4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.178 -15.888 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.865 -15.744 -4.786 1.00 0.00 H new ATOM 90 N PRO A 9 0.239 -7.820 -8.822 1.00 0.00 N ATOM 91 CA PRO A 9 -0.629 -6.689 -9.162 1.00 0.00 C ATOM 92 C PRO A 9 -1.690 -6.432 -8.098 1.00 0.00 C ATOM 93 O PRO A 9 -2.237 -7.367 -7.515 1.00 0.00 O ATOM 94 CB PRO A 9 -1.283 -7.125 -10.475 1.00 0.00 C ATOM 95 CG PRO A 9 -1.247 -8.614 -10.440 1.00 0.00 C ATOM 96 CD PRO A 9 0.009 -8.981 -9.699 1.00 0.00 C ATOM 0 HA PRO A 9 -0.071 -5.756 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.306 -6.755 -10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.740 -6.736 -11.336 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.128 -9.014 -9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.240 -9.028 -11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.117 -9.899 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.845 -9.142 -10.380 1.00 0.00 H new ATOM 104 N ALA A 10 -1.977 -5.158 -7.850 1.00 0.00 N ATOM 105 CA ALA A 10 -2.975 -4.778 -6.858 1.00 0.00 C ATOM 106 C ALA A 10 -3.453 -3.347 -7.080 1.00 0.00 C ATOM 107 O ALA A 10 -2.647 -2.436 -7.267 1.00 0.00 O ATOM 108 CB ALA A 10 -2.411 -4.937 -5.454 1.00 0.00 C ATOM 0 H ALA A 10 -1.532 -4.371 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.833 -5.441 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.167 -4.650 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.126 -5.977 -5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.535 -4.299 -5.339 1.00 0.00 H new ATOM 114 N ARG A 11 -4.768 -3.157 -7.057 1.00 0.00 N ATOM 115 CA ARG A 11 -5.353 -1.837 -7.257 1.00 0.00 C ATOM 116 C ARG A 11 -5.785 -1.226 -5.927 1.00 0.00 C ATOM 117 O ARG A 11 -6.432 -1.883 -5.112 1.00 0.00 O ATOM 118 CB ARG A 11 -6.552 -1.925 -8.203 1.00 0.00 C ATOM 119 CG ARG A 11 -7.389 -0.657 -8.245 1.00 0.00 C ATOM 120 CD ARG A 11 -8.660 -0.855 -9.056 1.00 0.00 C ATOM 121 NE ARG A 11 -9.381 0.399 -9.260 1.00 0.00 N ATOM 122 CZ ARG A 11 -10.346 0.554 -10.159 1.00 0.00 C ATOM 123 NH1 ARG A 11 -10.705 -0.460 -10.934 1.00 0.00 N ATOM 124 NH2 ARG A 11 -10.955 1.727 -10.285 1.00 0.00 N ATOM 0 H ARG A 11 -5.449 -3.901 -6.902 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.593 -1.195 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.195 -2.148 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.185 -2.758 -7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.647 -0.356 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.802 0.153 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.409 -1.290 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.308 -1.567 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.129 1.199 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.240 -1.363 -10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.447 -0.337 -11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.682 2.510 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.696 1.845 -10.976 1.00 0.00 H new ATOM 138 N ALA A 12 -5.421 0.034 -5.716 1.00 0.00 N ATOM 139 CA ALA A 12 -5.771 0.734 -4.486 1.00 0.00 C ATOM 140 C ALA A 12 -7.261 1.057 -4.444 1.00 0.00 C ATOM 141 O ALA A 12 -7.777 1.772 -5.303 1.00 0.00 O ATOM 142 CB ALA A 12 -4.949 2.008 -4.351 1.00 0.00 C ATOM 0 H ALA A 12 -4.884 0.591 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.544 0.078 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.221 2.520 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.889 1.756 -4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.148 2.661 -5.201 1.00 0.00 H new ATOM 148 N LYS A 13 -7.948 0.525 -3.439 1.00 0.00 N ATOM 149 CA LYS A 13 -9.379 0.757 -3.283 1.00 0.00 C ATOM 150 C LYS A 13 -9.650 2.168 -2.772 1.00 0.00 C ATOM 151 O LYS A 13 -10.591 2.829 -3.212 1.00 0.00 O ATOM 152 CB LYS A 13 -9.981 -0.269 -2.320 1.00 0.00 C ATOM 153 CG LYS A 13 -10.213 -1.632 -2.950 1.00 0.00 C ATOM 154 CD LYS A 13 -11.542 -1.688 -3.684 1.00 0.00 C ATOM 155 CE LYS A 13 -12.675 -2.095 -2.754 1.00 0.00 C ATOM 156 NZ LYS A 13 -13.916 -2.430 -3.506 1.00 0.00 N ATOM 0 H LYS A 13 -7.537 -0.070 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.847 0.648 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.318 -0.383 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.929 0.113 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.403 -1.855 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.191 -2.400 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.760 -0.713 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.474 -2.397 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.366 -2.956 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.881 -1.284 -2.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.664 -2.702 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.225 -1.601 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.726 -3.221 -4.154 1.00 0.00 H new ATOM 170 N PHE A 14 -8.818 2.626 -1.842 1.00 0.00 N ATOM 171 CA PHE A 14 -8.967 3.960 -1.272 1.00 0.00 C ATOM 172 C PHE A 14 -7.640 4.712 -1.294 1.00 0.00 C ATOM 173 O PHE A 14 -6.596 4.142 -1.612 1.00 0.00 O ATOM 174 CB PHE A 14 -9.491 3.868 0.163 1.00 0.00 C ATOM 175 CG PHE A 14 -10.540 2.810 0.353 1.00 0.00 C ATOM 176 CD1 PHE A 14 -10.182 1.481 0.509 1.00 0.00 C ATOM 177 CD2 PHE A 14 -11.884 3.145 0.374 1.00 0.00 C ATOM 178 CE1 PHE A 14 -11.145 0.505 0.684 1.00 0.00 C ATOM 179 CE2 PHE A 14 -12.851 2.173 0.549 1.00 0.00 C ATOM 180 CZ PHE A 14 -12.481 0.851 0.703 1.00 0.00 C ATOM 0 H PHE A 14 -8.033 2.093 -1.467 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.686 4.510 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.656 3.665 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.904 4.834 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.138 1.204 0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.179 4.177 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.852 -0.527 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.896 2.447 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.235 0.090 0.838 1.00 0.00 H new ATOM 190 N ASP A 15 -7.690 5.996 -0.956 1.00 0.00 N ATOM 191 CA ASP A 15 -6.493 6.828 -0.937 1.00 0.00 C ATOM 192 C ASP A 15 -5.787 6.734 0.412 1.00 0.00 C ATOM 193 O ASP A 15 -6.261 7.273 1.412 1.00 0.00 O ATOM 194 CB ASP A 15 -6.852 8.284 -1.237 1.00 0.00 C ATOM 195 CG ASP A 15 -7.462 8.458 -2.614 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.581 7.949 -2.837 1.00 0.00 O ATOM 197 OD2 ASP A 15 -6.820 9.102 -3.470 1.00 0.00 O ATOM 0 H ASP A 15 -8.546 6.483 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.815 6.463 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.553 8.645 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.956 8.900 -1.159 1.00 0.00 H new ATOM 202 N PHE A 16 -4.651 6.044 0.433 1.00 0.00 N ATOM 203 CA PHE A 16 -3.881 5.876 1.660 1.00 0.00 C ATOM 204 C PHE A 16 -2.890 7.022 1.840 1.00 0.00 C ATOM 205 O PHE A 16 -2.350 7.551 0.868 1.00 0.00 O ATOM 206 CB PHE A 16 -3.136 4.540 1.641 1.00 0.00 C ATOM 207 CG PHE A 16 -2.240 4.337 2.829 1.00 0.00 C ATOM 208 CD1 PHE A 16 -2.750 3.858 4.025 1.00 0.00 C ATOM 209 CD2 PHE A 16 -0.887 4.625 2.751 1.00 0.00 C ATOM 210 CE1 PHE A 16 -1.929 3.669 5.120 1.00 0.00 C ATOM 211 CE2 PHE A 16 -0.060 4.438 3.842 1.00 0.00 C ATOM 212 CZ PHE A 16 -0.582 3.961 5.029 1.00 0.00 C ATOM 0 H PHE A 16 -4.244 5.592 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.576 5.884 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.863 3.728 1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.539 4.479 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.803 3.629 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.474 5.000 1.826 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.340 3.294 6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.993 4.664 3.767 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.062 3.817 5.884 1.00 0.00 H new ATOM 222 N LYS A 17 -2.654 7.402 3.092 1.00 0.00 N ATOM 223 CA LYS A 17 -1.728 8.484 3.402 1.00 0.00 C ATOM 224 C LYS A 17 -0.515 7.960 4.166 1.00 0.00 C ATOM 225 O LYS A 17 -0.647 7.420 5.264 1.00 0.00 O ATOM 226 CB LYS A 17 -2.432 9.566 4.224 1.00 0.00 C ATOM 227 CG LYS A 17 -3.467 10.350 3.436 1.00 0.00 C ATOM 228 CD LYS A 17 -4.344 11.190 4.350 1.00 0.00 C ATOM 229 CE LYS A 17 -5.369 10.335 5.079 1.00 0.00 C ATOM 230 NZ LYS A 17 -6.522 9.985 4.205 1.00 0.00 N ATOM 0 H LYS A 17 -3.092 6.976 3.909 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.385 8.916 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.917 9.101 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.685 10.257 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.965 10.997 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.090 9.661 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.720 11.711 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.856 11.953 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.893 9.421 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.729 10.870 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.198 9.402 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.992 10.856 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.182 9.452 3.379 1.00 0.00 H new ATOM 244 N ALA A 18 0.665 8.124 3.577 1.00 0.00 N ATOM 245 CA ALA A 18 1.901 7.671 4.204 1.00 0.00 C ATOM 246 C ALA A 18 2.401 8.684 5.228 1.00 0.00 C ATOM 247 O ALA A 18 2.812 9.788 4.871 1.00 0.00 O ATOM 248 CB ALA A 18 2.965 7.416 3.147 1.00 0.00 C ATOM 0 H ALA A 18 0.791 8.567 2.667 1.00 0.00 H new ATOM 0 HA ALA A 18 1.693 6.738 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.883 7.078 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.615 6.650 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.161 8.337 2.598 1.00 0.00 H new ATOM 254 N GLN A 19 2.361 8.301 6.500 1.00 0.00 N ATOM 255 CA GLN A 19 2.809 9.178 7.575 1.00 0.00 C ATOM 256 C GLN A 19 4.304 9.459 7.461 1.00 0.00 C ATOM 257 O GLN A 19 4.749 10.595 7.632 1.00 0.00 O ATOM 258 CB GLN A 19 2.498 8.552 8.936 1.00 0.00 C ATOM 259 CG GLN A 19 1.033 8.648 9.328 1.00 0.00 C ATOM 260 CD GLN A 19 0.591 7.503 10.218 1.00 0.00 C ATOM 261 OE1 GLN A 19 1.162 7.274 11.284 1.00 0.00 O ATOM 262 NE2 GLN A 19 -0.432 6.775 9.783 1.00 0.00 N ATOM 0 H GLN A 19 2.023 7.390 6.811 1.00 0.00 H new ATOM 0 HA GLN A 19 2.272 10.123 7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.794 7.503 8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.103 9.042 9.699 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.860 9.592 9.844 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.420 8.660 8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.876 7.000 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.773 5.991 10.339 1.00 0.00 H new ATOM 271 N THR A 20 5.077 8.417 7.172 1.00 0.00 N ATOM 272 CA THR A 20 6.522 8.551 7.037 1.00 0.00 C ATOM 273 C THR A 20 7.040 7.745 5.851 1.00 0.00 C ATOM 274 O THR A 20 6.297 6.979 5.235 1.00 0.00 O ATOM 275 CB THR A 20 7.250 8.090 8.314 1.00 0.00 C ATOM 276 OG1 THR A 20 6.945 6.718 8.584 1.00 0.00 O ATOM 277 CG2 THR A 20 6.850 8.948 9.504 1.00 0.00 C ATOM 0 H THR A 20 4.726 7.470 7.027 1.00 0.00 H new ATOM 0 HA THR A 20 6.728 9.609 6.872 1.00 0.00 H new ATOM 0 HB THR A 20 8.323 8.198 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.413 6.433 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.377 8.604 10.394 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.111 9.988 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.775 8.868 9.665 1.00 0.00 H new ATOM 285 N LEU A 21 8.319 7.921 5.536 1.00 0.00 N ATOM 286 CA LEU A 21 8.937 7.209 4.423 1.00 0.00 C ATOM 287 C LEU A 21 8.630 5.716 4.494 1.00 0.00 C ATOM 288 O LEU A 21 8.376 5.075 3.474 1.00 0.00 O ATOM 289 CB LEU A 21 10.451 7.431 4.428 1.00 0.00 C ATOM 290 CG LEU A 21 10.934 8.774 3.881 1.00 0.00 C ATOM 291 CD1 LEU A 21 12.375 9.031 4.293 1.00 0.00 C ATOM 292 CD2 LEU A 21 10.795 8.814 2.366 1.00 0.00 C ATOM 0 H LEU A 21 8.948 8.550 6.035 1.00 0.00 H new ATOM 0 HA LEU A 21 8.521 7.603 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.810 7.328 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.917 6.636 3.846 1.00 0.00 H new ATOM 0 HG LEU A 21 10.311 9.562 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.702 9.992 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.445 9.047 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.013 8.239 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.144 9.777 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.393 8.017 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.749 8.677 2.093 1.00 0.00 H new ATOM 304 N LYS A 22 8.654 5.169 5.704 1.00 0.00 N ATOM 305 CA LYS A 22 8.375 3.753 5.910 1.00 0.00 C ATOM 306 C LYS A 22 7.132 3.326 5.137 1.00 0.00 C ATOM 307 O LYS A 22 7.119 2.274 4.499 1.00 0.00 O ATOM 308 CB LYS A 22 8.187 3.461 7.401 1.00 0.00 C ATOM 309 CG LYS A 22 7.774 2.028 7.692 1.00 0.00 C ATOM 310 CD LYS A 22 8.894 1.050 7.379 1.00 0.00 C ATOM 311 CE LYS A 22 9.972 1.077 8.451 1.00 0.00 C ATOM 312 NZ LYS A 22 10.949 2.178 8.228 1.00 0.00 N ATOM 0 H LYS A 22 8.864 5.685 6.558 1.00 0.00 H new ATOM 0 HA LYS A 22 9.226 3.182 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.118 3.676 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.432 4.137 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.492 1.936 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.893 1.775 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.486 0.042 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.334 1.296 6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.508 1.196 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.497 0.122 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.917 1.802 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.801 2.588 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.813 2.914 8.950 1.00 0.00 H new ATOM 326 N GLU A 23 6.090 4.149 5.198 1.00 0.00 N ATOM 327 CA GLU A 23 4.843 3.855 4.502 1.00 0.00 C ATOM 328 C GLU A 23 4.784 4.579 3.160 1.00 0.00 C ATOM 329 O GLU A 23 5.298 5.690 3.019 1.00 0.00 O ATOM 330 CB GLU A 23 3.645 4.257 5.364 1.00 0.00 C ATOM 331 CG GLU A 23 3.321 3.258 6.462 1.00 0.00 C ATOM 332 CD GLU A 23 2.374 3.821 7.504 1.00 0.00 C ATOM 333 OE1 GLU A 23 2.278 5.061 7.610 1.00 0.00 O ATOM 334 OE2 GLU A 23 1.729 3.020 8.212 1.00 0.00 O ATOM 0 H GLU A 23 6.085 5.024 5.722 1.00 0.00 H new ATOM 0 HA GLU A 23 4.805 2.781 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.843 5.229 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.771 4.376 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.878 2.367 6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.245 2.946 6.948 1.00 0.00 H new ATOM 341 N LEU A 24 4.155 3.943 2.178 1.00 0.00 N ATOM 342 CA LEU A 24 4.029 4.526 0.847 1.00 0.00 C ATOM 343 C LEU A 24 2.595 4.974 0.582 1.00 0.00 C ATOM 344 O LEU A 24 1.637 4.231 0.797 1.00 0.00 O ATOM 345 CB LEU A 24 4.464 3.516 -0.216 1.00 0.00 C ATOM 346 CG LEU A 24 4.105 3.865 -1.661 1.00 0.00 C ATOM 347 CD1 LEU A 24 5.230 4.650 -2.317 1.00 0.00 C ATOM 348 CD2 LEU A 24 3.799 2.603 -2.455 1.00 0.00 C ATOM 0 H LEU A 24 3.724 3.024 2.278 1.00 0.00 H new ATOM 0 HA LEU A 24 4.678 5.400 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.545 3.393 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.019 2.551 0.025 1.00 0.00 H new ATOM 0 HG LEU A 24 3.212 4.490 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.956 4.889 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.401 5.573 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.141 4.051 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.546 2.871 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.674 1.952 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.958 2.081 -1.998 1.00 0.00 H new ATOM 360 N PRO A 25 2.443 6.217 0.102 1.00 0.00 N ATOM 361 CA PRO A 25 1.130 6.791 -0.205 1.00 0.00 C ATOM 362 C PRO A 25 0.481 6.137 -1.420 1.00 0.00 C ATOM 363 O PRO A 25 1.145 5.870 -2.423 1.00 0.00 O ATOM 364 CB PRO A 25 1.444 8.262 -0.493 1.00 0.00 C ATOM 365 CG PRO A 25 2.865 8.265 -0.939 1.00 0.00 C ATOM 366 CD PRO A 25 3.541 7.158 -0.178 1.00 0.00 C ATOM 0 HA PRO A 25 0.421 6.644 0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.786 8.664 -1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.307 8.878 0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.937 8.100 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.337 9.225 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.331 6.690 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.001 7.524 0.740 1.00 0.00 H new ATOM 374 N LEU A 26 -0.819 5.882 -1.325 1.00 0.00 N ATOM 375 CA LEU A 26 -1.559 5.259 -2.418 1.00 0.00 C ATOM 376 C LEU A 26 -2.855 6.013 -2.697 1.00 0.00 C ATOM 377 O LEU A 26 -3.527 6.473 -1.775 1.00 0.00 O ATOM 378 CB LEU A 26 -1.867 3.799 -2.084 1.00 0.00 C ATOM 379 CG LEU A 26 -0.669 2.848 -2.066 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.095 1.462 -1.605 1.00 0.00 C ATOM 381 CD2 LEU A 26 -0.022 2.778 -3.441 1.00 0.00 C ATOM 0 H LEU A 26 -1.383 6.097 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.938 5.297 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.348 3.764 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.591 3.426 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 26 0.066 3.234 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.230 0.799 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.512 1.525 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.849 1.068 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.828 2.097 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.750 2.416 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.320 3.771 -3.733 1.00 0.00 H new ATOM 393 N GLN A 27 -3.200 6.133 -3.975 1.00 0.00 N ATOM 394 CA GLN A 27 -4.416 6.830 -4.376 1.00 0.00 C ATOM 395 C GLN A 27 -5.437 5.855 -4.952 1.00 0.00 C ATOM 396 O GLN A 27 -5.076 4.819 -5.512 1.00 0.00 O ATOM 397 CB GLN A 27 -4.093 7.915 -5.404 1.00 0.00 C ATOM 398 CG GLN A 27 -3.610 7.366 -6.737 1.00 0.00 C ATOM 399 CD GLN A 27 -2.984 8.432 -7.614 1.00 0.00 C ATOM 400 OE1 GLN A 27 -1.776 8.667 -7.559 1.00 0.00 O ATOM 401 NE2 GLN A 27 -3.803 9.084 -8.431 1.00 0.00 N ATOM 0 H GLN A 27 -2.654 5.757 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.846 7.297 -3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.983 8.522 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.329 8.576 -4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.882 6.575 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.449 6.913 -7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.797 8.857 -8.444 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.438 9.812 -9.045 1.00 0.00 H new ATOM 410 N LYS A 28 -6.715 6.192 -4.811 1.00 0.00 N ATOM 411 CA LYS A 28 -7.790 5.347 -5.318 1.00 0.00 C ATOM 412 C LYS A 28 -7.666 5.156 -6.827 1.00 0.00 C ATOM 413 O LYS A 28 -7.827 6.102 -7.597 1.00 0.00 O ATOM 414 CB LYS A 28 -9.151 5.960 -4.981 1.00 0.00 C ATOM 415 CG LYS A 28 -10.323 5.213 -5.593 1.00 0.00 C ATOM 416 CD LYS A 28 -11.625 5.975 -5.412 1.00 0.00 C ATOM 417 CE LYS A 28 -12.262 5.679 -4.063 1.00 0.00 C ATOM 418 NZ LYS A 28 -13.381 6.614 -3.760 1.00 0.00 N ATOM 0 H LYS A 28 -7.031 7.045 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.709 4.372 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.271 5.983 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.170 6.994 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.139 5.053 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.409 4.229 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.437 7.045 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.318 5.707 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.633 4.654 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.506 5.752 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.788 6.379 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.023 7.590 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.114 6.527 -4.492 1.00 0.00 H new ATOM 432 N GLY A 29 -7.381 3.925 -7.242 1.00 0.00 N ATOM 433 CA GLY A 29 -7.242 3.633 -8.656 1.00 0.00 C ATOM 434 C GLY A 29 -5.793 3.555 -9.093 1.00 0.00 C ATOM 435 O GLY A 29 -5.465 3.863 -10.239 1.00 0.00 O ATOM 0 H GLY A 29 -7.244 3.125 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.737 2.688 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.752 4.403 -9.235 1.00 0.00 H new ATOM 439 N ASP A 30 -4.922 3.144 -8.178 1.00 0.00 N ATOM 440 CA ASP A 30 -3.499 3.027 -8.474 1.00 0.00 C ATOM 441 C ASP A 30 -3.075 1.563 -8.537 1.00 0.00 C ATOM 442 O ASP A 30 -3.551 0.736 -7.759 1.00 0.00 O ATOM 443 CB ASP A 30 -2.674 3.765 -7.418 1.00 0.00 C ATOM 444 CG ASP A 30 -2.615 3.014 -6.102 1.00 0.00 C ATOM 445 OD1 ASP A 30 -2.174 1.845 -6.105 1.00 0.00 O ATOM 446 OD2 ASP A 30 -3.007 3.596 -5.069 1.00 0.00 O ATOM 0 H ASP A 30 -5.177 2.886 -7.225 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.318 3.481 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.662 3.917 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.103 4.753 -7.251 1.00 0.00 H new ATOM 451 N ILE A 31 -2.180 1.251 -9.468 1.00 0.00 N ATOM 452 CA ILE A 31 -1.693 -0.113 -9.632 1.00 0.00 C ATOM 453 C ILE A 31 -0.253 -0.244 -9.150 1.00 0.00 C ATOM 454 O ILE A 31 0.660 0.362 -9.713 1.00 0.00 O ATOM 455 CB ILE A 31 -1.774 -0.566 -11.102 1.00 0.00 C ATOM 456 CG1 ILE A 31 -3.186 -0.347 -11.649 1.00 0.00 C ATOM 457 CG2 ILE A 31 -1.372 -2.028 -11.228 1.00 0.00 C ATOM 458 CD1 ILE A 31 -4.154 -1.451 -11.283 1.00 0.00 C ATOM 0 H ILE A 31 -1.777 1.924 -10.120 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.335 -0.753 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.080 0.034 -11.691 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.570 0.601 -11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.137 -0.263 -12.735 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.434 -2.334 -12.272 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.350 -2.156 -10.873 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.044 -2.643 -10.629 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.135 -1.229 -11.704 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.793 -2.399 -11.683 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.232 -1.521 -10.198 1.00 0.00 H new ATOM 470 N VAL A 32 -0.055 -1.040 -8.104 1.00 0.00 N ATOM 471 CA VAL A 32 1.276 -1.254 -7.547 1.00 0.00 C ATOM 472 C VAL A 32 1.667 -2.727 -7.608 1.00 0.00 C ATOM 473 O VAL A 32 0.832 -3.591 -7.875 1.00 0.00 O ATOM 474 CB VAL A 32 1.357 -0.772 -6.087 1.00 0.00 C ATOM 475 CG1 VAL A 32 1.075 0.720 -6.000 1.00 0.00 C ATOM 476 CG2 VAL A 32 0.390 -1.557 -5.213 1.00 0.00 C ATOM 0 H VAL A 32 -0.799 -1.547 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 32 1.970 -0.672 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 32 2.368 -0.948 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.137 1.042 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.810 1.264 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.076 0.924 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.460 -1.203 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.627 -1.414 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.644 -2.616 -5.251 1.00 0.00 H new ATOM 486 N TYR A 33 2.941 -3.005 -7.357 1.00 0.00 N ATOM 487 CA TYR A 33 3.444 -4.373 -7.384 1.00 0.00 C ATOM 488 C TYR A 33 3.981 -4.784 -6.017 1.00 0.00 C ATOM 489 O TYR A 33 4.965 -4.226 -5.531 1.00 0.00 O ATOM 490 CB TYR A 33 4.543 -4.514 -8.439 1.00 0.00 C ATOM 491 CG TYR A 33 4.019 -4.829 -9.822 1.00 0.00 C ATOM 492 CD1 TYR A 33 3.587 -6.109 -10.147 1.00 0.00 C ATOM 493 CD2 TYR A 33 3.954 -3.847 -10.802 1.00 0.00 C ATOM 494 CE1 TYR A 33 3.108 -6.402 -11.410 1.00 0.00 C ATOM 495 CE2 TYR A 33 3.476 -4.130 -12.067 1.00 0.00 C ATOM 496 CZ TYR A 33 3.054 -5.409 -12.366 1.00 0.00 C ATOM 497 OH TYR A 33 2.576 -5.696 -13.624 1.00 0.00 O ATOM 0 H TYR A 33 3.644 -2.301 -7.133 1.00 0.00 H new ATOM 0 HA TYR A 33 2.615 -5.032 -7.641 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.117 -3.588 -8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.231 -5.302 -8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.626 -6.888 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.283 -2.845 -10.571 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.778 -7.403 -11.647 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.433 -3.354 -12.817 1.00 0.00 H new ATOM 0 HH TYR A 33 2.603 -4.887 -14.177 1.00 0.00 H new ATOM 507 N ILE A 34 3.326 -5.764 -5.402 1.00 0.00 N ATOM 508 CA ILE A 34 3.738 -6.251 -4.091 1.00 0.00 C ATOM 509 C ILE A 34 4.846 -7.291 -4.215 1.00 0.00 C ATOM 510 O ILE A 34 4.615 -8.408 -4.680 1.00 0.00 O ATOM 511 CB ILE A 34 2.554 -6.868 -3.323 1.00 0.00 C ATOM 512 CG1 ILE A 34 1.466 -5.817 -3.089 1.00 0.00 C ATOM 513 CG2 ILE A 34 3.027 -7.451 -2.000 1.00 0.00 C ATOM 514 CD1 ILE A 34 0.080 -6.405 -2.942 1.00 0.00 C ATOM 0 H ILE A 34 2.509 -6.236 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 34 4.111 -5.390 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 34 2.132 -7.674 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.708 -5.249 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.467 -5.113 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.179 -7.883 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.770 -8.226 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.471 -6.662 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.640 -5.603 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.182 -6.949 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.062 -7.087 -2.092 1.00 0.00 H new ATOM 526 N TYR A 35 6.049 -6.918 -3.793 1.00 0.00 N ATOM 527 CA TYR A 35 7.195 -7.818 -3.857 1.00 0.00 C ATOM 528 C TYR A 35 7.172 -8.811 -2.699 1.00 0.00 C ATOM 529 O TYR A 35 7.396 -10.007 -2.886 1.00 0.00 O ATOM 530 CB TYR A 35 8.499 -7.020 -3.833 1.00 0.00 C ATOM 531 CG TYR A 35 8.578 -5.957 -4.906 1.00 0.00 C ATOM 532 CD1 TYR A 35 8.383 -6.276 -6.244 1.00 0.00 C ATOM 533 CD2 TYR A 35 8.846 -4.633 -4.580 1.00 0.00 C ATOM 534 CE1 TYR A 35 8.454 -5.308 -7.227 1.00 0.00 C ATOM 535 CE2 TYR A 35 8.918 -3.658 -5.557 1.00 0.00 C ATOM 536 CZ TYR A 35 8.722 -4.001 -6.878 1.00 0.00 C ATOM 537 OH TYR A 35 8.793 -3.033 -7.854 1.00 0.00 O ATOM 0 H TYR A 35 6.256 -5.999 -3.403 1.00 0.00 H new ATOM 0 HA TYR A 35 7.136 -8.375 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.608 -6.548 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.338 -7.706 -3.951 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.172 -7.299 -6.520 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.001 -4.361 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.301 -5.573 -8.263 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.127 -2.633 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 35 9.301 -2.266 -7.517 1.00 0.00 H new ATOM 547 N LYS A 36 6.899 -8.306 -1.500 1.00 0.00 N ATOM 548 CA LYS A 36 6.845 -9.146 -0.310 1.00 0.00 C ATOM 549 C LYS A 36 5.731 -8.691 0.627 1.00 0.00 C ATOM 550 O LYS A 36 5.142 -7.628 0.433 1.00 0.00 O ATOM 551 CB LYS A 36 8.188 -9.115 0.424 1.00 0.00 C ATOM 552 CG LYS A 36 8.590 -7.728 0.897 1.00 0.00 C ATOM 553 CD LYS A 36 9.867 -7.769 1.719 1.00 0.00 C ATOM 554 CE LYS A 36 10.541 -6.406 1.768 1.00 0.00 C ATOM 555 NZ LYS A 36 11.090 -6.010 0.442 1.00 0.00 N ATOM 0 H LYS A 36 6.712 -7.318 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 36 6.635 -10.168 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.138 -9.783 1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.963 -9.503 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.731 -7.075 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.785 -7.298 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.639 -8.100 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.553 -8.500 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.822 -5.657 2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.346 -6.425 2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.128 -6.066 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.725 -6.652 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.801 -5.035 0.224 1.00 0.00 H new ATOM 569 N GLN A 37 5.450 -9.501 1.643 1.00 0.00 N ATOM 570 CA GLN A 37 4.407 -9.179 2.610 1.00 0.00 C ATOM 571 C GLN A 37 5.007 -8.886 3.981 1.00 0.00 C ATOM 572 O GLN A 37 5.561 -9.775 4.629 1.00 0.00 O ATOM 573 CB GLN A 37 3.405 -10.330 2.713 1.00 0.00 C ATOM 574 CG GLN A 37 2.348 -10.122 3.786 1.00 0.00 C ATOM 575 CD GLN A 37 1.392 -11.293 3.897 1.00 0.00 C ATOM 576 OE1 GLN A 37 0.662 -11.606 2.956 1.00 0.00 O ATOM 577 NE2 GLN A 37 1.390 -11.948 5.052 1.00 0.00 N ATOM 0 H GLN A 37 5.930 -10.384 1.818 1.00 0.00 H new ATOM 0 HA GLN A 37 3.888 -8.285 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.912 -10.459 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.945 -11.254 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.837 -9.965 4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.783 -9.216 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.012 -11.655 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.767 -12.744 5.186 1.00 0.00 H new ATOM 586 N ILE A 38 4.894 -7.636 4.416 1.00 0.00 N ATOM 587 CA ILE A 38 5.425 -7.228 5.711 1.00 0.00 C ATOM 588 C ILE A 38 4.739 -7.977 6.848 1.00 0.00 C ATOM 589 O ILE A 38 5.383 -8.705 7.603 1.00 0.00 O ATOM 590 CB ILE A 38 5.259 -5.713 5.935 1.00 0.00 C ATOM 591 CG1 ILE A 38 5.825 -4.934 4.745 1.00 0.00 C ATOM 592 CG2 ILE A 38 5.944 -5.290 7.226 1.00 0.00 C ATOM 593 CD1 ILE A 38 7.334 -4.988 4.651 1.00 0.00 C ATOM 0 H ILE A 38 4.440 -6.888 3.891 1.00 0.00 H new ATOM 0 HA ILE A 38 6.487 -7.473 5.708 1.00 0.00 H new ATOM 0 HB ILE A 38 4.196 -5.488 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.397 -5.331 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.511 -3.893 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.818 -4.217 7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.499 -5.824 8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.007 -5.526 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.665 -4.415 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.770 -4.564 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.655 -6.024 4.545 1.00 0.00 H new ATOM 605 N ASP A 39 3.428 -7.794 6.962 1.00 0.00 N ATOM 606 CA ASP A 39 2.652 -8.455 8.005 1.00 0.00 C ATOM 607 C ASP A 39 1.360 -9.034 7.438 1.00 0.00 C ATOM 608 O ASP A 39 1.012 -8.785 6.284 1.00 0.00 O ATOM 609 CB ASP A 39 2.333 -7.473 9.133 1.00 0.00 C ATOM 610 CG ASP A 39 1.828 -8.169 10.382 1.00 0.00 C ATOM 611 OD1 ASP A 39 2.614 -8.911 11.006 1.00 0.00 O ATOM 612 OD2 ASP A 39 0.646 -7.972 10.734 1.00 0.00 O ATOM 0 H ASP A 39 2.881 -7.194 6.345 1.00 0.00 H new ATOM 0 HA ASP A 39 3.251 -9.274 8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.228 -6.901 9.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.583 -6.761 8.789 1.00 0.00 H new ATOM 617 N GLN A 40 0.654 -9.807 8.256 1.00 0.00 N ATOM 618 CA GLN A 40 -0.599 -10.423 7.834 1.00 0.00 C ATOM 619 C GLN A 40 -1.620 -9.361 7.437 1.00 0.00 C ATOM 620 O GLN A 40 -2.650 -9.671 6.840 1.00 0.00 O ATOM 621 CB GLN A 40 -1.164 -11.298 8.954 1.00 0.00 C ATOM 622 CG GLN A 40 -0.199 -12.368 9.436 1.00 0.00 C ATOM 623 CD GLN A 40 -0.771 -13.205 10.564 1.00 0.00 C ATOM 624 OE1 GLN A 40 -1.512 -14.160 10.330 1.00 0.00 O ATOM 625 NE2 GLN A 40 -0.428 -12.850 11.797 1.00 0.00 N ATOM 0 H GLN A 40 0.928 -10.022 9.215 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.394 -11.047 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.439 -10.663 9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.078 -11.777 8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.062 -13.019 8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.724 -11.895 9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.189 -12.051 11.945 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.781 -13.376 12.596 1.00 0.00 H new ATOM 634 N ASN A 41 -1.326 -8.110 7.773 1.00 0.00 N ATOM 635 CA ASN A 41 -2.219 -7.002 7.453 1.00 0.00 C ATOM 636 C ASN A 41 -1.459 -5.871 6.768 1.00 0.00 C ATOM 637 O ASN A 41 -1.927 -4.733 6.722 1.00 0.00 O ATOM 638 CB ASN A 41 -2.897 -6.482 8.722 1.00 0.00 C ATOM 639 CG ASN A 41 -4.164 -7.245 9.055 1.00 0.00 C ATOM 640 OD1 ASN A 41 -5.112 -7.270 8.270 1.00 0.00 O ATOM 641 ND2 ASN A 41 -4.187 -7.871 10.226 1.00 0.00 N ATOM 0 H ASN A 41 -0.476 -7.837 8.267 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.982 -7.370 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.202 -6.555 9.558 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.135 -5.426 8.597 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.013 -8.399 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.378 -7.823 10.846 1.00 0.00 H new ATOM 648 N TRP A 42 -0.285 -6.191 6.237 1.00 0.00 N ATOM 649 CA TRP A 42 0.540 -5.202 5.553 1.00 0.00 C ATOM 650 C TRP A 42 1.230 -5.813 4.338 1.00 0.00 C ATOM 651 O TRP A 42 1.337 -7.034 4.223 1.00 0.00 O ATOM 652 CB TRP A 42 1.584 -4.628 6.513 1.00 0.00 C ATOM 653 CG TRP A 42 0.998 -3.734 7.563 1.00 0.00 C ATOM 654 CD1 TRP A 42 0.456 -4.118 8.757 1.00 0.00 C ATOM 655 CD2 TRP A 42 0.894 -2.307 7.513 1.00 0.00 C ATOM 656 NE1 TRP A 42 0.021 -3.015 9.451 1.00 0.00 N ATOM 657 CE2 TRP A 42 0.279 -1.892 8.710 1.00 0.00 C ATOM 658 CE3 TRP A 42 1.262 -1.340 6.574 1.00 0.00 C ATOM 659 CZ2 TRP A 42 0.024 -0.552 8.990 1.00 0.00 C ATOM 660 CZ3 TRP A 42 1.008 -0.010 6.853 1.00 0.00 C ATOM 661 CH2 TRP A 42 0.395 0.374 8.053 1.00 0.00 C ATOM 0 H TRP A 42 0.117 -7.128 6.267 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.111 -4.397 5.210 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.111 -5.449 6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.324 -4.068 5.941 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.381 -5.138 9.104 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.422 -3.030 10.369 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.736 -1.626 5.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.450 -0.254 9.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.287 0.746 6.134 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.212 1.421 8.242 1.00 0.00 H new ATOM 672 N TYR A 43 1.695 -4.958 3.435 1.00 0.00 N ATOM 673 CA TYR A 43 2.372 -5.415 2.227 1.00 0.00 C ATOM 674 C TYR A 43 3.571 -4.527 1.906 1.00 0.00 C ATOM 675 O TYR A 43 3.881 -3.593 2.645 1.00 0.00 O ATOM 676 CB TYR A 43 1.401 -5.426 1.046 1.00 0.00 C ATOM 677 CG TYR A 43 0.593 -6.700 0.939 1.00 0.00 C ATOM 678 CD1 TYR A 43 1.210 -7.944 0.992 1.00 0.00 C ATOM 679 CD2 TYR A 43 -0.787 -6.659 0.785 1.00 0.00 C ATOM 680 CE1 TYR A 43 0.475 -9.109 0.894 1.00 0.00 C ATOM 681 CE2 TYR A 43 -1.530 -7.820 0.687 1.00 0.00 C ATOM 682 CZ TYR A 43 -0.894 -9.042 0.742 1.00 0.00 C ATOM 683 OH TYR A 43 -1.629 -10.202 0.645 1.00 0.00 O ATOM 0 H TYR A 43 1.616 -3.944 3.516 1.00 0.00 H new ATOM 0 HA TYR A 43 2.730 -6.429 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.720 -4.580 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.963 -5.283 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.282 -8.001 1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.288 -5.703 0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.970 -10.068 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.602 -7.770 0.568 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.578 -9.980 0.543 1.00 0.00 H new ATOM 693 N GLU A 44 4.240 -4.827 0.797 1.00 0.00 N ATOM 694 CA GLU A 44 5.405 -4.056 0.378 1.00 0.00 C ATOM 695 C GLU A 44 5.548 -4.071 -1.142 1.00 0.00 C ATOM 696 O GLU A 44 5.644 -5.131 -1.757 1.00 0.00 O ATOM 697 CB GLU A 44 6.674 -4.615 1.025 1.00 0.00 C ATOM 698 CG GLU A 44 7.950 -3.945 0.542 1.00 0.00 C ATOM 699 CD GLU A 44 8.322 -2.732 1.373 1.00 0.00 C ATOM 700 OE1 GLU A 44 8.727 -2.915 2.540 1.00 0.00 O ATOM 701 OE2 GLU A 44 8.209 -1.601 0.856 1.00 0.00 O ATOM 0 H GLU A 44 3.996 -5.597 0.174 1.00 0.00 H new ATOM 0 HA GLU A 44 5.263 -3.025 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.601 -4.501 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.735 -5.684 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.768 -4.665 0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.827 -3.644 -0.498 1.00 0.00 H new ATOM 708 N GLY A 45 5.562 -2.883 -1.740 1.00 0.00 N ATOM 709 CA GLY A 45 5.692 -2.781 -3.182 1.00 0.00 C ATOM 710 C GLY A 45 6.345 -1.483 -3.614 1.00 0.00 C ATOM 711 O GLY A 45 6.970 -0.796 -2.806 1.00 0.00 O ATOM 0 H GLY A 45 5.486 -1.991 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.281 -3.621 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.705 -2.858 -3.639 1.00 0.00 H new ATOM 715 N GLU A 46 6.202 -1.147 -4.892 1.00 0.00 N ATOM 716 CA GLU A 46 6.785 0.077 -5.430 1.00 0.00 C ATOM 717 C GLU A 46 5.715 0.952 -6.076 1.00 0.00 C ATOM 718 O GLU A 46 4.649 0.468 -6.458 1.00 0.00 O ATOM 719 CB GLU A 46 7.872 -0.257 -6.454 1.00 0.00 C ATOM 720 CG GLU A 46 8.471 0.966 -7.127 1.00 0.00 C ATOM 721 CD GLU A 46 9.691 0.633 -7.963 1.00 0.00 C ATOM 722 OE1 GLU A 46 9.618 -0.318 -8.768 1.00 0.00 O ATOM 723 OE2 GLU A 46 10.720 1.326 -7.812 1.00 0.00 O ATOM 0 H GLU A 46 5.688 -1.705 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 46 7.231 0.630 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.667 -0.814 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.451 -0.912 -7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.717 1.433 -7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.745 1.697 -6.366 1.00 0.00 H new ATOM 730 N HIS A 47 6.006 2.244 -6.192 1.00 0.00 N ATOM 731 CA HIS A 47 5.069 3.187 -6.792 1.00 0.00 C ATOM 732 C HIS A 47 5.779 4.478 -7.191 1.00 0.00 C ATOM 733 O HIS A 47 6.428 5.122 -6.366 1.00 0.00 O ATOM 734 CB HIS A 47 3.932 3.497 -5.818 1.00 0.00 C ATOM 735 CG HIS A 47 2.823 4.298 -6.428 1.00 0.00 C ATOM 736 ND1 HIS A 47 2.544 5.598 -6.063 1.00 0.00 N ATOM 737 CD2 HIS A 47 1.921 3.976 -7.384 1.00 0.00 C ATOM 738 CE1 HIS A 47 1.518 6.041 -6.767 1.00 0.00 C ATOM 739 NE2 HIS A 47 1.122 5.076 -7.577 1.00 0.00 N ATOM 0 H HIS A 47 6.882 2.661 -5.879 1.00 0.00 H new ATOM 0 HA HIS A 47 4.654 2.729 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.525 2.560 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.335 4.041 -4.963 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.844 3.030 -7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.078 7.025 -6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.348 5.138 -8.239 1.00 0.00 H new ATOM 748 N HIS A 48 5.651 4.850 -8.460 1.00 0.00 N ATOM 749 CA HIS A 48 6.280 6.063 -8.969 1.00 0.00 C ATOM 750 C HIS A 48 7.714 6.186 -8.460 1.00 0.00 C ATOM 751 O HIS A 48 8.139 7.255 -8.026 1.00 0.00 O ATOM 752 CB HIS A 48 5.473 7.294 -8.554 1.00 0.00 C ATOM 753 CG HIS A 48 5.720 8.492 -9.418 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.766 9.459 -9.656 1.00 0.00 N ATOM 755 CD2 HIS A 48 6.823 8.878 -10.102 1.00 0.00 C ATOM 756 CE1 HIS A 48 5.271 10.386 -10.450 1.00 0.00 C ATOM 757 NE2 HIS A 48 6.518 10.058 -10.735 1.00 0.00 N ATOM 0 H HIS A 48 5.117 4.329 -9.155 1.00 0.00 H new ATOM 0 HA HIS A 48 6.303 6.002 -10.057 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.411 7.049 -8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.715 7.545 -7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.767 8.355 -10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.752 11.264 -10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.151 10.594 -11.328 1.00 0.00 H new ATOM 766 N GLY A 49 8.453 5.083 -8.518 1.00 0.00 N ATOM 767 CA GLY A 49 9.830 5.088 -8.059 1.00 0.00 C ATOM 768 C GLY A 49 9.939 5.202 -6.552 1.00 0.00 C ATOM 769 O GLY A 49 10.956 5.658 -6.028 1.00 0.00 O ATOM 0 H GLY A 49 8.123 4.186 -8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.322 4.173 -8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.361 5.919 -8.522 1.00 0.00 H new ATOM 773 N ARG A 50 8.888 4.787 -5.851 1.00 0.00 N ATOM 774 CA ARG A 50 8.868 4.848 -4.395 1.00 0.00 C ATOM 775 C ARG A 50 8.487 3.495 -3.800 1.00 0.00 C ATOM 776 O ARG A 50 7.380 3.001 -4.015 1.00 0.00 O ATOM 777 CB ARG A 50 7.887 5.921 -3.921 1.00 0.00 C ATOM 778 CG ARG A 50 8.248 6.524 -2.573 1.00 0.00 C ATOM 779 CD ARG A 50 7.406 7.753 -2.269 1.00 0.00 C ATOM 780 NE ARG A 50 7.918 8.947 -2.937 1.00 0.00 N ATOM 781 CZ ARG A 50 7.260 10.099 -2.990 1.00 0.00 C ATOM 782 NH1 ARG A 50 6.070 10.213 -2.417 1.00 0.00 N ATOM 783 NH2 ARG A 50 7.792 11.140 -3.617 1.00 0.00 N ATOM 0 H ARG A 50 8.039 4.405 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 50 9.870 5.107 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.844 6.716 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.889 5.487 -3.860 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.103 5.780 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.304 6.794 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.378 7.575 -2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.385 7.921 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 50 8.831 8.893 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.658 9.415 -1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.566 11.099 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.707 11.056 -4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.286 12.025 -3.657 1.00 0.00 H new ATOM 797 N VAL A 51 9.411 2.902 -3.051 1.00 0.00 N ATOM 798 CA VAL A 51 9.172 1.607 -2.424 1.00 0.00 C ATOM 799 C VAL A 51 8.893 1.762 -0.933 1.00 0.00 C ATOM 800 O VAL A 51 9.696 2.334 -0.197 1.00 0.00 O ATOM 801 CB VAL A 51 10.371 0.661 -2.616 1.00 0.00 C ATOM 802 CG1 VAL A 51 10.159 -0.634 -1.846 1.00 0.00 C ATOM 803 CG2 VAL A 51 10.597 0.380 -4.094 1.00 0.00 C ATOM 0 H VAL A 51 10.332 3.298 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 51 8.298 1.175 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 51 11.262 1.149 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.017 -1.290 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.050 -0.412 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.257 -1.129 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.448 -0.290 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.707 -0.087 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.798 1.316 -4.616 1.00 0.00 H new ATOM 813 N GLY A 52 7.749 1.246 -0.494 1.00 0.00 N ATOM 814 CA GLY A 52 7.385 1.336 0.908 1.00 0.00 C ATOM 815 C GLY A 52 6.376 0.281 1.314 1.00 0.00 C ATOM 816 O GLY A 52 6.047 -0.608 0.527 1.00 0.00 O ATOM 0 H GLY A 52 7.068 0.768 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.281 1.232 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.974 2.325 1.111 1.00 0.00 H new ATOM 820 N ILE A 53 5.885 0.376 2.545 1.00 0.00 N ATOM 821 CA ILE A 53 4.908 -0.579 3.053 1.00 0.00 C ATOM 822 C ILE A 53 3.524 0.054 3.158 1.00 0.00 C ATOM 823 O ILE A 53 3.395 1.260 3.368 1.00 0.00 O ATOM 824 CB ILE A 53 5.318 -1.122 4.435 1.00 0.00 C ATOM 825 CG1 ILE A 53 5.253 -0.010 5.484 1.00 0.00 C ATOM 826 CG2 ILE A 53 6.715 -1.721 4.375 1.00 0.00 C ATOM 827 CD1 ILE A 53 5.025 -0.519 6.890 1.00 0.00 C ATOM 0 H ILE A 53 6.148 1.104 3.209 1.00 0.00 H new ATOM 0 HA ILE A 53 4.874 -1.405 2.342 1.00 0.00 H new ATOM 0 HB ILE A 53 4.619 -1.908 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.183 0.558 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.451 0.680 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.991 -2.100 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.730 -2.538 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.427 -0.954 4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.990 0.323 7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.081 -1.062 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.840 -1.186 7.172 1.00 0.00 H new ATOM 839 N PHE A 54 2.491 -0.769 3.012 1.00 0.00 N ATOM 840 CA PHE A 54 1.116 -0.291 3.091 1.00 0.00 C ATOM 841 C PHE A 54 0.167 -1.423 3.475 1.00 0.00 C ATOM 842 O PHE A 54 0.435 -2.600 3.233 1.00 0.00 O ATOM 843 CB PHE A 54 0.687 0.317 1.754 1.00 0.00 C ATOM 844 CG PHE A 54 1.108 -0.496 0.563 1.00 0.00 C ATOM 845 CD1 PHE A 54 0.283 -1.488 0.059 1.00 0.00 C ATOM 846 CD2 PHE A 54 2.329 -0.268 -0.051 1.00 0.00 C ATOM 847 CE1 PHE A 54 0.667 -2.237 -1.037 1.00 0.00 C ATOM 848 CE2 PHE A 54 2.718 -1.014 -1.147 1.00 0.00 C ATOM 849 CZ PHE A 54 1.887 -2.001 -1.640 1.00 0.00 C ATOM 0 H PHE A 54 2.580 -1.770 2.838 1.00 0.00 H new ATOM 0 HA PHE A 54 1.069 0.477 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.398 0.426 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.108 1.319 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.671 -1.678 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.984 0.501 0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.014 -3.006 -1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.671 -0.825 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.190 -2.587 -2.495 1.00 0.00 H new ATOM 859 N PRO A 55 -0.969 -1.060 4.089 1.00 0.00 N ATOM 860 CA PRO A 55 -1.980 -2.030 4.520 1.00 0.00 C ATOM 861 C PRO A 55 -2.706 -2.672 3.343 1.00 0.00 C ATOM 862 O PRO A 55 -3.065 -1.995 2.379 1.00 0.00 O ATOM 863 CB PRO A 55 -2.950 -1.186 5.350 1.00 0.00 C ATOM 864 CG PRO A 55 -2.793 0.199 4.823 1.00 0.00 C ATOM 865 CD PRO A 55 -1.353 0.324 4.410 1.00 0.00 C ATOM 0 HA PRO A 55 -1.539 -2.861 5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.976 -1.538 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.709 -1.235 6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.458 0.372 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.046 0.937 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.238 0.983 3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.739 0.736 5.211 1.00 0.00 H new ATOM 873 N ARG A 56 -2.920 -3.981 3.428 1.00 0.00 N ATOM 874 CA ARG A 56 -3.603 -4.714 2.369 1.00 0.00 C ATOM 875 C ARG A 56 -5.089 -4.370 2.340 1.00 0.00 C ATOM 876 O ARG A 56 -5.737 -4.451 1.297 1.00 0.00 O ATOM 877 CB ARG A 56 -3.421 -6.220 2.563 1.00 0.00 C ATOM 878 CG ARG A 56 -3.979 -6.737 3.879 1.00 0.00 C ATOM 879 CD ARG A 56 -3.905 -8.253 3.958 1.00 0.00 C ATOM 880 NE ARG A 56 -4.879 -8.800 4.900 1.00 0.00 N ATOM 881 CZ ARG A 56 -5.301 -10.059 4.872 1.00 0.00 C ATOM 882 NH1 ARG A 56 -4.836 -10.898 3.956 1.00 0.00 N ATOM 883 NH2 ARG A 56 -6.188 -10.483 5.763 1.00 0.00 N ATOM 0 H ARG A 56 -2.630 -4.556 4.219 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.162 -4.421 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.907 -6.745 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.359 -6.459 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.422 -6.301 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.015 -6.416 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.080 -8.677 2.969 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.901 -8.552 4.260 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.255 -8.181 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.152 -10.577 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.162 -11.864 3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.547 -9.842 6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.511 -11.450 5.740 1.00 0.00 H new ATOM 897 N THR A 57 -5.624 -3.984 3.495 1.00 0.00 N ATOM 898 CA THR A 57 -7.033 -3.629 3.604 1.00 0.00 C ATOM 899 C THR A 57 -7.345 -2.366 2.810 1.00 0.00 C ATOM 900 O THR A 57 -8.504 -1.970 2.684 1.00 0.00 O ATOM 901 CB THR A 57 -7.447 -3.415 5.072 1.00 0.00 C ATOM 902 OG1 THR A 57 -6.354 -2.863 5.813 1.00 0.00 O ATOM 903 CG2 THR A 57 -7.886 -4.726 5.707 1.00 0.00 C ATOM 0 H THR A 57 -5.102 -3.910 4.368 1.00 0.00 H new ATOM 0 HA THR A 57 -7.601 -4.463 3.192 1.00 0.00 H new ATOM 0 HB THR A 57 -8.287 -2.721 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.626 -2.728 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.174 -4.550 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.737 -5.129 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.062 -5.439 5.675 1.00 0.00 H new ATOM 911 N TYR A 58 -6.304 -1.736 2.277 1.00 0.00 N ATOM 912 CA TYR A 58 -6.467 -0.515 1.496 1.00 0.00 C ATOM 913 C TYR A 58 -6.419 -0.814 0.001 1.00 0.00 C ATOM 914 O TYR A 58 -7.042 -0.119 -0.802 1.00 0.00 O ATOM 915 CB TYR A 58 -5.379 0.496 1.860 1.00 0.00 C ATOM 916 CG TYR A 58 -5.760 1.412 3.001 1.00 0.00 C ATOM 917 CD1 TYR A 58 -5.885 0.925 4.297 1.00 0.00 C ATOM 918 CD2 TYR A 58 -5.998 2.764 2.784 1.00 0.00 C ATOM 919 CE1 TYR A 58 -6.234 1.758 5.342 1.00 0.00 C ATOM 920 CE2 TYR A 58 -6.346 3.604 3.823 1.00 0.00 C ATOM 921 CZ TYR A 58 -6.463 3.097 5.101 1.00 0.00 C ATOM 922 OH TYR A 58 -6.811 3.930 6.139 1.00 0.00 O ATOM 0 H TYR A 58 -5.338 -2.050 2.371 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.443 -0.090 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.469 -0.042 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.148 1.100 0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.706 -0.122 4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.909 3.165 1.785 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.327 1.363 6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.526 4.652 3.636 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.935 4.841 5.800 1.00 0.00 H new ATOM 932 N ILE A 59 -5.677 -1.854 -0.365 1.00 0.00 N ATOM 933 CA ILE A 59 -5.549 -2.246 -1.763 1.00 0.00 C ATOM 934 C ILE A 59 -6.273 -3.561 -2.032 1.00 0.00 C ATOM 935 O ILE A 59 -6.677 -4.260 -1.104 1.00 0.00 O ATOM 936 CB ILE A 59 -4.072 -2.392 -2.174 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.428 -3.567 -1.435 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.314 -1.103 -1.893 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.549 -4.883 -2.171 1.00 0.00 C ATOM 0 H ILE A 59 -5.156 -2.440 0.287 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.005 -1.454 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.026 -2.591 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.373 -3.348 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.890 -3.665 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.272 -1.222 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.761 -0.287 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.365 -0.875 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.071 -5.671 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.602 -5.125 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.061 -4.803 -3.143 1.00 0.00 H new ATOM 951 N GLU A 60 -6.431 -3.892 -3.310 1.00 0.00 N ATOM 952 CA GLU A 60 -7.105 -5.125 -3.702 1.00 0.00 C ATOM 953 C GLU A 60 -6.284 -5.889 -4.737 1.00 0.00 C ATOM 954 O GLU A 60 -6.025 -5.389 -5.832 1.00 0.00 O ATOM 955 CB GLU A 60 -8.494 -4.816 -4.263 1.00 0.00 C ATOM 956 CG GLU A 60 -8.482 -4.405 -5.726 1.00 0.00 C ATOM 957 CD GLU A 60 -9.809 -3.829 -6.181 1.00 0.00 C ATOM 958 OE1 GLU A 60 -10.844 -4.498 -5.982 1.00 0.00 O ATOM 959 OE2 GLU A 60 -9.812 -2.711 -6.737 1.00 0.00 O ATOM 0 H GLU A 60 -6.102 -3.324 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.210 -5.750 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.127 -5.695 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.945 -4.018 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.696 -3.667 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.236 -5.271 -6.341 1.00 0.00 H new ATOM 966 N LEU A 61 -5.877 -7.102 -4.381 1.00 0.00 N ATOM 967 CA LEU A 61 -5.084 -7.936 -5.278 1.00 0.00 C ATOM 968 C LEU A 61 -5.863 -8.262 -6.549 1.00 0.00 C ATOM 969 O LEU A 61 -6.924 -8.886 -6.496 1.00 0.00 O ATOM 970 CB LEU A 61 -4.672 -9.230 -4.573 1.00 0.00 C ATOM 971 CG LEU A 61 -3.356 -9.181 -3.797 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.183 -10.438 -2.959 1.00 0.00 C ATOM 973 CD2 LEU A 61 -2.182 -9.006 -4.749 1.00 0.00 C ATOM 0 H LEU A 61 -6.083 -7.530 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.189 -7.379 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.467 -9.514 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.601 -10.021 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.384 -8.323 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.241 -10.385 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.008 -10.520 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.176 -11.312 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.253 -8.973 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.151 -9.843 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.300 -8.076 -5.305 1.00 0.00 H new ATOM 985 N LEU A 62 -5.329 -7.839 -7.689 1.00 0.00 N ATOM 986 CA LEU A 62 -5.973 -8.087 -8.974 1.00 0.00 C ATOM 987 C LEU A 62 -5.854 -9.556 -9.367 1.00 0.00 C ATOM 988 O LEU A 62 -4.819 -10.185 -9.151 1.00 0.00 O ATOM 989 CB LEU A 62 -5.350 -7.206 -10.058 1.00 0.00 C ATOM 990 CG LEU A 62 -5.559 -5.699 -9.899 1.00 0.00 C ATOM 991 CD1 LEU A 62 -4.549 -4.929 -10.736 1.00 0.00 C ATOM 992 CD2 LEU A 62 -6.979 -5.314 -10.287 1.00 0.00 C ATOM 0 H LEU A 62 -4.452 -7.323 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.030 -7.839 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.278 -7.403 -10.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.756 -7.509 -11.023 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.406 -5.439 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.713 -3.859 -10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.540 -5.182 -10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.670 -5.194 -11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.110 -4.238 -10.168 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.159 -5.588 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.687 -5.839 -9.645 1.00 0.00 H new ATOM 1004 N SER A 63 -6.921 -10.096 -9.948 1.00 0.00 N ATOM 1005 CA SER A 63 -6.937 -11.492 -10.371 1.00 0.00 C ATOM 1006 C SER A 63 -6.298 -11.650 -11.747 1.00 0.00 C ATOM 1007 O SER A 63 -6.865 -11.239 -12.758 1.00 0.00 O ATOM 1008 CB SER A 63 -8.372 -12.022 -10.398 1.00 0.00 C ATOM 1009 OG SER A 63 -9.203 -11.202 -11.200 1.00 0.00 O ATOM 0 H SER A 63 -7.785 -9.588 -10.137 1.00 0.00 H new ATOM 0 HA SER A 63 -6.357 -12.071 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.379 -13.041 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.767 -12.063 -9.383 1.00 0.00 H new ATOM 0 HG SER A 63 -8.703 -10.899 -11.986 1.00 0.00 H new ATOM 1015 N GLY A 64 -5.112 -12.251 -11.776 1.00 0.00 N ATOM 1016 CA GLY A 64 -4.414 -12.453 -13.032 1.00 0.00 C ATOM 1017 C GLY A 64 -5.225 -13.267 -14.021 1.00 0.00 C ATOM 1018 O GLY A 64 -6.450 -13.352 -13.931 1.00 0.00 O ATOM 0 H GLY A 64 -4.623 -12.601 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.176 -11.484 -13.472 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.467 -12.958 -12.841 1.00 0.00 H new ATOM 1022 N PRO A 65 -4.535 -13.883 -14.993 1.00 0.00 N ATOM 1023 CA PRO A 65 -5.179 -14.703 -16.023 1.00 0.00 C ATOM 1024 C PRO A 65 -5.738 -16.006 -15.460 1.00 0.00 C ATOM 1025 O PRO A 65 -5.158 -16.600 -14.552 1.00 0.00 O ATOM 1026 CB PRO A 65 -4.044 -14.991 -17.009 1.00 0.00 C ATOM 1027 CG PRO A 65 -2.800 -14.881 -16.197 1.00 0.00 C ATOM 1028 CD PRO A 65 -3.073 -13.825 -15.162 1.00 0.00 C ATOM 0 HA PRO A 65 -6.033 -14.196 -16.472 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.144 -15.984 -17.448 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.044 -14.277 -17.832 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.555 -15.834 -15.727 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.950 -14.605 -16.821 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.552 -14.034 -14.228 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.746 -12.840 -15.496 1.00 0.00 H new ATOM 1036 N SER A 66 -6.868 -16.444 -16.006 1.00 0.00 N ATOM 1037 CA SER A 66 -7.507 -17.675 -15.556 1.00 0.00 C ATOM 1038 C SER A 66 -7.585 -18.693 -16.690 1.00 0.00 C ATOM 1039 O SER A 66 -7.153 -18.425 -17.811 1.00 0.00 O ATOM 1040 CB SER A 66 -8.911 -17.380 -15.023 1.00 0.00 C ATOM 1041 OG SER A 66 -9.352 -18.408 -14.153 1.00 0.00 O ATOM 0 H SER A 66 -7.360 -15.965 -16.760 1.00 0.00 H new ATOM 0 HA SER A 66 -6.902 -18.097 -14.753 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.910 -16.427 -14.494 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.607 -17.281 -15.856 1.00 0.00 H new ATOM 0 HG SER A 66 -10.251 -18.195 -13.825 1.00 0.00 H new ATOM 1047 N SER A 67 -8.139 -19.863 -16.389 1.00 0.00 N ATOM 1048 CA SER A 67 -8.271 -20.924 -17.381 1.00 0.00 C ATOM 1049 C SER A 67 -9.137 -22.061 -16.848 1.00 0.00 C ATOM 1050 O SER A 67 -8.929 -22.548 -15.738 1.00 0.00 O ATOM 1051 CB SER A 67 -6.892 -21.459 -17.772 1.00 0.00 C ATOM 1052 OG SER A 67 -6.948 -22.165 -19.000 1.00 0.00 O ATOM 0 H SER A 67 -8.504 -20.100 -15.466 1.00 0.00 H new ATOM 0 HA SER A 67 -8.755 -20.505 -18.263 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.188 -20.631 -17.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.518 -22.117 -16.987 1.00 0.00 H new ATOM 0 HG SER A 67 -6.054 -22.495 -19.229 1.00 0.00 H new ATOM 1058 N GLY A 68 -10.112 -22.480 -17.650 1.00 0.00 N ATOM 1059 CA GLY A 68 -10.996 -23.556 -17.244 1.00 0.00 C ATOM 1060 C GLY A 68 -11.629 -24.265 -18.425 1.00 0.00 C ATOM 1061 O GLY A 68 -11.161 -24.137 -19.557 1.00 0.00 O ATOM 0 H GLY A 68 -10.305 -22.093 -18.574 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.436 -24.277 -16.649 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.780 -23.155 -16.602 1.00 0.00 H new TER 1065 GLY A 68