USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 8 CYS SG : rot 75:sc= 1.05 USER MOD Set 1.2: A 65 MET CE :methyl -158:sc= -0.0423 (180deg=-0.449) USER MOD Single : A 1 SER N :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 1 SER OG : rot 165:sc= 0.929 USER MOD Single : A 6 SER OG : rot -43:sc= 0.36 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.032 K(o=-0.032,f=-1.4!) USER MOD Single : A 32 THR OG1 : rot -12:sc= 0.733 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.335 USER MOD Single : A 48 SER OG : rot 72:sc= 0.0231 USER MOD Single : A 50 THR OG1 : rot -20:sc= 0.848 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.273 K(o=0.27,f=-6.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -130:sc= -0.126 (180deg=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.748 0.684 3.668 1.00 0.00 N ATOM 2 CA SER A 1 -14.431 0.110 3.418 1.00 0.00 C ATOM 3 C SER A 1 -13.350 0.855 4.189 1.00 0.00 C ATOM 4 O SER A 1 -12.440 0.244 4.748 1.00 0.00 O ATOM 5 CB SER A 1 -14.128 0.128 1.932 1.00 0.00 C ATOM 6 OG SER A 1 -14.029 1.433 1.431 1.00 0.00 O ATOM 0 H1 SER A 1 -16.480 0.061 3.271 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.895 0.781 4.693 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.810 1.620 3.219 1.00 0.00 H new ATOM 0 HA SER A 1 -14.439 -0.923 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.195 -0.403 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.912 -0.407 1.396 1.00 0.00 H new ATOM 0 HG SER A 1 -13.606 1.413 0.547 1.00 0.00 H new ATOM 14 N GLU A 2 -13.455 2.180 4.216 1.00 0.00 N ATOM 15 CA GLU A 2 -12.420 3.019 4.806 1.00 0.00 C ATOM 16 C GLU A 2 -12.240 2.713 6.288 1.00 0.00 C ATOM 17 O GLU A 2 -11.143 2.843 6.829 1.00 0.00 O ATOM 18 CB GLU A 2 -12.754 4.499 4.612 1.00 0.00 C ATOM 19 CG GLU A 2 -12.656 4.983 3.171 1.00 0.00 C ATOM 20 CD GLU A 2 -13.116 6.407 3.040 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.556 6.962 4.019 1.00 0.00 O ATOM 22 OE2 GLU A 2 -12.924 6.979 1.993 1.00 0.00 O ATOM 0 H GLU A 2 -14.248 2.696 3.835 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.482 2.798 4.296 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.765 4.681 4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.081 5.095 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.625 4.899 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.261 4.343 2.528 1.00 0.00 H new ATOM 29 N GLU A 3 -13.325 2.307 6.938 1.00 0.00 N ATOM 30 CA GLU A 3 -13.283 1.949 8.351 1.00 0.00 C ATOM 31 C GLU A 3 -12.249 0.861 8.611 1.00 0.00 C ATOM 32 O GLU A 3 -11.438 0.970 9.531 1.00 0.00 O ATOM 33 CB GLU A 3 -14.662 1.490 8.829 1.00 0.00 C ATOM 34 CG GLU A 3 -14.726 1.124 10.305 1.00 0.00 C ATOM 35 CD GLU A 3 -16.120 0.732 10.711 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.992 0.768 9.878 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.290 0.290 11.823 1.00 0.00 O ATOM 0 H GLU A 3 -14.246 2.217 6.508 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.993 2.837 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.384 2.283 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.969 0.626 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.041 0.301 10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.394 1.970 10.906 1.00 0.00 H new ATOM 44 N GLU A 4 -12.284 -0.189 7.797 1.00 0.00 N ATOM 45 CA GLU A 4 -11.374 -1.316 7.962 1.00 0.00 C ATOM 46 C GLU A 4 -10.030 -1.040 7.299 1.00 0.00 C ATOM 47 O GLU A 4 -9.001 -1.569 7.718 1.00 0.00 O ATOM 48 CB GLU A 4 -11.992 -2.592 7.386 1.00 0.00 C ATOM 49 CG GLU A 4 -13.231 -3.078 8.124 1.00 0.00 C ATOM 50 CD GLU A 4 -13.810 -4.303 7.472 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.256 -4.752 6.497 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.740 -4.855 8.011 1.00 0.00 O ATOM 0 H GLU A 4 -12.933 -0.283 7.016 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.205 -1.455 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.251 -2.417 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.242 -3.383 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.976 -3.301 9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.979 -2.286 8.144 1.00 0.00 H new ATOM 59 N LEU A 5 -10.047 -0.209 6.262 1.00 0.00 N ATOM 60 CA LEU A 5 -8.838 0.099 5.508 1.00 0.00 C ATOM 61 C LEU A 5 -7.913 1.015 6.301 1.00 0.00 C ATOM 62 O LEU A 5 -6.695 0.988 6.123 1.00 0.00 O ATOM 63 CB LEU A 5 -9.201 0.743 4.164 1.00 0.00 C ATOM 64 CG LEU A 5 -9.307 -0.229 2.983 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.957 -1.531 3.434 1.00 0.00 C ATOM 66 CD2 LEU A 5 -10.112 0.415 1.864 1.00 0.00 C ATOM 0 H LEU A 5 -10.886 0.263 5.925 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.308 -0.835 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -10.153 1.262 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.452 1.498 3.927 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.308 -0.457 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.028 -2.215 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.353 -1.986 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.956 -1.325 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.187 -0.277 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.112 0.655 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.615 1.329 1.538 1.00 0.00 H new ATOM 78 N SER A 6 -8.499 1.824 7.178 1.00 0.00 N ATOM 79 CA SER A 6 -7.723 2.657 8.088 1.00 0.00 C ATOM 80 C SER A 6 -7.061 1.818 9.173 1.00 0.00 C ATOM 81 O SER A 6 -6.017 2.191 9.709 1.00 0.00 O ATOM 82 CB SER A 6 -8.611 3.718 8.709 1.00 0.00 C ATOM 83 OG SER A 6 -9.579 3.164 9.558 1.00 0.00 O ATOM 0 H SER A 6 -9.510 1.920 7.277 1.00 0.00 H new ATOM 0 HA SER A 6 -6.935 3.145 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.996 4.421 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.104 4.285 7.919 1.00 0.00 H new ATOM 0 HG SER A 6 -9.968 2.369 9.136 1.00 0.00 H new ATOM 89 N GLU A 7 -7.673 0.682 9.493 1.00 0.00 N ATOM 90 CA GLU A 7 -7.088 -0.264 10.434 1.00 0.00 C ATOM 91 C GLU A 7 -5.950 -1.047 9.793 1.00 0.00 C ATOM 92 O GLU A 7 -4.923 -1.300 10.425 1.00 0.00 O ATOM 93 CB GLU A 7 -8.156 -1.226 10.961 1.00 0.00 C ATOM 94 CG GLU A 7 -9.196 -0.576 11.863 1.00 0.00 C ATOM 95 CD GLU A 7 -10.247 -1.566 12.286 1.00 0.00 C ATOM 96 OE1 GLU A 7 -10.199 -2.685 11.833 1.00 0.00 O ATOM 97 OE2 GLU A 7 -11.030 -1.240 13.147 1.00 0.00 O ATOM 0 H GLU A 7 -8.575 0.395 9.113 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.681 0.306 11.269 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.664 -1.686 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.665 -2.028 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.708 -0.161 12.745 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.667 0.256 11.339 1.00 0.00 H new ATOM 104 N CYS A 8 -6.138 -1.430 8.535 1.00 0.00 N ATOM 105 CA CYS A 8 -5.092 -2.108 7.776 1.00 0.00 C ATOM 106 C CYS A 8 -3.839 -1.246 7.676 1.00 0.00 C ATOM 107 O CYS A 8 -2.723 -1.737 7.843 1.00 0.00 O ATOM 108 CB CYS A 8 -5.735 -2.284 6.400 1.00 0.00 C ATOM 109 SG CYS A 8 -7.086 -3.487 6.354 1.00 0.00 S ATOM 0 H CYS A 8 -7.005 -1.283 8.019 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.770 -3.044 8.232 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.113 -1.319 6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.967 -2.591 5.690 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.147 -2.969 6.898 1.00 0.00 H new ATOM 115 N PHE A 9 -4.031 0.039 7.402 1.00 0.00 N ATOM 116 CA PHE A 9 -2.926 0.990 7.373 1.00 0.00 C ATOM 117 C PHE A 9 -2.151 0.973 8.685 1.00 0.00 C ATOM 118 O PHE A 9 -0.920 0.968 8.689 1.00 0.00 O ATOM 119 CB PHE A 9 -3.442 2.401 7.087 1.00 0.00 C ATOM 120 CG PHE A 9 -2.359 3.440 7.018 1.00 0.00 C ATOM 121 CD1 PHE A 9 -1.634 3.630 5.851 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.063 4.229 8.119 1.00 0.00 C ATOM 123 CE1 PHE A 9 -0.637 4.586 5.787 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.069 5.185 8.058 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.355 5.363 6.890 1.00 0.00 C ATOM 0 H PHE A 9 -4.943 0.447 7.196 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.249 0.691 6.573 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.987 2.394 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.153 2.682 7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.850 3.025 4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.617 4.094 9.036 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.079 4.724 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.850 5.793 8.923 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.423 6.110 6.841 1.00 0.00 H new ATOM 135 N ARG A 10 -2.878 0.962 9.796 1.00 0.00 N ATOM 136 CA ARG A 10 -2.259 0.932 11.116 1.00 0.00 C ATOM 137 C ARG A 10 -1.502 -0.371 11.340 1.00 0.00 C ATOM 138 O ARG A 10 -0.465 -0.391 12.002 1.00 0.00 O ATOM 139 CB ARG A 10 -3.266 1.188 12.228 1.00 0.00 C ATOM 140 CG ARG A 10 -3.792 2.612 12.299 1.00 0.00 C ATOM 141 CD ARG A 10 -4.841 2.828 13.329 1.00 0.00 C ATOM 142 NE ARG A 10 -5.342 4.191 13.404 1.00 0.00 N ATOM 143 CZ ARG A 10 -6.337 4.597 14.215 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.967 3.744 14.993 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.682 5.873 14.191 1.00 0.00 N ATOM 0 H ARG A 10 -3.898 0.973 9.809 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.537 1.748 11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.110 0.510 12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.802 0.939 13.183 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.958 3.285 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.195 2.887 11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.676 2.158 13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.439 2.548 14.303 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.909 4.889 12.799 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.704 2.759 14.988 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.719 4.068 15.602 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.198 6.521 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.432 6.210 14.794 1.00 0.00 H new ATOM 159 N ILE A 11 -2.025 -1.457 10.782 1.00 0.00 N ATOM 160 CA ILE A 11 -1.395 -2.765 10.913 1.00 0.00 C ATOM 161 C ILE A 11 -0.049 -2.802 10.202 1.00 0.00 C ATOM 162 O ILE A 11 0.933 -3.315 10.737 1.00 0.00 O ATOM 163 CB ILE A 11 -2.292 -3.883 10.353 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.525 -4.075 11.241 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.511 -5.183 10.234 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.597 -4.941 10.619 1.00 0.00 C ATOM 0 H ILE A 11 -2.885 -1.457 10.234 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.243 -2.935 11.979 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.627 -3.592 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.215 -4.520 12.186 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.950 -3.098 11.473 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.161 -5.963 9.836 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.665 -5.039 9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.147 -5.480 11.218 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.437 -5.030 11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.937 -4.487 9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.191 -5.931 10.412 1.00 0.00 H new ATOM 178 N PHE A 12 -0.009 -2.255 8.992 1.00 0.00 N ATOM 179 CA PHE A 12 1.182 -2.329 8.156 1.00 0.00 C ATOM 180 C PHE A 12 2.195 -1.258 8.544 1.00 0.00 C ATOM 181 O PHE A 12 3.394 -1.525 8.628 1.00 0.00 O ATOM 182 CB PHE A 12 0.809 -2.188 6.679 1.00 0.00 C ATOM 183 CG PHE A 12 -0.032 -3.318 6.156 1.00 0.00 C ATOM 184 CD1 PHE A 12 0.444 -4.620 6.172 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.300 -3.080 5.648 1.00 0.00 C ATOM 186 CE1 PHE A 12 -0.326 -5.660 5.690 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.074 -4.118 5.167 1.00 0.00 C ATOM 188 CZ PHE A 12 -1.588 -5.409 5.188 1.00 0.00 C ATOM 0 H PHE A 12 -0.790 -1.754 8.568 1.00 0.00 H new ATOM 0 HA PHE A 12 1.640 -3.305 8.314 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.271 -1.251 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.722 -2.123 6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.429 -4.823 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.687 -2.072 5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.058 -6.669 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.060 -3.919 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.193 -6.221 4.813 1.00 0.00 H new ATOM 198 N ASP A 13 1.705 -0.046 8.782 1.00 0.00 N ATOM 199 CA ASP A 13 2.556 1.051 9.227 1.00 0.00 C ATOM 200 C ASP A 13 2.738 1.030 10.739 1.00 0.00 C ATOM 201 O ASP A 13 2.162 1.850 11.454 1.00 0.00 O ATOM 202 CB ASP A 13 1.973 2.395 8.785 1.00 0.00 C ATOM 203 CG ASP A 13 2.886 3.589 9.033 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.002 3.382 9.447 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.519 4.678 8.662 1.00 0.00 O ATOM 0 H ASP A 13 0.721 0.201 8.674 1.00 0.00 H new ATOM 0 HA ASP A 13 3.535 0.921 8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.742 2.345 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.031 2.558 9.308 1.00 0.00 H new ATOM 210 N LYS A 14 3.543 0.089 11.220 1.00 0.00 N ATOM 211 CA LYS A 14 3.780 -0.058 12.651 1.00 0.00 C ATOM 212 C LYS A 14 4.757 0.994 13.158 1.00 0.00 C ATOM 213 O LYS A 14 4.743 1.354 14.336 1.00 0.00 O ATOM 214 CB LYS A 14 4.306 -1.459 12.966 1.00 0.00 C ATOM 215 CG LYS A 14 3.299 -2.577 12.726 1.00 0.00 C ATOM 216 CD LYS A 14 3.888 -3.936 13.074 1.00 0.00 C ATOM 217 CE LYS A 14 2.878 -5.052 12.850 1.00 0.00 C ATOM 218 NZ LYS A 14 3.436 -6.387 13.199 1.00 0.00 N ATOM 0 H LYS A 14 4.043 -0.584 10.639 1.00 0.00 H new ATOM 0 HA LYS A 14 2.828 0.086 13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.191 -1.647 12.358 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.623 -1.489 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.407 -2.401 13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.987 -2.570 11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.774 -4.117 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.211 -3.939 14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.989 -4.862 13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.563 -5.052 11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.716 -7.119 13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.270 -6.580 12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.713 -6.396 14.201 1.00 0.00 H new ATOM 232 N ASP A 15 5.608 1.485 12.262 1.00 0.00 N ATOM 233 CA ASP A 15 6.577 2.518 12.611 1.00 0.00 C ATOM 234 C ASP A 15 5.889 3.851 12.873 1.00 0.00 C ATOM 235 O ASP A 15 6.383 4.674 13.644 1.00 0.00 O ATOM 236 CB ASP A 15 7.618 2.673 11.500 1.00 0.00 C ATOM 237 CG ASP A 15 8.622 1.531 11.415 1.00 0.00 C ATOM 238 OD1 ASP A 15 8.681 0.748 12.334 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.208 1.358 10.373 1.00 0.00 O ATOM 0 H ASP A 15 5.646 1.184 11.288 1.00 0.00 H new ATOM 0 HA ASP A 15 7.080 2.208 13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.101 2.758 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.160 3.606 11.654 1.00 0.00 H new ATOM 244 N GLY A 16 4.747 4.059 12.227 1.00 0.00 N ATOM 245 CA GLY A 16 4.022 5.319 12.340 1.00 0.00 C ATOM 246 C GLY A 16 4.607 6.376 11.413 1.00 0.00 C ATOM 247 O GLY A 16 4.683 7.553 11.767 1.00 0.00 O ATOM 0 H GLY A 16 4.303 3.371 11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.971 5.160 12.097 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.061 5.673 13.370 1.00 0.00 H new ATOM 251 N ASN A 17 5.020 5.950 10.224 1.00 0.00 N ATOM 252 CA ASN A 17 5.653 6.849 9.265 1.00 0.00 C ATOM 253 C ASN A 17 4.651 7.848 8.702 1.00 0.00 C ATOM 254 O ASN A 17 4.995 8.997 8.425 1.00 0.00 O ATOM 255 CB ASN A 17 6.317 6.079 8.139 1.00 0.00 C ATOM 256 CG ASN A 17 7.586 5.383 8.546 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.235 5.758 9.530 1.00 0.00 O ATOM 258 ND2 ASN A 17 7.986 4.426 7.750 1.00 0.00 N ATOM 0 H ASN A 17 4.928 4.987 9.901 1.00 0.00 H new ATOM 0 HA ASN A 17 6.425 7.401 9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.615 5.339 7.754 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.536 6.766 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.871 3.951 7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.413 4.154 6.951 1.00 0.00 H new ATOM 265 N GLY A 18 3.410 7.403 8.534 1.00 0.00 N ATOM 266 CA GLY A 18 2.369 8.241 7.951 1.00 0.00 C ATOM 267 C GLY A 18 2.239 7.995 6.453 1.00 0.00 C ATOM 268 O GLY A 18 1.517 8.710 5.757 1.00 0.00 O ATOM 0 H GLY A 18 3.101 6.466 8.794 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.417 8.036 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.600 9.291 8.131 1.00 0.00 H new ATOM 272 N PHE A 19 2.943 6.980 5.962 1.00 0.00 N ATOM 273 CA PHE A 19 2.911 6.642 4.544 1.00 0.00 C ATOM 274 C PHE A 19 3.432 5.231 4.303 1.00 0.00 C ATOM 275 O PHE A 19 4.055 4.631 5.179 1.00 0.00 O ATOM 276 CB PHE A 19 3.731 7.651 3.736 1.00 0.00 C ATOM 277 CG PHE A 19 5.181 7.704 4.124 1.00 0.00 C ATOM 278 CD1 PHE A 19 6.097 6.827 3.562 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.632 8.630 5.053 1.00 0.00 C ATOM 280 CE1 PHE A 19 7.431 6.875 3.919 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.965 8.681 5.411 1.00 0.00 C ATOM 282 CZ PHE A 19 7.865 7.802 4.843 1.00 0.00 C ATOM 0 H PHE A 19 3.543 6.377 6.526 1.00 0.00 H new ATOM 0 HA PHE A 19 1.873 6.683 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.657 7.401 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.295 8.642 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.764 6.099 2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.932 9.319 5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.134 6.186 3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.303 9.408 6.135 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.908 7.840 5.122 1.00 0.00 H new ATOM 292 N ILE A 20 3.173 4.707 3.110 1.00 0.00 N ATOM 293 CA ILE A 20 3.682 3.395 2.724 1.00 0.00 C ATOM 294 C ILE A 20 4.852 3.522 1.756 1.00 0.00 C ATOM 295 O ILE A 20 4.741 4.166 0.714 1.00 0.00 O ATOM 296 CB ILE A 20 2.584 2.532 2.077 1.00 0.00 C ATOM 297 CG1 ILE A 20 1.401 2.366 3.034 1.00 0.00 C ATOM 298 CG2 ILE A 20 3.142 1.175 1.675 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.774 1.755 4.364 1.00 0.00 C ATOM 0 H ILE A 20 2.614 5.170 2.393 1.00 0.00 H new ATOM 0 HA ILE A 20 4.022 2.908 3.638 1.00 0.00 H new ATOM 0 HB ILE A 20 2.231 3.038 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.946 3.341 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.645 1.742 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.353 0.577 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.952 1.312 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.522 0.661 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.884 1.669 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.201 0.765 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.507 2.389 4.863 1.00 0.00 H new ATOM 311 N ASP A 21 5.974 2.903 2.109 1.00 0.00 N ATOM 312 CA ASP A 21 7.179 2.978 1.291 1.00 0.00 C ATOM 313 C ASP A 21 7.134 1.971 0.149 1.00 0.00 C ATOM 314 O ASP A 21 6.259 1.105 0.107 1.00 0.00 O ATOM 315 CB ASP A 21 8.424 2.744 2.149 1.00 0.00 C ATOM 316 CG ASP A 21 9.700 3.356 1.587 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.645 3.916 0.517 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.678 3.397 2.295 1.00 0.00 O ATOM 0 H ASP A 21 6.074 2.344 2.956 1.00 0.00 H new ATOM 0 HA ASP A 21 7.228 3.978 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.247 3.153 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.572 1.671 2.268 1.00 0.00 H new ATOM 323 N ARG A 22 8.080 2.089 -0.775 1.00 0.00 N ATOM 324 CA ARG A 22 8.166 1.173 -1.906 1.00 0.00 C ATOM 325 C ARG A 22 8.523 -0.236 -1.447 1.00 0.00 C ATOM 326 O ARG A 22 7.900 -1.212 -1.867 1.00 0.00 O ATOM 327 CB ARG A 22 9.126 1.670 -2.976 1.00 0.00 C ATOM 328 CG ARG A 22 9.158 0.833 -4.245 1.00 0.00 C ATOM 329 CD ARG A 22 10.105 1.324 -5.280 1.00 0.00 C ATOM 330 NE ARG A 22 11.508 1.216 -4.912 1.00 0.00 N ATOM 331 CZ ARG A 22 12.251 0.102 -5.050 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.724 -1.012 -5.511 1.00 0.00 N ATOM 333 NH2 ARG A 22 13.521 0.149 -4.689 1.00 0.00 N ATOM 0 H ARG A 22 8.800 2.812 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 22 7.177 1.135 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.856 2.693 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.131 1.704 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.423 -0.191 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.155 0.803 -4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.940 0.765 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.878 2.368 -5.496 1.00 0.00 H new ATOM 0 HE ARG A 22 11.961 2.043 -4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.738 -1.041 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.302 -1.847 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.914 1.014 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.109 -0.680 -4.782 1.00 0.00 H new ATOM 347 N GLU A 23 9.529 -0.335 -0.585 1.00 0.00 N ATOM 348 CA GLU A 23 9.961 -1.623 -0.056 1.00 0.00 C ATOM 349 C GLU A 23 8.891 -2.238 0.839 1.00 0.00 C ATOM 350 O GLU A 23 8.734 -3.457 0.886 1.00 0.00 O ATOM 351 CB GLU A 23 11.271 -1.472 0.719 1.00 0.00 C ATOM 352 CG GLU A 23 12.484 -1.168 -0.150 1.00 0.00 C ATOM 353 CD GLU A 23 13.709 -0.931 0.687 1.00 0.00 C ATOM 354 OE1 GLU A 23 13.596 -0.941 1.890 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.779 -0.852 0.130 1.00 0.00 O ATOM 0 H GLU A 23 10.061 0.463 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 23 10.125 -2.292 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.155 -0.674 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.458 -2.391 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.662 -1.999 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.284 -0.289 -0.763 1.00 0.00 H new ATOM 362 N GLU A 24 8.158 -1.385 1.546 1.00 0.00 N ATOM 363 CA GLU A 24 7.048 -1.836 2.378 1.00 0.00 C ATOM 364 C GLU A 24 5.906 -2.376 1.526 1.00 0.00 C ATOM 365 O GLU A 24 5.342 -3.430 1.823 1.00 0.00 O ATOM 366 CB GLU A 24 6.548 -0.696 3.268 1.00 0.00 C ATOM 367 CG GLU A 24 7.513 -0.292 4.374 1.00 0.00 C ATOM 368 CD GLU A 24 7.041 0.945 5.085 1.00 0.00 C ATOM 369 OE1 GLU A 24 6.062 1.513 4.663 1.00 0.00 O ATOM 370 OE2 GLU A 24 7.590 1.260 6.115 1.00 0.00 O ATOM 0 H GLU A 24 8.312 -0.377 1.560 1.00 0.00 H new ATOM 0 HA GLU A 24 7.412 -2.645 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.345 0.174 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.601 -0.992 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.613 -1.109 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.502 -0.116 3.951 1.00 0.00 H new ATOM 377 N PHE A 25 5.569 -1.647 0.468 1.00 0.00 N ATOM 378 CA PHE A 25 4.458 -2.023 -0.399 1.00 0.00 C ATOM 379 C PHE A 25 4.672 -3.407 -0.998 1.00 0.00 C ATOM 380 O PHE A 25 3.727 -4.183 -1.146 1.00 0.00 O ATOM 381 CB PHE A 25 4.275 -0.990 -1.512 1.00 0.00 C ATOM 382 CG PHE A 25 3.176 -1.329 -2.478 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.846 -1.245 -2.095 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.469 -1.732 -3.772 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.833 -1.555 -2.983 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.461 -2.043 -4.662 1.00 0.00 C ATOM 387 CZ PHE A 25 1.140 -1.955 -4.267 1.00 0.00 C ATOM 0 H PHE A 25 6.050 -0.791 0.190 1.00 0.00 H new ATOM 0 HA PHE A 25 3.554 -2.051 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.065 -0.019 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.211 -0.891 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.599 -0.934 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.499 -1.803 -4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.199 -1.484 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.705 -2.355 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.350 -2.199 -4.962 1.00 0.00 H new ATOM 397 N GLY A 26 5.918 -3.710 -1.344 1.00 0.00 N ATOM 398 CA GLY A 26 6.256 -4.997 -1.942 1.00 0.00 C ATOM 399 C GLY A 26 5.834 -6.151 -1.042 1.00 0.00 C ATOM 400 O GLY A 26 5.492 -7.232 -1.523 1.00 0.00 O ATOM 0 H GLY A 26 6.712 -3.081 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.766 -5.090 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.330 -5.047 -2.122 1.00 0.00 H new ATOM 404 N ASP A 27 5.859 -5.916 0.265 1.00 0.00 N ATOM 405 CA ASP A 27 5.472 -6.934 1.235 1.00 0.00 C ATOM 406 C ASP A 27 3.993 -6.824 1.586 1.00 0.00 C ATOM 407 O ASP A 27 3.322 -7.832 1.809 1.00 0.00 O ATOM 408 CB ASP A 27 6.323 -6.819 2.502 1.00 0.00 C ATOM 409 CG ASP A 27 7.809 -7.068 2.285 1.00 0.00 C ATOM 410 OD1 ASP A 27 8.149 -8.108 1.770 1.00 0.00 O ATOM 411 OD2 ASP A 27 8.579 -6.160 2.489 1.00 0.00 O ATOM 0 H ASP A 27 6.144 -5.028 0.678 1.00 0.00 H new ATOM 0 HA ASP A 27 5.644 -7.910 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.192 -5.823 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.952 -7.530 3.240 1.00 0.00 H new ATOM 416 N ILE A 28 3.491 -5.595 1.634 1.00 0.00 N ATOM 417 CA ILE A 28 2.107 -5.347 2.022 1.00 0.00 C ATOM 418 C ILE A 28 1.137 -5.939 1.009 1.00 0.00 C ATOM 419 O ILE A 28 0.173 -6.611 1.377 1.00 0.00 O ATOM 420 CB ILE A 28 1.824 -3.842 2.174 1.00 0.00 C ATOM 421 CG1 ILE A 28 2.569 -3.277 3.385 1.00 0.00 C ATOM 422 CG2 ILE A 28 0.329 -3.593 2.299 1.00 0.00 C ATOM 423 CD1 ILE A 28 2.589 -1.767 3.440 1.00 0.00 C ATOM 0 H ILE A 28 4.022 -4.754 1.409 1.00 0.00 H new ATOM 0 HA ILE A 28 1.959 -5.832 2.987 1.00 0.00 H new ATOM 0 HB ILE A 28 2.184 -3.330 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.105 -3.658 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.595 -3.644 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.146 -2.524 2.406 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.177 -3.960 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.055 -4.116 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.135 -1.442 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.080 -1.377 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.567 -1.391 3.486 1.00 0.00 H new ATOM 435 N ILE A 29 1.394 -5.684 -0.270 1.00 0.00 N ATOM 436 CA ILE A 29 0.494 -6.110 -1.334 1.00 0.00 C ATOM 437 C ILE A 29 0.356 -7.627 -1.364 1.00 0.00 C ATOM 438 O ILE A 29 -0.674 -8.158 -1.779 1.00 0.00 O ATOM 439 CB ILE A 29 0.975 -5.620 -2.712 1.00 0.00 C ATOM 440 CG1 ILE A 29 -0.170 -5.676 -3.727 1.00 0.00 C ATOM 441 CG2 ILE A 29 2.156 -6.452 -3.189 1.00 0.00 C ATOM 442 CD1 ILE A 29 -1.303 -4.724 -3.423 1.00 0.00 C ATOM 0 H ILE A 29 2.221 -5.183 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.478 -5.664 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 29 1.301 -4.584 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.224 -5.452 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.562 -6.692 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.484 -6.093 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.975 -6.363 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.856 -7.497 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.075 -4.822 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.725 -4.961 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.927 -3.701 -3.417 1.00 0.00 H new ATOM 454 N ARG A 30 1.399 -8.320 -0.921 1.00 0.00 N ATOM 455 CA ARG A 30 1.363 -9.774 -0.810 1.00 0.00 C ATOM 456 C ARG A 30 0.577 -10.212 0.420 1.00 0.00 C ATOM 457 O ARG A 30 0.088 -11.339 0.484 1.00 0.00 O ATOM 458 CB ARG A 30 2.755 -10.386 -0.830 1.00 0.00 C ATOM 459 CG ARG A 30 3.471 -10.304 -2.169 1.00 0.00 C ATOM 460 CD ARG A 30 4.857 -10.839 -2.155 1.00 0.00 C ATOM 461 NE ARG A 30 5.816 -10.006 -1.447 1.00 0.00 N ATOM 462 CZ ARG A 30 7.073 -10.380 -1.139 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.516 -11.581 -1.440 1.00 0.00 N ATOM 464 NH2 ARG A 30 7.845 -9.515 -0.504 1.00 0.00 N ATOM 0 H ARG A 30 2.281 -7.898 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 30 0.843 -10.151 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.366 -9.888 -0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.680 -11.434 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.891 -10.851 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.499 -9.263 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.847 -11.829 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.195 -10.966 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 30 5.516 -9.073 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.905 -12.246 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.471 -11.848 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.484 -8.593 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.801 -9.770 -0.258 1.00 0.00 H new ATOM 478 N LEU A 31 0.462 -9.315 1.393 1.00 0.00 N ATOM 479 CA LEU A 31 -0.306 -9.590 2.601 1.00 0.00 C ATOM 480 C LEU A 31 -1.769 -9.204 2.423 1.00 0.00 C ATOM 481 O LEU A 31 -2.630 -9.620 3.198 1.00 0.00 O ATOM 482 CB LEU A 31 0.301 -8.845 3.796 1.00 0.00 C ATOM 483 CG LEU A 31 1.716 -9.288 4.191 1.00 0.00 C ATOM 484 CD1 LEU A 31 2.260 -8.380 5.285 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.683 -10.735 4.658 1.00 0.00 C ATOM 0 H LEU A 31 0.892 -8.390 1.368 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.263 -10.662 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.322 -7.779 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.356 -8.974 4.656 1.00 0.00 H new ATOM 0 HG LEU A 31 2.376 -9.213 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.265 -8.702 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.295 -7.353 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.611 -8.434 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.688 -11.050 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.021 -10.824 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.316 -11.369 3.851 1.00 0.00 H new ATOM 497 N THR A 32 -2.045 -8.405 1.397 1.00 0.00 N ATOM 498 CA THR A 32 -3.415 -8.049 1.050 1.00 0.00 C ATOM 499 C THR A 32 -4.034 -9.083 0.118 1.00 0.00 C ATOM 500 O THR A 32 -5.256 -9.178 0.004 1.00 0.00 O ATOM 501 CB THR A 32 -3.487 -6.663 0.383 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.718 -6.673 -0.827 1.00 0.00 O ATOM 503 CG2 THR A 32 -2.943 -5.593 1.316 1.00 0.00 C ATOM 0 H THR A 32 -1.336 -7.992 0.791 1.00 0.00 H new ATOM 0 HA THR A 32 -3.978 -8.023 1.983 1.00 0.00 H new ATOM 0 HB THR A 32 -4.530 -6.438 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.172 -7.486 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.002 -4.620 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.533 -5.575 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.904 -5.815 1.558 1.00 0.00 H new ATOM 511 N GLY A 33 -3.183 -9.857 -0.547 1.00 0.00 N ATOM 512 CA GLY A 33 -3.634 -11.020 -1.302 1.00 0.00 C ATOM 513 C GLY A 33 -3.483 -10.796 -2.801 1.00 0.00 C ATOM 514 O GLY A 33 -4.254 -11.330 -3.598 1.00 0.00 O ATOM 0 H GLY A 33 -2.176 -9.699 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.059 -11.896 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.678 -11.228 -1.066 1.00 0.00 H new ATOM 518 N GLU A 34 -2.486 -10.003 -3.178 1.00 0.00 N ATOM 519 CA GLU A 34 -2.134 -9.830 -4.583 1.00 0.00 C ATOM 520 C GLU A 34 -0.628 -9.913 -4.787 1.00 0.00 C ATOM 521 O GLU A 34 0.086 -8.922 -4.627 1.00 0.00 O ATOM 522 CB GLU A 34 -2.663 -8.492 -5.105 1.00 0.00 C ATOM 523 CG GLU A 34 -2.393 -8.243 -6.582 1.00 0.00 C ATOM 524 CD GLU A 34 -2.999 -6.945 -7.037 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.656 -6.309 -6.248 1.00 0.00 O ATOM 526 OE2 GLU A 34 -2.713 -6.533 -8.137 1.00 0.00 O ATOM 0 H GLU A 34 -1.907 -9.469 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.599 -10.639 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.738 -8.448 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.213 -7.686 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.318 -8.227 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.801 -9.064 -7.172 1.00 0.00 H new ATOM 533 N GLN A 35 -0.148 -11.100 -5.143 1.00 0.00 N ATOM 534 CA GLN A 35 1.279 -11.321 -5.343 1.00 0.00 C ATOM 535 C GLN A 35 1.776 -10.613 -6.595 1.00 0.00 C ATOM 536 O GLN A 35 1.345 -10.920 -7.706 1.00 0.00 O ATOM 537 CB GLN A 35 1.579 -12.819 -5.442 1.00 0.00 C ATOM 538 CG GLN A 35 3.058 -13.150 -5.562 1.00 0.00 C ATOM 539 CD GLN A 35 3.318 -14.645 -5.562 1.00 0.00 C ATOM 540 OE1 GLN A 35 2.388 -15.451 -5.466 1.00 0.00 O ATOM 541 NE2 GLN A 35 4.586 -15.023 -5.665 1.00 0.00 N ATOM 0 H GLN A 35 -0.728 -11.925 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 35 1.803 -10.906 -4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.176 -13.318 -4.561 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.055 -13.227 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.451 -12.716 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.599 -12.690 -4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.323 -14.322 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.824 -16.015 -5.667 1.00 0.00 H new ATOM 550 N LEU A 36 2.685 -9.662 -6.410 1.00 0.00 N ATOM 551 CA LEU A 36 3.277 -8.938 -7.529 1.00 0.00 C ATOM 552 C LEU A 36 4.749 -9.291 -7.697 1.00 0.00 C ATOM 553 O LEU A 36 5.423 -9.658 -6.734 1.00 0.00 O ATOM 554 CB LEU A 36 3.111 -7.426 -7.330 1.00 0.00 C ATOM 555 CG LEU A 36 1.660 -6.935 -7.242 1.00 0.00 C ATOM 556 CD1 LEU A 36 1.631 -5.430 -7.010 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.921 -7.298 -8.521 1.00 0.00 C ATOM 0 H LEU A 36 3.029 -9.374 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 36 2.754 -9.235 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.632 -7.136 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.603 -6.911 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 36 1.163 -7.419 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.597 -5.091 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.145 -5.196 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.130 -4.925 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.110 -6.949 -8.457 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.412 -6.826 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.930 -8.380 -8.652 1.00 0.00 H new ATOM 569 N THR A 37 5.243 -9.180 -8.926 1.00 0.00 N ATOM 570 CA THR A 37 6.661 -9.376 -9.202 1.00 0.00 C ATOM 571 C THR A 37 7.474 -8.152 -8.807 1.00 0.00 C ATOM 572 O THR A 37 6.918 -7.117 -8.438 1.00 0.00 O ATOM 573 CB THR A 37 6.909 -9.686 -10.690 1.00 0.00 C ATOM 574 OG1 THR A 37 6.580 -8.537 -11.481 1.00 0.00 O ATOM 575 CG2 THR A 37 6.059 -10.865 -11.139 1.00 0.00 C ATOM 0 H THR A 37 4.681 -8.955 -9.747 1.00 0.00 H new ATOM 0 HA THR A 37 6.982 -10.229 -8.604 1.00 0.00 H new ATOM 0 HB THR A 37 7.961 -9.939 -10.822 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.740 -8.735 -12.427 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.248 -11.069 -12.193 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.315 -11.744 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.004 -10.628 -10.999 1.00 0.00 H new ATOM 583 N ASP A 38 8.795 -8.274 -8.885 1.00 0.00 N ATOM 584 CA ASP A 38 9.687 -7.163 -8.574 1.00 0.00 C ATOM 585 C ASP A 38 9.340 -5.930 -9.398 1.00 0.00 C ATOM 586 O ASP A 38 9.456 -4.801 -8.921 1.00 0.00 O ATOM 587 CB ASP A 38 11.146 -7.564 -8.815 1.00 0.00 C ATOM 588 CG ASP A 38 11.712 -8.528 -7.782 1.00 0.00 C ATOM 589 OD1 ASP A 38 11.082 -8.720 -6.769 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.684 -9.180 -8.079 1.00 0.00 O ATOM 0 H ASP A 38 9.272 -9.132 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 38 9.557 -6.916 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.227 -8.020 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.760 -6.664 -8.829 1.00 0.00 H new ATOM 595 N GLU A 39 8.915 -6.153 -10.637 1.00 0.00 N ATOM 596 CA GLU A 39 8.555 -5.059 -11.531 1.00 0.00 C ATOM 597 C GLU A 39 7.133 -4.579 -11.269 1.00 0.00 C ATOM 598 O GLU A 39 6.866 -3.377 -11.258 1.00 0.00 O ATOM 599 CB GLU A 39 8.702 -5.491 -12.992 1.00 0.00 C ATOM 600 CG GLU A 39 10.137 -5.760 -13.426 1.00 0.00 C ATOM 601 CD GLU A 39 10.195 -6.249 -14.846 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.157 -6.420 -15.439 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.278 -6.347 -15.375 1.00 0.00 O ATOM 0 H GLU A 39 8.811 -7.082 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 39 9.236 -4.231 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.111 -6.393 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.281 -4.716 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.726 -4.848 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.586 -6.501 -12.765 1.00 0.00 H new ATOM 610 N ASP A 40 6.223 -5.524 -11.060 1.00 0.00 N ATOM 611 CA ASP A 40 4.815 -5.203 -10.862 1.00 0.00 C ATOM 612 C ASP A 40 4.605 -4.409 -9.579 1.00 0.00 C ATOM 613 O ASP A 40 3.753 -3.523 -9.518 1.00 0.00 O ATOM 614 CB ASP A 40 3.972 -6.480 -10.834 1.00 0.00 C ATOM 615 CG ASP A 40 3.801 -7.151 -12.190 1.00 0.00 C ATOM 616 OD1 ASP A 40 4.104 -6.530 -13.180 1.00 0.00 O ATOM 617 OD2 ASP A 40 3.518 -8.325 -12.217 1.00 0.00 O ATOM 0 H ASP A 40 6.436 -6.521 -11.023 1.00 0.00 H new ATOM 0 HA ASP A 40 4.494 -4.585 -11.701 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.432 -7.190 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.987 -6.242 -10.433 1.00 0.00 H new ATOM 622 N VAL A 41 5.389 -4.731 -8.556 1.00 0.00 N ATOM 623 CA VAL A 41 5.355 -3.989 -7.302 1.00 0.00 C ATOM 624 C VAL A 41 5.672 -2.516 -7.524 1.00 0.00 C ATOM 625 O VAL A 41 4.983 -1.637 -7.007 1.00 0.00 O ATOM 626 CB VAL A 41 6.347 -4.568 -6.274 1.00 0.00 C ATOM 627 CG1 VAL A 41 6.525 -3.609 -5.108 1.00 0.00 C ATOM 628 CG2 VAL A 41 5.870 -5.925 -5.779 1.00 0.00 C ATOM 0 H VAL A 41 6.057 -5.502 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 41 4.343 -4.084 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 41 7.312 -4.699 -6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.229 -4.034 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.910 -2.658 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.564 -3.447 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.582 -6.319 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.894 -5.817 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.792 -6.613 -6.621 1.00 0.00 H new ATOM 638 N ASP A 42 6.720 -2.252 -8.298 1.00 0.00 N ATOM 639 CA ASP A 42 7.157 -0.886 -8.554 1.00 0.00 C ATOM 640 C ASP A 42 6.148 -0.135 -9.415 1.00 0.00 C ATOM 641 O ASP A 42 5.894 1.050 -9.198 1.00 0.00 O ATOM 642 CB ASP A 42 8.532 -0.880 -9.231 1.00 0.00 C ATOM 643 CG ASP A 42 9.681 -1.299 -8.324 1.00 0.00 C ATOM 644 OD1 ASP A 42 9.471 -1.393 -7.138 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.709 -1.671 -8.836 1.00 0.00 O ATOM 0 H ASP A 42 7.282 -2.968 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 42 7.232 -0.376 -7.593 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.503 -1.548 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.732 0.122 -9.611 1.00 0.00 H new ATOM 650 N GLU A 43 5.576 -0.833 -10.390 1.00 0.00 N ATOM 651 CA GLU A 43 4.609 -0.228 -11.298 1.00 0.00 C ATOM 652 C GLU A 43 3.311 0.111 -10.576 1.00 0.00 C ATOM 653 O GLU A 43 2.779 1.211 -10.719 1.00 0.00 O ATOM 654 CB GLU A 43 4.325 -1.161 -12.477 1.00 0.00 C ATOM 655 CG GLU A 43 5.475 -1.289 -13.467 1.00 0.00 C ATOM 656 CD GLU A 43 5.177 -2.323 -14.518 1.00 0.00 C ATOM 657 OE1 GLU A 43 4.155 -2.959 -14.426 1.00 0.00 O ATOM 658 OE2 GLU A 43 5.913 -2.397 -15.474 1.00 0.00 O ATOM 0 H GLU A 43 5.765 -1.819 -10.572 1.00 0.00 H new ATOM 0 HA GLU A 43 5.041 0.699 -11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.081 -2.151 -12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.444 -0.800 -13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.657 -0.325 -13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.387 -1.560 -12.935 1.00 0.00 H new ATOM 665 N ILE A 44 2.807 -0.841 -9.799 1.00 0.00 N ATOM 666 CA ILE A 44 1.574 -0.643 -9.045 1.00 0.00 C ATOM 667 C ILE A 44 1.774 0.361 -7.917 1.00 0.00 C ATOM 668 O ILE A 44 0.873 1.137 -7.597 1.00 0.00 O ATOM 669 CB ILE A 44 1.052 -1.966 -8.456 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.696 -2.946 -9.578 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.153 -1.712 -7.564 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.386 -2.443 -10.505 1.00 0.00 C ATOM 0 H ILE A 44 3.234 -1.759 -9.674 1.00 0.00 H new ATOM 0 HA ILE A 44 0.836 -0.254 -9.747 1.00 0.00 H new ATOM 0 HB ILE A 44 1.840 -2.410 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.592 -3.157 -10.161 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.374 -3.889 -9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.509 -2.658 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.132 -1.049 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.947 -1.247 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.584 -3.191 -11.273 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.297 -2.259 -9.935 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.059 -1.516 -10.976 1.00 0.00 H new ATOM 684 N PHE A 45 2.959 0.341 -7.317 1.00 0.00 N ATOM 685 CA PHE A 45 3.343 1.357 -6.344 1.00 0.00 C ATOM 686 C PHE A 45 3.217 2.757 -6.930 1.00 0.00 C ATOM 687 O PHE A 45 2.632 3.648 -6.315 1.00 0.00 O ATOM 688 CB PHE A 45 4.772 1.116 -5.856 1.00 0.00 C ATOM 689 CG PHE A 45 5.282 2.181 -4.926 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.958 2.157 -3.577 1.00 0.00 C ATOM 691 CD2 PHE A 45 6.085 3.208 -5.398 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.426 3.136 -2.722 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.556 4.187 -4.545 1.00 0.00 C ATOM 694 CZ PHE A 45 6.226 4.150 -3.205 1.00 0.00 C ATOM 0 H PHE A 45 3.671 -0.369 -7.488 1.00 0.00 H new ATOM 0 HA PHE A 45 2.662 1.282 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.815 0.152 -5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.435 1.052 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.333 1.365 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.345 3.243 -6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.165 3.107 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.182 4.981 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.594 4.914 -2.536 1.00 0.00 H new ATOM 704 N GLY A 46 3.771 2.945 -8.124 1.00 0.00 N ATOM 705 CA GLY A 46 3.701 4.232 -8.806 1.00 0.00 C ATOM 706 C GLY A 46 2.265 4.583 -9.173 1.00 0.00 C ATOM 707 O GLY A 46 1.882 5.752 -9.172 1.00 0.00 O ATOM 0 H GLY A 46 4.273 2.222 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.116 5.010 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.313 4.203 -9.708 1.00 0.00 H new ATOM 711 N ASP A 47 1.473 3.563 -9.487 1.00 0.00 N ATOM 712 CA ASP A 47 0.061 3.755 -9.794 1.00 0.00 C ATOM 713 C ASP A 47 -0.703 4.265 -8.580 1.00 0.00 C ATOM 714 O ASP A 47 -1.575 5.126 -8.699 1.00 0.00 O ATOM 715 CB ASP A 47 -0.562 2.450 -10.297 1.00 0.00 C ATOM 716 CG ASP A 47 -0.144 2.056 -11.708 1.00 0.00 C ATOM 717 OD1 ASP A 47 0.421 2.878 -12.390 1.00 0.00 O ATOM 718 OD2 ASP A 47 -0.251 0.900 -12.037 1.00 0.00 O ATOM 0 H ASP A 47 1.786 2.593 -9.535 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.008 4.506 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.292 1.645 -9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.647 2.544 -10.266 1.00 0.00 H new ATOM 723 N SER A 48 -0.370 3.729 -7.410 1.00 0.00 N ATOM 724 CA SER A 48 -0.983 4.170 -6.163 1.00 0.00 C ATOM 725 C SER A 48 -0.520 5.572 -5.787 1.00 0.00 C ATOM 726 O SER A 48 -1.285 6.360 -5.230 1.00 0.00 O ATOM 727 CB SER A 48 -0.662 3.192 -5.049 1.00 0.00 C ATOM 728 OG SER A 48 -1.238 1.935 -5.271 1.00 0.00 O ATOM 0 H SER A 48 0.322 2.988 -7.300 1.00 0.00 H new ATOM 0 HA SER A 48 -2.063 4.201 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.419 3.085 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.020 3.592 -4.101 1.00 0.00 H new ATOM 0 HG SER A 48 -0.765 1.483 -6.000 1.00 0.00 H new ATOM 734 N ASP A 49 0.735 5.878 -6.096 1.00 0.00 N ATOM 735 CA ASP A 49 1.286 7.203 -5.839 1.00 0.00 C ATOM 736 C ASP A 49 0.765 8.221 -6.846 1.00 0.00 C ATOM 737 O ASP A 49 1.474 8.609 -7.774 1.00 0.00 O ATOM 738 CB ASP A 49 2.816 7.164 -5.875 1.00 0.00 C ATOM 739 CG ASP A 49 3.488 8.476 -5.490 1.00 0.00 C ATOM 740 OD1 ASP A 49 2.799 9.368 -5.052 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.694 8.524 -5.488 1.00 0.00 O ATOM 0 H ASP A 49 1.391 5.225 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 49 0.963 7.511 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.163 6.381 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.137 6.886 -6.879 1.00 0.00 H new ATOM 746 N THR A 50 -0.478 8.649 -6.656 1.00 0.00 N ATOM 747 CA THR A 50 -1.120 9.574 -7.584 1.00 0.00 C ATOM 748 C THR A 50 -0.592 10.991 -7.404 1.00 0.00 C ATOM 749 O THR A 50 -0.635 11.802 -8.329 1.00 0.00 O ATOM 750 CB THR A 50 -2.649 9.579 -7.408 1.00 0.00 C ATOM 751 OG1 THR A 50 -2.979 10.024 -6.086 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.217 8.186 -7.627 1.00 0.00 C ATOM 0 H THR A 50 -1.062 8.370 -5.867 1.00 0.00 H new ATOM 0 HA THR A 50 -0.881 9.227 -8.589 1.00 0.00 H new ATOM 0 HB THR A 50 -3.082 10.255 -8.145 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.197 9.926 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.299 8.210 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.979 7.851 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.781 7.497 -6.904 1.00 0.00 H new ATOM 760 N ASP A 51 -0.095 11.284 -6.208 1.00 0.00 N ATOM 761 CA ASP A 51 0.535 12.570 -5.934 1.00 0.00 C ATOM 762 C ASP A 51 1.950 12.620 -6.495 1.00 0.00 C ATOM 763 O ASP A 51 2.551 13.691 -6.594 1.00 0.00 O ATOM 764 CB ASP A 51 0.557 12.847 -4.429 1.00 0.00 C ATOM 765 CG ASP A 51 -0.802 13.191 -3.832 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.704 13.475 -4.584 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.970 13.015 -2.650 1.00 0.00 O ATOM 0 H ASP A 51 -0.116 10.647 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.056 13.342 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.954 11.971 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.245 13.670 -4.233 1.00 0.00 H new ATOM 772 N LYS A 52 2.477 11.457 -6.862 1.00 0.00 N ATOM 773 CA LYS A 52 3.820 11.368 -7.424 1.00 0.00 C ATOM 774 C LYS A 52 4.848 12.003 -6.496 1.00 0.00 C ATOM 775 O LYS A 52 5.739 12.726 -6.943 1.00 0.00 O ATOM 776 CB LYS A 52 3.871 12.035 -8.799 1.00 0.00 C ATOM 777 CG LYS A 52 2.932 11.422 -9.830 1.00 0.00 C ATOM 778 CD LYS A 52 3.041 12.135 -11.170 1.00 0.00 C ATOM 779 CE LYS A 52 2.057 11.566 -12.182 1.00 0.00 C ATOM 780 NZ LYS A 52 2.094 12.307 -13.472 1.00 0.00 N ATOM 0 H LYS A 52 1.994 10.562 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 52 4.066 10.312 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.628 13.091 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.892 11.982 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.168 10.366 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.905 11.478 -9.468 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.851 13.200 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.057 12.039 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.287 10.516 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.049 11.606 -11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.409 11.888 -14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.850 13.304 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.049 12.248 -13.879 1.00 0.00 H new ATOM 794 N ASN A 53 4.720 11.728 -5.202 1.00 0.00 N ATOM 795 CA ASN A 53 5.602 12.318 -4.202 1.00 0.00 C ATOM 796 C ASN A 53 6.654 11.318 -3.737 1.00 0.00 C ATOM 797 O ASN A 53 7.478 11.626 -2.877 1.00 0.00 O ATOM 798 CB ASN A 53 4.820 12.848 -3.015 1.00 0.00 C ATOM 799 CG ASN A 53 4.101 11.779 -2.238 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.161 10.591 -2.577 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.357 12.203 -1.250 1.00 0.00 N ATOM 0 H ASN A 53 4.013 11.099 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 53 6.110 13.158 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.503 13.373 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.093 13.580 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.790 11.542 -0.718 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.343 13.194 -1.011 1.00 0.00 H new ATOM 808 N GLY A 54 6.619 10.121 -4.312 1.00 0.00 N ATOM 809 CA GLY A 54 7.623 9.104 -4.023 1.00 0.00 C ATOM 810 C GLY A 54 7.096 8.073 -3.033 1.00 0.00 C ATOM 811 O GLY A 54 7.724 7.040 -2.805 1.00 0.00 O ATOM 0 H GLY A 54 5.906 9.831 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.917 8.607 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.517 9.577 -3.617 1.00 0.00 H new ATOM 815 N ARG A 55 5.938 8.361 -2.449 1.00 0.00 N ATOM 816 CA ARG A 55 5.358 7.495 -1.430 1.00 0.00 C ATOM 817 C ARG A 55 3.859 7.325 -1.638 1.00 0.00 C ATOM 818 O ARG A 55 3.223 8.127 -2.321 1.00 0.00 O ATOM 819 CB ARG A 55 5.675 7.975 -0.021 1.00 0.00 C ATOM 820 CG ARG A 55 7.156 8.048 0.313 1.00 0.00 C ATOM 821 CD ARG A 55 7.826 6.726 0.410 1.00 0.00 C ATOM 822 NE ARG A 55 9.203 6.781 0.877 1.00 0.00 N ATOM 823 CZ ARG A 55 10.272 6.991 0.084 1.00 0.00 C ATOM 824 NH1 ARG A 55 10.134 7.128 -1.216 1.00 0.00 N ATOM 825 NH2 ARG A 55 11.467 7.033 0.646 1.00 0.00 N ATOM 0 H ARG A 55 5.382 9.189 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 55 5.822 6.515 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.237 8.964 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.189 7.309 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.660 8.643 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.278 8.574 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.252 6.090 1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.807 6.250 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 55 9.371 6.651 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.207 7.076 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.954 7.286 -1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.561 6.908 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.295 7.190 0.072 1.00 0.00 H new ATOM 839 N ILE A 56 3.300 6.276 -1.043 1.00 0.00 N ATOM 840 CA ILE A 56 1.854 6.085 -1.030 1.00 0.00 C ATOM 841 C ILE A 56 1.229 6.700 0.215 1.00 0.00 C ATOM 842 O ILE A 56 1.557 6.319 1.340 1.00 0.00 O ATOM 843 CB ILE A 56 1.481 4.592 -1.096 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.930 3.988 -2.429 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.016 4.410 -0.902 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.775 2.487 -2.501 1.00 0.00 C ATOM 0 H ILE A 56 3.826 5.545 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 56 1.463 6.587 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 56 1.997 4.069 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.354 4.442 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.976 4.245 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.263 3.350 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.308 4.806 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.552 4.944 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.113 2.133 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.373 2.021 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.727 2.222 -2.363 1.00 0.00 H new ATOM 858 N ASP A 57 0.327 7.654 0.009 1.00 0.00 N ATOM 859 CA ASP A 57 -0.303 8.364 1.115 1.00 0.00 C ATOM 860 C ASP A 57 -1.390 7.519 1.765 1.00 0.00 C ATOM 861 O ASP A 57 -1.740 6.449 1.266 1.00 0.00 O ATOM 862 CB ASP A 57 -0.889 9.694 0.633 1.00 0.00 C ATOM 863 CG ASP A 57 -0.988 10.766 1.712 1.00 0.00 C ATOM 864 OD1 ASP A 57 -0.684 10.471 2.844 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.212 11.903 1.372 1.00 0.00 O ATOM 0 H ASP A 57 0.016 7.953 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 57 0.465 8.565 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.275 10.073 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.884 9.513 0.226 1.00 0.00 H new ATOM 870 N PHE A 58 -1.921 8.004 2.882 1.00 0.00 N ATOM 871 CA PHE A 58 -2.993 7.310 3.587 1.00 0.00 C ATOM 872 C PHE A 58 -4.209 7.120 2.689 1.00 0.00 C ATOM 873 O PHE A 58 -4.722 6.010 2.548 1.00 0.00 O ATOM 874 CB PHE A 58 -3.386 8.077 4.851 1.00 0.00 C ATOM 875 CG PHE A 58 -4.575 7.499 5.564 1.00 0.00 C ATOM 876 CD1 PHE A 58 -4.447 6.360 6.346 1.00 0.00 C ATOM 877 CD2 PHE A 58 -5.824 8.091 5.454 1.00 0.00 C ATOM 878 CE1 PHE A 58 -5.541 5.827 7.003 1.00 0.00 C ATOM 879 CE2 PHE A 58 -6.918 7.562 6.111 1.00 0.00 C ATOM 880 CZ PHE A 58 -6.776 6.429 6.885 1.00 0.00 C ATOM 0 H PHE A 58 -1.626 8.877 3.320 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.623 6.325 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.537 8.093 5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.601 9.112 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.482 5.884 6.443 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.943 8.976 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.428 4.940 7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.884 8.035 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.631 6.014 7.398 1.00 0.00 H new ATOM 890 N ASP A 59 -4.666 8.211 2.083 1.00 0.00 N ATOM 891 CA ASP A 59 -5.813 8.163 1.184 1.00 0.00 C ATOM 892 C ASP A 59 -5.529 7.284 -0.026 1.00 0.00 C ATOM 893 O ASP A 59 -6.398 6.545 -0.487 1.00 0.00 O ATOM 894 CB ASP A 59 -6.197 9.574 0.730 1.00 0.00 C ATOM 895 CG ASP A 59 -6.874 10.418 1.802 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.265 9.867 2.805 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.855 11.619 1.684 1.00 0.00 O ATOM 0 H ASP A 59 -4.259 9.139 2.198 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.648 7.727 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.299 10.091 0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.863 9.497 -0.129 1.00 0.00 H new ATOM 902 N GLU A 60 -4.305 7.369 -0.538 1.00 0.00 N ATOM 903 CA GLU A 60 -3.891 6.549 -1.671 1.00 0.00 C ATOM 904 C GLU A 60 -3.817 5.077 -1.288 1.00 0.00 C ATOM 905 O GLU A 60 -4.100 4.199 -2.103 1.00 0.00 O ATOM 906 CB GLU A 60 -2.537 7.022 -2.207 1.00 0.00 C ATOM 907 CG GLU A 60 -2.576 8.372 -2.910 1.00 0.00 C ATOM 908 CD GLU A 60 -1.190 8.861 -3.229 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.249 8.256 -2.777 1.00 0.00 O ATOM 910 OE2 GLU A 60 -1.070 9.770 -4.016 1.00 0.00 O ATOM 0 H GLU A 60 -3.583 7.997 -0.186 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.641 6.659 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.831 7.078 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.154 6.275 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.156 8.289 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.084 9.100 -2.277 1.00 0.00 H new ATOM 917 N PHE A 61 -3.434 4.813 -0.044 1.00 0.00 N ATOM 918 CA PHE A 61 -3.450 3.457 0.491 1.00 0.00 C ATOM 919 C PHE A 61 -4.867 2.893 0.522 1.00 0.00 C ATOM 920 O PHE A 61 -5.101 1.755 0.118 1.00 0.00 O ATOM 921 CB PHE A 61 -2.843 3.427 1.895 1.00 0.00 C ATOM 922 CG PHE A 61 -2.896 2.077 2.551 1.00 0.00 C ATOM 923 CD1 PHE A 61 -1.927 1.122 2.282 1.00 0.00 C ATOM 924 CD2 PHE A 61 -3.913 1.760 3.437 1.00 0.00 C ATOM 925 CE1 PHE A 61 -1.974 -0.122 2.885 1.00 0.00 C ATOM 926 CE2 PHE A 61 -3.962 0.519 4.042 1.00 0.00 C ATOM 927 CZ PHE A 61 -2.992 -0.422 3.765 1.00 0.00 C ATOM 0 H PHE A 61 -3.108 5.521 0.614 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.848 2.832 -0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.804 3.752 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.368 4.146 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.127 1.352 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.676 2.492 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.214 -0.858 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.760 0.286 4.732 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.030 -1.393 4.237 1.00 0.00 H new ATOM 937 N LEU A 62 -5.807 3.698 1.003 1.00 0.00 N ATOM 938 CA LEU A 62 -7.211 3.306 1.030 1.00 0.00 C ATOM 939 C LEU A 62 -7.713 2.957 -0.365 1.00 0.00 C ATOM 940 O LEU A 62 -8.424 1.969 -0.550 1.00 0.00 O ATOM 941 CB LEU A 62 -8.063 4.425 1.640 1.00 0.00 C ATOM 942 CG LEU A 62 -8.331 4.298 3.145 1.00 0.00 C ATOM 943 CD1 LEU A 62 -7.067 3.843 3.863 1.00 0.00 C ATOM 944 CD2 LEU A 62 -8.811 5.634 3.692 1.00 0.00 C ATOM 0 H LEU A 62 -5.622 4.627 1.380 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.301 2.415 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.568 5.378 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.020 4.456 1.119 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.107 3.552 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.267 3.756 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.755 2.875 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.274 4.573 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.001 5.542 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.046 6.392 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.730 5.926 3.184 1.00 0.00 H new ATOM 956 N LYS A 63 -7.340 3.774 -1.343 1.00 0.00 N ATOM 957 CA LYS A 63 -7.720 3.531 -2.730 1.00 0.00 C ATOM 958 C LYS A 63 -7.040 2.283 -3.278 1.00 0.00 C ATOM 959 O LYS A 63 -7.635 1.526 -4.045 1.00 0.00 O ATOM 960 CB LYS A 63 -7.376 4.742 -3.599 1.00 0.00 C ATOM 961 CG LYS A 63 -8.230 5.973 -3.329 1.00 0.00 C ATOM 962 CD LYS A 63 -7.804 7.145 -4.200 1.00 0.00 C ATOM 963 CE LYS A 63 -8.579 8.407 -3.850 1.00 0.00 C ATOM 964 NZ LYS A 63 -8.109 9.582 -4.634 1.00 0.00 N ATOM 0 H LYS A 63 -6.774 4.611 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.798 3.370 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.329 5.000 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.483 4.464 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.278 5.739 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.149 6.250 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.736 7.325 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.964 6.897 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.640 8.245 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.473 8.615 -2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.662 10.421 -4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.103 9.752 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.234 9.394 -5.649 1.00 0.00 H new ATOM 978 N MET A 64 -5.789 2.074 -2.880 1.00 0.00 N ATOM 979 CA MET A 64 -5.041 0.893 -3.295 1.00 0.00 C ATOM 980 C MET A 64 -5.671 -0.380 -2.747 1.00 0.00 C ATOM 981 O MET A 64 -5.801 -1.376 -3.458 1.00 0.00 O ATOM 982 CB MET A 64 -3.587 1.003 -2.838 1.00 0.00 C ATOM 983 CG MET A 64 -2.723 -0.199 -3.193 1.00 0.00 C ATOM 984 SD MET A 64 -2.909 -1.559 -2.023 1.00 0.00 S ATOM 985 CE MET A 64 -2.098 -0.877 -0.580 1.00 0.00 C ATOM 0 H MET A 64 -5.272 2.708 -2.270 1.00 0.00 H new ATOM 0 HA MET A 64 -5.070 0.840 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.146 1.896 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.568 1.142 -1.757 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.984 -0.547 -4.193 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.677 0.107 -3.225 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.375 -1.596 -0.195 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.584 0.044 -0.853 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.841 -0.663 0.188 1.00 0.00 H new ATOM 995 N MET A 65 -6.064 -0.340 -1.477 1.00 0.00 N ATOM 996 CA MET A 65 -6.623 -1.511 -0.812 1.00 0.00 C ATOM 997 C MET A 65 -7.896 -1.982 -1.504 1.00 0.00 C ATOM 998 O MET A 65 -8.168 -3.180 -1.576 1.00 0.00 O ATOM 999 CB MET A 65 -6.905 -1.199 0.656 1.00 0.00 C ATOM 1000 CG MET A 65 -5.661 -1.084 1.525 1.00 0.00 C ATOM 1001 SD MET A 65 -4.755 -2.639 1.651 1.00 0.00 S ATOM 1002 CE MET A 65 -5.891 -3.615 2.633 1.00 0.00 C ATOM 0 H MET A 65 -6.005 0.491 -0.889 1.00 0.00 H new ATOM 0 HA MET A 65 -5.890 -2.315 -0.871 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.462 -0.264 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.547 -1.980 1.064 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.004 -0.318 1.113 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.949 -0.754 2.523 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.348 -4.424 3.121 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.355 -2.982 3.389 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.663 -4.034 1.987 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.673 -1.033 -2.014 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.882 -1.352 -2.763 1.00 0.00 C ATOM 1014 C GLU A 66 -9.546 -1.964 -4.116 1.00 0.00 C ATOM 1015 O GLU A 66 -10.355 -2.684 -4.702 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.742 -0.101 -2.951 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.405 0.404 -1.678 1.00 0.00 C ATOM 1018 CD GLU A 66 -12.199 1.655 -1.934 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -12.175 2.135 -3.042 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.919 2.069 -1.056 1.00 0.00 O ATOM 0 H GLU A 66 -8.486 -0.034 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.446 -2.086 -2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.120 0.694 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.515 -0.314 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.060 -0.369 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.644 0.602 -0.923 1.00 0.00 H new