USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 690 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 46 TYR OH : rot 174:sc= 1.57 USER MOD Set 1.2: A 61 THR OG1 : rot 70:sc= 1.6 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 9 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.8!) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc=-0.00902 (180deg=-0.172) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.993 F(o=-2!,f=-0.99) USER MOD Single : A 26 SER OG : rot 154:sc= -0.784 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 37 CYS SG : rot 100:sc= -1.89 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -17.1! C(o=-17!,f=-19!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 110:sc= -0.6 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 144:sc= -0.344 (180deg=-0.872) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -3.16! C(o=-4!,f=-3.2!) USER MOD Single : A 64 THR OG1 : rot 93:sc= -2.65! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -11.5! C(o=-12!,f=-15!) USER MOD Single : A 74 SER OG : rot 123:sc= -0.244! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.845 -24.010 -3.067 1.00 0.00 N ATOM 2 CA GLY A 1 -5.441 -24.386 -3.074 1.00 0.00 C ATOM 3 C GLY A 1 -4.702 -23.723 -4.239 1.00 0.00 C ATOM 4 O GLY A 1 -4.469 -22.516 -4.224 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.324 -24.472 -2.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.927 -22.978 -2.970 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.289 -24.311 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.978 -24.094 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.351 -25.470 -3.151 1.00 0.00 H new ATOM 8 N SER A 2 -4.354 -24.543 -5.220 1.00 0.00 N ATOM 9 CA SER A 2 -3.646 -24.051 -6.389 1.00 0.00 C ATOM 10 C SER A 2 -2.315 -23.422 -5.970 1.00 0.00 C ATOM 11 O SER A 2 -2.296 -22.424 -5.251 1.00 0.00 O ATOM 12 CB SER A 2 -4.493 -23.036 -7.160 1.00 0.00 C ATOM 13 OG SER A 2 -3.870 -22.636 -8.377 1.00 0.00 O ATOM 0 H SER A 2 -4.549 -25.544 -5.229 1.00 0.00 H new ATOM 0 HA SER A 2 -3.449 -24.896 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.469 -23.469 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.666 -22.159 -6.536 1.00 0.00 H new ATOM 0 HG SER A 2 -4.442 -21.989 -8.840 1.00 0.00 H new ATOM 19 N SER A 3 -1.236 -24.032 -6.437 1.00 0.00 N ATOM 20 CA SER A 3 0.095 -23.544 -6.120 1.00 0.00 C ATOM 21 C SER A 3 0.336 -23.624 -4.611 1.00 0.00 C ATOM 22 O SER A 3 -0.451 -23.098 -3.825 1.00 0.00 O ATOM 23 CB SER A 3 0.288 -22.109 -6.613 1.00 0.00 C ATOM 24 OG SER A 3 1.521 -21.944 -7.309 1.00 0.00 O ATOM 0 H SER A 3 -1.256 -24.860 -7.032 1.00 0.00 H new ATOM 0 HA SER A 3 0.821 -24.175 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.538 -21.837 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.257 -21.427 -5.763 1.00 0.00 H new ATOM 0 HG SER A 3 1.606 -21.015 -7.609 1.00 0.00 H new ATOM 30 N GLY A 4 1.427 -24.284 -4.252 1.00 0.00 N ATOM 31 CA GLY A 4 1.780 -24.439 -2.851 1.00 0.00 C ATOM 32 C GLY A 4 2.725 -23.325 -2.398 1.00 0.00 C ATOM 33 O GLY A 4 2.380 -22.531 -1.524 1.00 0.00 O ATOM 0 H GLY A 4 2.078 -24.717 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.877 -24.425 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.254 -25.408 -2.697 1.00 0.00 H new ATOM 37 N SER A 5 3.899 -23.301 -3.012 1.00 0.00 N ATOM 38 CA SER A 5 4.896 -22.297 -2.683 1.00 0.00 C ATOM 39 C SER A 5 4.269 -20.902 -2.727 1.00 0.00 C ATOM 40 O SER A 5 4.151 -20.237 -1.699 1.00 0.00 O ATOM 41 CB SER A 5 6.090 -22.373 -3.636 1.00 0.00 C ATOM 42 OG SER A 5 7.270 -22.826 -2.979 1.00 0.00 O ATOM 0 H SER A 5 4.182 -23.961 -3.736 1.00 0.00 H new ATOM 0 HA SER A 5 5.258 -22.493 -1.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.853 -23.046 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.271 -21.389 -4.069 1.00 0.00 H new ATOM 0 HG SER A 5 8.009 -22.862 -3.622 1.00 0.00 H new ATOM 48 N SER A 6 3.882 -20.500 -3.929 1.00 0.00 N ATOM 49 CA SER A 6 3.270 -19.197 -4.121 1.00 0.00 C ATOM 50 C SER A 6 1.976 -19.101 -3.310 1.00 0.00 C ATOM 51 O SER A 6 1.746 -18.112 -2.616 1.00 0.00 O ATOM 52 CB SER A 6 2.989 -18.933 -5.602 1.00 0.00 C ATOM 53 OG SER A 6 4.134 -19.177 -6.415 1.00 0.00 O ATOM 0 H SER A 6 3.981 -21.054 -4.780 1.00 0.00 H new ATOM 0 HA SER A 6 3.968 -18.437 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.167 -19.568 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.666 -17.900 -5.731 1.00 0.00 H new ATOM 0 HG SER A 6 3.913 -18.999 -7.353 1.00 0.00 H new ATOM 59 N GLY A 7 1.165 -20.143 -3.425 1.00 0.00 N ATOM 60 CA GLY A 7 -0.099 -20.189 -2.711 1.00 0.00 C ATOM 61 C GLY A 7 0.056 -19.656 -1.285 1.00 0.00 C ATOM 62 O GLY A 7 -0.890 -19.116 -0.714 1.00 0.00 O ATOM 0 H GLY A 7 1.359 -20.961 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.844 -19.598 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.467 -21.215 -2.682 1.00 0.00 H new ATOM 66 N ASP A 8 1.257 -19.827 -0.752 1.00 0.00 N ATOM 67 CA ASP A 8 1.549 -19.370 0.596 1.00 0.00 C ATOM 68 C ASP A 8 1.378 -17.851 0.663 1.00 0.00 C ATOM 69 O ASP A 8 0.566 -17.347 1.438 1.00 0.00 O ATOM 70 CB ASP A 8 2.989 -19.702 0.991 1.00 0.00 C ATOM 71 CG ASP A 8 3.294 -19.584 2.486 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.643 -18.460 2.907 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.171 -20.620 3.174 1.00 0.00 O ATOM 0 H ASP A 8 2.039 -20.276 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 8 0.864 -19.873 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.213 -20.719 0.669 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.661 -19.040 0.445 1.00 0.00 H new ATOM 78 N GLN A 9 2.157 -17.163 -0.159 1.00 0.00 N ATOM 79 CA GLN A 9 2.103 -15.712 -0.202 1.00 0.00 C ATOM 80 C GLN A 9 0.857 -15.250 -0.961 1.00 0.00 C ATOM 81 O GLN A 9 0.329 -14.171 -0.696 1.00 0.00 O ATOM 82 CB GLN A 9 3.373 -15.134 -0.831 1.00 0.00 C ATOM 83 CG GLN A 9 3.443 -15.461 -2.324 1.00 0.00 C ATOM 84 CD GLN A 9 4.401 -14.513 -3.047 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.600 -14.730 -3.111 1.00 0.00 O ATOM 86 NE2 GLN A 9 3.808 -13.452 -3.588 1.00 0.00 N ATOM 0 H GLN A 9 2.829 -17.584 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 9 2.042 -15.340 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.393 -14.053 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.250 -15.538 -0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.773 -16.491 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.449 -15.385 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.799 -13.330 -3.498 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.362 -12.760 -4.093 1.00 0.00 H new ATOM 95 N LYS A 10 0.423 -16.090 -1.889 1.00 0.00 N ATOM 96 CA LYS A 10 -0.751 -15.782 -2.688 1.00 0.00 C ATOM 97 C LYS A 10 -1.917 -15.434 -1.760 1.00 0.00 C ATOM 98 O LYS A 10 -2.709 -14.543 -2.061 1.00 0.00 O ATOM 99 CB LYS A 10 -1.056 -16.926 -3.657 1.00 0.00 C ATOM 100 CG LYS A 10 -1.205 -16.407 -5.088 1.00 0.00 C ATOM 101 CD LYS A 10 -0.712 -17.443 -6.101 1.00 0.00 C ATOM 102 CE LYS A 10 -1.720 -17.623 -7.237 1.00 0.00 C ATOM 103 NZ LYS A 10 -2.953 -18.272 -6.738 1.00 0.00 N ATOM 0 H LYS A 10 0.863 -16.984 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.568 -14.908 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.256 -17.665 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.973 -17.431 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.250 -16.169 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.640 -15.482 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.249 -17.129 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.549 -18.397 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.963 -16.654 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.279 -18.227 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.455 -18.719 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.704 -18.996 -6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.567 -17.558 -6.298 1.00 0.00 H new ATOM 117 N LYS A 11 -1.984 -16.156 -0.651 1.00 0.00 N ATOM 118 CA LYS A 11 -3.040 -15.935 0.322 1.00 0.00 C ATOM 119 C LYS A 11 -2.767 -14.633 1.077 1.00 0.00 C ATOM 120 O LYS A 11 -3.647 -13.781 1.190 1.00 0.00 O ATOM 121 CB LYS A 11 -3.191 -17.155 1.234 1.00 0.00 C ATOM 122 CG LYS A 11 -3.801 -18.335 0.475 1.00 0.00 C ATOM 123 CD LYS A 11 -5.314 -18.405 0.695 1.00 0.00 C ATOM 124 CE LYS A 11 -5.703 -19.697 1.417 1.00 0.00 C ATOM 125 NZ LYS A 11 -7.176 -19.834 1.476 1.00 0.00 N ATOM 0 H LYS A 11 -1.324 -16.894 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.001 -15.818 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.217 -17.439 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.822 -16.901 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.589 -18.236 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.338 -19.264 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.640 -17.545 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.828 -18.352 -0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.273 -20.554 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.291 -19.695 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.423 -20.716 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.580 -19.025 1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.561 -19.858 0.510 1.00 0.00 H new ATOM 139 N PHE A 12 -1.544 -14.519 1.575 1.00 0.00 N ATOM 140 CA PHE A 12 -1.145 -13.335 2.316 1.00 0.00 C ATOM 141 C PHE A 12 -1.360 -12.069 1.484 1.00 0.00 C ATOM 142 O PHE A 12 -2.021 -11.133 1.931 1.00 0.00 O ATOM 143 CB PHE A 12 0.347 -13.482 2.623 1.00 0.00 C ATOM 144 CG PHE A 12 0.991 -12.218 3.196 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.308 -11.183 2.373 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.246 -12.130 4.529 1.00 0.00 C ATOM 147 CE1 PHE A 12 1.906 -10.010 2.905 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.845 -10.957 5.061 1.00 0.00 C ATOM 149 CZ PHE A 12 2.162 -9.922 4.238 1.00 0.00 C ATOM 0 H PHE A 12 -0.817 -15.228 1.480 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.741 -13.246 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.483 -14.300 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.870 -13.761 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.105 -11.253 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.993 -12.952 5.183 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.157 -9.188 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.049 -10.887 6.119 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.617 -9.030 4.643 1.00 0.00 H new ATOM 159 N ILE A 13 -0.789 -12.081 0.288 1.00 0.00 N ATOM 160 CA ILE A 13 -0.910 -10.946 -0.610 1.00 0.00 C ATOM 161 C ILE A 13 -2.391 -10.624 -0.822 1.00 0.00 C ATOM 162 O ILE A 13 -2.806 -9.474 -0.686 1.00 0.00 O ATOM 163 CB ILE A 13 -0.146 -11.207 -1.910 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.172 -9.896 -2.632 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.907 -12.185 -2.807 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.320 -9.155 -1.942 1.00 0.00 C ATOM 0 H ILE A 13 -0.241 -12.859 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.451 -10.061 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 13 0.806 -11.675 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.439 -10.103 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.715 -9.263 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.342 -12.353 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.039 -13.132 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.883 -11.768 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.526 -8.227 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.040 -8.928 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.212 -9.781 -1.946 1.00 0.00 H new ATOM 178 N ASP A 14 -3.148 -11.660 -1.151 1.00 0.00 N ATOM 179 CA ASP A 14 -4.574 -11.502 -1.383 1.00 0.00 C ATOM 180 C ASP A 14 -5.200 -10.765 -0.197 1.00 0.00 C ATOM 181 O ASP A 14 -5.834 -9.726 -0.373 1.00 0.00 O ATOM 182 CB ASP A 14 -5.264 -12.861 -1.513 1.00 0.00 C ATOM 183 CG ASP A 14 -5.857 -13.156 -2.892 1.00 0.00 C ATOM 184 OD1 ASP A 14 -5.076 -13.598 -3.763 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.077 -12.933 -3.046 1.00 0.00 O ATOM 0 H ASP A 14 -2.801 -12.613 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.706 -10.941 -2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.544 -13.642 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.061 -12.919 -0.771 1.00 0.00 H new ATOM 190 N GLN A 15 -5.000 -11.332 0.983 1.00 0.00 N ATOM 191 CA GLN A 15 -5.538 -10.742 2.197 1.00 0.00 C ATOM 192 C GLN A 15 -5.268 -9.236 2.220 1.00 0.00 C ATOM 193 O GLN A 15 -6.113 -8.457 2.659 1.00 0.00 O ATOM 194 CB GLN A 15 -4.959 -11.421 3.440 1.00 0.00 C ATOM 195 CG GLN A 15 -5.431 -12.872 3.542 1.00 0.00 C ATOM 196 CD GLN A 15 -5.995 -13.169 4.933 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.195 -13.251 5.140 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.066 -13.324 5.872 1.00 0.00 N ATOM 0 H GLN A 15 -4.473 -12.194 1.125 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.617 -10.899 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.870 -11.391 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.261 -10.873 4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.194 -13.064 2.788 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.599 -13.544 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.078 -13.242 5.631 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.341 -13.524 6.833 1.00 0.00 H new ATOM 207 N VAL A 16 -4.088 -8.871 1.740 1.00 0.00 N ATOM 208 CA VAL A 16 -3.697 -7.472 1.699 1.00 0.00 C ATOM 209 C VAL A 16 -4.530 -6.745 0.641 1.00 0.00 C ATOM 210 O VAL A 16 -5.092 -5.685 0.910 1.00 0.00 O ATOM 211 CB VAL A 16 -2.191 -7.357 1.457 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.767 -5.893 1.326 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.402 -8.059 2.565 1.00 0.00 C ATOM 0 H VAL A 16 -3.390 -9.520 1.376 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.897 -6.991 2.657 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.964 -7.857 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.692 -5.840 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.291 -5.436 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.015 -5.359 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.334 -7.962 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.637 -7.601 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.672 -9.115 2.591 1.00 0.00 H new ATOM 223 N ILE A 17 -4.582 -7.344 -0.539 1.00 0.00 N ATOM 224 CA ILE A 17 -5.337 -6.766 -1.639 1.00 0.00 C ATOM 225 C ILE A 17 -6.648 -6.188 -1.103 1.00 0.00 C ATOM 226 O ILE A 17 -7.005 -5.054 -1.418 1.00 0.00 O ATOM 227 CB ILE A 17 -5.528 -7.794 -2.756 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.180 -8.326 -3.247 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.366 -7.214 -3.897 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.134 -7.211 -3.295 1.00 0.00 C ATOM 0 H ILE A 17 -4.114 -8.223 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.785 -5.941 -2.089 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.080 -8.642 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.837 -9.123 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.297 -8.762 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.487 -7.965 -4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.346 -6.924 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.863 -6.339 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.186 -7.617 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.468 -6.427 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.002 -6.793 -2.297 1.00 0.00 H new ATOM 242 N GLU A 18 -7.330 -6.995 -0.303 1.00 0.00 N ATOM 243 CA GLU A 18 -8.594 -6.578 0.279 1.00 0.00 C ATOM 244 C GLU A 18 -8.445 -5.211 0.950 1.00 0.00 C ATOM 245 O GLU A 18 -9.145 -4.263 0.597 1.00 0.00 O ATOM 246 CB GLU A 18 -9.112 -7.622 1.271 1.00 0.00 C ATOM 247 CG GLU A 18 -9.682 -8.838 0.539 1.00 0.00 C ATOM 248 CD GLU A 18 -11.131 -8.592 0.113 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.946 -8.298 1.014 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.391 -8.703 -1.105 1.00 0.00 O ATOM 0 H GLU A 18 -7.031 -7.935 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.328 -6.490 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.302 -7.936 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.882 -7.179 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.073 -9.057 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.633 -9.713 1.187 1.00 0.00 H new ATOM 257 N LYS A 19 -7.528 -5.153 1.904 1.00 0.00 N ATOM 258 CA LYS A 19 -7.278 -3.918 2.627 1.00 0.00 C ATOM 259 C LYS A 19 -7.041 -2.785 1.627 1.00 0.00 C ATOM 260 O LYS A 19 -7.496 -1.662 1.836 1.00 0.00 O ATOM 261 CB LYS A 19 -6.135 -4.104 3.627 1.00 0.00 C ATOM 262 CG LYS A 19 -6.443 -5.238 4.607 1.00 0.00 C ATOM 263 CD LYS A 19 -5.158 -5.934 5.061 1.00 0.00 C ATOM 264 CE LYS A 19 -5.156 -6.146 6.577 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.464 -7.407 6.923 1.00 0.00 N ATOM 0 H LYS A 19 -6.949 -5.941 2.193 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.149 -3.642 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.211 -4.322 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.974 -3.177 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.972 -4.841 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.106 -5.963 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.062 -6.895 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.294 -5.335 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.662 -5.307 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.181 -6.173 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.472 -7.535 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.952 -8.206 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.481 -7.367 6.587 1.00 0.00 H new ATOM 279 N ILE A 20 -6.329 -3.120 0.560 1.00 0.00 N ATOM 280 CA ILE A 20 -6.026 -2.144 -0.473 1.00 0.00 C ATOM 281 C ILE A 20 -7.325 -1.707 -1.153 1.00 0.00 C ATOM 282 O ILE A 20 -7.561 -0.515 -1.340 1.00 0.00 O ATOM 283 CB ILE A 20 -4.981 -2.699 -1.444 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.656 -2.970 -0.727 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.803 -1.772 -2.647 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.939 -4.176 -1.338 1.00 0.00 C ATOM 0 H ILE A 20 -5.954 -4.053 0.389 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.579 -1.252 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.342 -3.654 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.016 -2.090 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.842 -3.151 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.055 -2.190 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.752 -1.674 -3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.475 -0.791 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.001 -4.347 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.572 -5.059 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.733 -3.982 -2.391 1.00 0.00 H new ATOM 298 N GLU A 21 -8.134 -2.697 -1.504 1.00 0.00 N ATOM 299 CA GLU A 21 -9.403 -2.429 -2.158 1.00 0.00 C ATOM 300 C GLU A 21 -10.252 -1.485 -1.305 1.00 0.00 C ATOM 301 O GLU A 21 -10.718 -0.454 -1.789 1.00 0.00 O ATOM 302 CB GLU A 21 -10.154 -3.730 -2.449 1.00 0.00 C ATOM 303 CG GLU A 21 -9.557 -4.449 -3.661 1.00 0.00 C ATOM 304 CD GLU A 21 -10.658 -4.967 -4.588 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.354 -4.111 -5.177 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.779 -6.207 -4.689 1.00 0.00 O ATOM 0 H GLU A 21 -7.935 -3.685 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.202 -1.942 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.110 -4.382 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.206 -3.513 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.906 -3.767 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.937 -5.281 -3.326 1.00 0.00 H new ATOM 313 N ASP A 22 -10.427 -1.870 -0.049 1.00 0.00 N ATOM 314 CA ASP A 22 -11.211 -1.070 0.876 1.00 0.00 C ATOM 315 C ASP A 22 -10.640 0.348 0.929 1.00 0.00 C ATOM 316 O ASP A 22 -11.377 1.310 1.141 1.00 0.00 O ATOM 317 CB ASP A 22 -11.160 -1.654 2.290 1.00 0.00 C ATOM 318 CG ASP A 22 -12.440 -1.480 3.109 1.00 0.00 C ATOM 319 OD1 ASP A 22 -12.877 -0.316 3.238 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.953 -2.515 3.587 1.00 0.00 O ATOM 0 H ASP A 22 -10.039 -2.725 0.349 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.243 -1.064 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.934 -2.718 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.335 -1.188 2.830 1.00 0.00 H new ATOM 325 N PHE A 23 -9.332 0.432 0.734 1.00 0.00 N ATOM 326 CA PHE A 23 -8.654 1.717 0.757 1.00 0.00 C ATOM 327 C PHE A 23 -8.884 2.482 -0.548 1.00 0.00 C ATOM 328 O PHE A 23 -8.785 3.708 -0.579 1.00 0.00 O ATOM 329 CB PHE A 23 -7.158 1.430 0.910 1.00 0.00 C ATOM 330 CG PHE A 23 -6.254 2.478 0.258 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.254 3.758 0.718 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.451 2.130 -0.783 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.415 4.730 0.113 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.612 3.103 -1.388 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.611 4.382 -0.927 1.00 0.00 C ATOM 0 H PHE A 23 -8.724 -0.368 0.559 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.038 2.326 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.917 1.367 1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.939 0.455 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.893 4.035 1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.451 1.114 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.415 5.746 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.974 2.827 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.972 5.121 -1.387 1.00 0.00 H new ATOM 345 N LEU A 24 -9.187 1.727 -1.593 1.00 0.00 N ATOM 346 CA LEU A 24 -9.431 2.319 -2.898 1.00 0.00 C ATOM 347 C LEU A 24 -10.931 2.576 -3.063 1.00 0.00 C ATOM 348 O LEU A 24 -11.331 3.547 -3.703 1.00 0.00 O ATOM 349 CB LEU A 24 -8.832 1.447 -4.003 1.00 0.00 C ATOM 350 CG LEU A 24 -7.326 1.188 -3.910 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.919 0.003 -4.787 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.531 2.451 -4.246 1.00 0.00 C ATOM 0 H LEU A 24 -9.269 0.711 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.930 3.284 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.347 0.486 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.041 1.918 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.087 0.923 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.845 -0.160 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.448 -0.891 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.174 0.215 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.464 2.240 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.768 2.771 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.793 3.243 -3.545 1.00 0.00 H new ATOM 364 N GLN A 25 -11.719 1.688 -2.475 1.00 0.00 N ATOM 365 CA GLN A 25 -13.165 1.806 -2.549 1.00 0.00 C ATOM 366 C GLN A 25 -13.636 3.046 -1.785 1.00 0.00 C ATOM 367 O GLN A 25 -14.565 3.728 -2.214 1.00 0.00 O ATOM 368 CB GLN A 25 -13.847 0.544 -2.018 1.00 0.00 C ATOM 369 CG GLN A 25 -14.045 0.623 -0.503 1.00 0.00 C ATOM 370 CD GLN A 25 -14.777 -0.615 0.020 1.00 0.00 C ATOM 371 OE1 GLN A 25 -14.244 -1.767 -0.379 1.00 0.00 O flip ATOM 372 NE2 GLN A 25 -15.760 -0.530 0.737 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.383 0.884 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.447 1.918 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.812 0.414 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.244 -0.330 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.077 0.713 -0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.614 1.519 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.117 0.387 1.006 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.225 -1.376 1.068 1.00 0.00 H new ATOM 381 N SER A 26 -12.973 3.299 -0.666 1.00 0.00 N ATOM 382 CA SER A 26 -13.312 4.445 0.161 1.00 0.00 C ATOM 383 C SER A 26 -12.911 5.740 -0.548 1.00 0.00 C ATOM 384 O SER A 26 -11.988 5.746 -1.361 1.00 0.00 O ATOM 385 CB SER A 26 -12.633 4.356 1.529 1.00 0.00 C ATOM 386 OG SER A 26 -13.349 5.077 2.528 1.00 0.00 O ATOM 0 H SER A 26 -12.203 2.730 -0.313 1.00 0.00 H new ATOM 0 HA SER A 26 -14.390 4.445 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.551 3.310 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.618 4.748 1.456 1.00 0.00 H new ATOM 0 HG SER A 26 -13.164 4.688 3.408 1.00 0.00 H new ATOM 392 N GLU A 27 -13.625 6.805 -0.215 1.00 0.00 N ATOM 393 CA GLU A 27 -13.355 8.103 -0.810 1.00 0.00 C ATOM 394 C GLU A 27 -12.371 8.890 0.058 1.00 0.00 C ATOM 395 O GLU A 27 -11.242 9.148 -0.355 1.00 0.00 O ATOM 396 CB GLU A 27 -14.651 8.889 -1.021 1.00 0.00 C ATOM 397 CG GLU A 27 -14.365 10.384 -1.176 1.00 0.00 C ATOM 398 CD GLU A 27 -15.651 11.161 -1.468 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.339 11.509 -0.484 1.00 0.00 O ATOM 400 OE2 GLU A 27 -15.917 11.388 -2.668 1.00 0.00 O ATOM 0 H GLU A 27 -14.390 6.796 0.459 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.901 7.946 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.165 8.519 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.320 8.729 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.904 10.766 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.650 10.539 -1.984 1.00 0.00 H new ATOM 407 N GLU A 28 -12.836 9.251 1.246 1.00 0.00 N ATOM 408 CA GLU A 28 -12.011 10.003 2.175 1.00 0.00 C ATOM 409 C GLU A 28 -10.590 9.437 2.203 1.00 0.00 C ATOM 410 O GLU A 28 -9.619 10.181 2.077 1.00 0.00 O ATOM 411 CB GLU A 28 -12.627 10.007 3.576 1.00 0.00 C ATOM 412 CG GLU A 28 -12.993 11.428 4.010 1.00 0.00 C ATOM 413 CD GLU A 28 -13.574 11.436 5.425 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.612 10.767 5.617 1.00 0.00 O ATOM 415 OE2 GLU A 28 -12.966 12.111 6.284 1.00 0.00 O ATOM 0 H GLU A 28 -13.774 9.036 1.586 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.962 11.036 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.518 9.379 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.923 9.575 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.108 12.063 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.717 11.850 3.313 1.00 0.00 H new ATOM 422 N LYS A 29 -10.514 8.124 2.368 1.00 0.00 N ATOM 423 CA LYS A 29 -9.228 7.449 2.413 1.00 0.00 C ATOM 424 C LYS A 29 -8.296 8.064 1.367 1.00 0.00 C ATOM 425 O LYS A 29 -8.649 8.151 0.191 1.00 0.00 O ATOM 426 CB LYS A 29 -9.410 5.938 2.261 1.00 0.00 C ATOM 427 CG LYS A 29 -10.262 5.371 3.399 1.00 0.00 C ATOM 428 CD LYS A 29 -10.098 3.854 3.504 1.00 0.00 C ATOM 429 CE LYS A 29 -10.247 3.384 4.952 1.00 0.00 C ATOM 430 NZ LYS A 29 -9.672 2.031 5.121 1.00 0.00 N ATOM 0 H LYS A 29 -11.322 7.510 2.472 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.756 7.594 3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.884 5.720 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.436 5.450 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.974 5.837 4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.311 5.616 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.843 3.360 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.119 3.563 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.746 4.084 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.301 3.375 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.782 1.728 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.168 1.363 4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.662 2.050 4.875 1.00 0.00 H new ATOM 444 N ARG A 30 -7.126 8.476 1.832 1.00 0.00 N ATOM 445 CA ARG A 30 -6.142 9.081 0.951 1.00 0.00 C ATOM 446 C ARG A 30 -4.867 8.235 0.919 1.00 0.00 C ATOM 447 O ARG A 30 -4.227 8.109 -0.124 1.00 0.00 O ATOM 448 CB ARG A 30 -5.793 10.500 1.406 1.00 0.00 C ATOM 449 CG ARG A 30 -6.911 11.481 1.048 1.00 0.00 C ATOM 450 CD ARG A 30 -6.626 12.174 -0.286 1.00 0.00 C ATOM 451 NE ARG A 30 -6.537 13.638 -0.087 1.00 0.00 N ATOM 452 CZ ARG A 30 -5.419 14.279 0.280 1.00 0.00 C ATOM 453 NH1 ARG A 30 -4.289 13.590 0.489 1.00 0.00 N ATOM 454 NH2 ARG A 30 -5.431 15.610 0.437 1.00 0.00 N ATOM 0 H ARG A 30 -6.837 8.403 2.808 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.576 9.129 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.627 10.510 2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.862 10.817 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.861 10.950 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.011 12.228 1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.694 11.799 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.416 11.943 -1.001 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.379 14.193 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.280 12.577 0.369 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.438 14.078 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.291 16.135 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.580 16.098 0.716 1.00 0.00 H new ATOM 468 N SER A 31 -4.536 7.677 2.074 1.00 0.00 N ATOM 469 CA SER A 31 -3.350 6.847 2.192 1.00 0.00 C ATOM 470 C SER A 31 -3.594 5.725 3.203 1.00 0.00 C ATOM 471 O SER A 31 -4.047 5.978 4.319 1.00 0.00 O ATOM 472 CB SER A 31 -2.134 7.679 2.606 1.00 0.00 C ATOM 473 OG SER A 31 -2.325 9.067 2.348 1.00 0.00 O ATOM 0 H SER A 31 -5.069 7.784 2.937 1.00 0.00 H new ATOM 0 HA SER A 31 -3.142 6.409 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.938 7.531 3.668 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.254 7.328 2.067 1.00 0.00 H new ATOM 0 HG SER A 31 -1.528 9.564 2.627 1.00 0.00 H new ATOM 479 N LEU A 32 -3.284 4.510 2.777 1.00 0.00 N ATOM 480 CA LEU A 32 -3.464 3.348 3.631 1.00 0.00 C ATOM 481 C LEU A 32 -2.138 3.014 4.318 1.00 0.00 C ATOM 482 O LEU A 32 -1.072 3.387 3.830 1.00 0.00 O ATOM 483 CB LEU A 32 -4.055 2.183 2.835 1.00 0.00 C ATOM 484 CG LEU A 32 -4.615 1.022 3.659 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.889 1.438 4.396 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.835 -0.215 2.785 1.00 0.00 C ATOM 0 H LEU A 32 -2.909 4.304 1.851 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.186 3.563 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.853 2.570 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.282 1.793 2.173 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.878 0.753 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.267 0.595 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.667 2.268 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.643 1.749 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.233 -1.025 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.542 0.022 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.886 -0.524 2.346 1.00 0.00 H new ATOM 498 N GLU A 33 -2.248 2.316 5.438 1.00 0.00 N ATOM 499 CA GLU A 33 -1.070 1.927 6.196 1.00 0.00 C ATOM 500 C GLU A 33 -1.104 0.428 6.498 1.00 0.00 C ATOM 501 O GLU A 33 -1.986 -0.045 7.213 1.00 0.00 O ATOM 502 CB GLU A 33 -0.954 2.744 7.485 1.00 0.00 C ATOM 503 CG GLU A 33 -1.185 4.232 7.214 1.00 0.00 C ATOM 504 CD GLU A 33 -0.986 5.058 8.486 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.526 4.632 9.530 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.298 6.097 8.386 1.00 0.00 O ATOM 0 H GLU A 33 -3.134 2.009 5.839 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.187 2.135 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.682 2.386 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.033 2.600 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.497 4.576 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.195 4.383 6.832 1.00 0.00 H new ATOM 513 N LEU A 34 -0.133 -0.278 5.938 1.00 0.00 N ATOM 514 CA LEU A 34 -0.040 -1.714 6.139 1.00 0.00 C ATOM 515 C LEU A 34 0.914 -2.002 7.299 1.00 0.00 C ATOM 516 O LEU A 34 1.511 -1.084 7.859 1.00 0.00 O ATOM 517 CB LEU A 34 0.349 -2.413 4.834 1.00 0.00 C ATOM 518 CG LEU A 34 -0.784 -2.641 3.832 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.231 -3.004 2.452 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.771 -3.690 4.348 1.00 0.00 C ATOM 0 H LEU A 34 0.596 0.118 5.345 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.011 -2.124 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.125 -1.823 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.790 -3.379 5.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.335 -1.707 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.057 -3.161 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.399 -2.193 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.359 -3.917 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.566 -3.832 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.249 -4.634 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.202 -3.352 5.290 1.00 0.00 H new ATOM 532 N ASP A 35 1.029 -3.281 7.625 1.00 0.00 N ATOM 533 CA ASP A 35 1.901 -3.702 8.709 1.00 0.00 C ATOM 534 C ASP A 35 3.313 -3.925 8.164 1.00 0.00 C ATOM 535 O ASP A 35 3.486 -4.248 6.990 1.00 0.00 O ATOM 536 CB ASP A 35 1.419 -5.017 9.325 1.00 0.00 C ATOM 537 CG ASP A 35 1.757 -6.271 8.517 1.00 0.00 C ATOM 538 OD1 ASP A 35 1.736 -6.167 7.271 1.00 0.00 O ATOM 539 OD2 ASP A 35 2.028 -7.307 9.163 1.00 0.00 O ATOM 0 H ASP A 35 0.533 -4.040 7.158 1.00 0.00 H new ATOM 0 HA ASP A 35 1.892 -2.923 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.854 -5.116 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.338 -4.966 9.453 1.00 0.00 H new ATOM 544 N PRO A 36 4.313 -3.738 9.067 1.00 0.00 N ATOM 545 CA PRO A 36 5.705 -3.915 8.689 1.00 0.00 C ATOM 546 C PRO A 36 6.054 -5.399 8.558 1.00 0.00 C ATOM 547 O PRO A 36 6.010 -6.139 9.539 1.00 0.00 O ATOM 548 CB PRO A 36 6.501 -3.211 9.776 1.00 0.00 C ATOM 549 CG PRO A 36 5.556 -3.070 10.959 1.00 0.00 C ATOM 550 CD PRO A 36 4.146 -3.355 10.466 1.00 0.00 C ATOM 0 HA PRO A 36 5.932 -3.492 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.385 -3.788 10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.849 -2.236 9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.831 -3.765 11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.618 -2.066 11.379 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.679 -4.154 11.042 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.508 -2.477 10.563 1.00 0.00 H new ATOM 558 N CYS A 37 6.391 -5.789 7.338 1.00 0.00 N ATOM 559 CA CYS A 37 6.747 -7.172 7.066 1.00 0.00 C ATOM 560 C CYS A 37 8.180 -7.403 7.548 1.00 0.00 C ATOM 561 O CYS A 37 8.946 -6.453 7.709 1.00 0.00 O ATOM 562 CB CYS A 37 6.580 -7.518 5.585 1.00 0.00 C ATOM 563 SG CYS A 37 4.803 -7.624 5.163 1.00 0.00 S ATOM 0 H CYS A 37 6.425 -5.172 6.526 1.00 0.00 H new ATOM 0 HA CYS A 37 6.072 -7.837 7.605 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.064 -6.760 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.071 -8.466 5.367 1.00 0.00 H new ATOM 0 HG CYS A 37 4.427 -6.520 4.589 1.00 0.00 H new ATOM 569 N THR A 38 8.500 -8.670 7.766 1.00 0.00 N ATOM 570 CA THR A 38 9.828 -9.038 8.227 1.00 0.00 C ATOM 571 C THR A 38 10.867 -8.754 7.140 1.00 0.00 C ATOM 572 O THR A 38 12.053 -8.607 7.434 1.00 0.00 O ATOM 573 CB THR A 38 9.788 -10.504 8.662 1.00 0.00 C ATOM 574 OG1 THR A 38 11.131 -10.790 9.042 1.00 0.00 O ATOM 575 CG2 THR A 38 9.522 -11.455 7.493 1.00 0.00 C ATOM 0 H THR A 38 7.862 -9.455 7.632 1.00 0.00 H new ATOM 0 HA THR A 38 10.130 -8.438 9.085 1.00 0.00 H new ATOM 0 HB THR A 38 9.016 -10.636 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.195 -11.721 9.340 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.504 -12.482 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.561 -11.214 7.039 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.312 -11.347 6.749 1.00 0.00 H new ATOM 583 N GLY A 39 10.385 -8.686 5.908 1.00 0.00 N ATOM 584 CA GLY A 39 11.257 -8.423 4.777 1.00 0.00 C ATOM 585 C GLY A 39 10.770 -9.157 3.526 1.00 0.00 C ATOM 586 O GLY A 39 10.457 -8.530 2.515 1.00 0.00 O ATOM 0 H GLY A 39 9.401 -8.809 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.293 -7.351 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.273 -8.738 5.016 1.00 0.00 H new ATOM 590 N PHE A 40 10.720 -10.477 3.636 1.00 0.00 N ATOM 591 CA PHE A 40 10.276 -11.304 2.526 1.00 0.00 C ATOM 592 C PHE A 40 8.925 -10.824 1.992 1.00 0.00 C ATOM 593 O PHE A 40 8.816 -10.433 0.830 1.00 0.00 O ATOM 594 CB PHE A 40 10.121 -12.728 3.064 1.00 0.00 C ATOM 595 CG PHE A 40 9.748 -13.759 1.996 1.00 0.00 C ATOM 596 CD1 PHE A 40 10.472 -13.840 0.847 1.00 0.00 C ATOM 597 CD2 PHE A 40 8.693 -14.593 2.196 1.00 0.00 C ATOM 598 CE1 PHE A 40 10.125 -14.797 -0.143 1.00 0.00 C ATOM 599 CE2 PHE A 40 8.347 -15.550 1.206 1.00 0.00 C ATOM 600 CZ PHE A 40 9.070 -15.631 0.057 1.00 0.00 C ATOM 0 H PHE A 40 10.979 -10.994 4.476 1.00 0.00 H new ATOM 0 HA PHE A 40 10.998 -11.253 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.056 -13.031 3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.356 -12.731 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.310 -13.177 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.118 -14.527 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.699 -14.862 -1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.510 -16.213 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.806 -16.358 -0.697 1.00 0.00 H new ATOM 610 N GLN A 41 7.929 -10.869 2.864 1.00 0.00 N ATOM 611 CA GLN A 41 6.590 -10.444 2.495 1.00 0.00 C ATOM 612 C GLN A 41 6.637 -9.077 1.809 1.00 0.00 C ATOM 613 O GLN A 41 6.071 -8.899 0.732 1.00 0.00 O ATOM 614 CB GLN A 41 5.667 -10.414 3.715 1.00 0.00 C ATOM 615 CG GLN A 41 5.040 -11.787 3.962 1.00 0.00 C ATOM 616 CD GLN A 41 4.037 -12.138 2.861 1.00 0.00 C ATOM 617 OE1 GLN A 41 3.813 -11.386 1.927 1.00 0.00 O ATOM 618 NE2 GLN A 41 3.449 -13.320 3.022 1.00 0.00 N ATOM 0 H GLN A 41 8.023 -11.194 3.826 1.00 0.00 H new ATOM 0 HA GLN A 41 6.182 -11.169 1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.231 -10.104 4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.882 -9.674 3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.822 -12.546 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.540 -11.793 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.683 -13.900 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.764 -13.646 2.340 1.00 0.00 H new ATOM 627 N ARG A 42 7.317 -8.146 2.462 1.00 0.00 N ATOM 628 CA ARG A 42 7.446 -6.801 1.929 1.00 0.00 C ATOM 629 C ARG A 42 7.712 -6.849 0.424 1.00 0.00 C ATOM 630 O ARG A 42 7.010 -6.206 -0.356 1.00 0.00 O ATOM 631 CB ARG A 42 8.583 -6.042 2.617 1.00 0.00 C ATOM 632 CG ARG A 42 8.643 -4.591 2.137 1.00 0.00 C ATOM 633 CD ARG A 42 8.831 -3.631 3.313 1.00 0.00 C ATOM 634 NE ARG A 42 10.085 -2.863 3.144 1.00 0.00 N ATOM 635 CZ ARG A 42 11.309 -3.371 3.342 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.452 -4.650 3.717 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.391 -2.600 3.165 1.00 0.00 N ATOM 0 H ARG A 42 7.785 -8.297 3.356 1.00 0.00 H new ATOM 0 HA ARG A 42 6.508 -6.279 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.439 -6.066 3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.532 -6.537 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.465 -4.472 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.726 -4.343 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.983 -2.949 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.860 -4.190 4.248 1.00 0.00 H new ATOM 0 HE ARG A 42 10.013 -1.886 2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.629 -5.237 3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.384 -5.036 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.283 -1.627 2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.323 -2.987 3.316 1.00 0.00 H new ATOM 651 N LYS A 43 8.728 -7.618 0.059 1.00 0.00 N ATOM 652 CA LYS A 43 9.095 -7.759 -1.340 1.00 0.00 C ATOM 653 C LYS A 43 7.889 -8.270 -2.130 1.00 0.00 C ATOM 654 O LYS A 43 7.633 -7.812 -3.243 1.00 0.00 O ATOM 655 CB LYS A 43 10.340 -8.638 -1.481 1.00 0.00 C ATOM 656 CG LYS A 43 11.528 -8.029 -0.734 1.00 0.00 C ATOM 657 CD LYS A 43 12.232 -9.081 0.126 1.00 0.00 C ATOM 658 CE LYS A 43 13.420 -8.471 0.874 1.00 0.00 C ATOM 659 NZ LYS A 43 14.477 -9.486 1.081 1.00 0.00 N ATOM 0 H LYS A 43 9.308 -8.150 0.708 1.00 0.00 H new ATOM 0 HA LYS A 43 9.366 -6.791 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.132 -9.634 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.590 -8.755 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.234 -7.607 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.184 -7.209 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.526 -9.504 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.577 -9.901 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.821 -7.630 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.090 -8.080 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.276 -9.056 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.095 -10.276 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.804 -9.840 0.159 1.00 0.00 H new ATOM 673 N LEU A 44 7.181 -9.212 -1.525 1.00 0.00 N ATOM 674 CA LEU A 44 6.008 -9.790 -2.159 1.00 0.00 C ATOM 675 C LEU A 44 5.000 -8.680 -2.465 1.00 0.00 C ATOM 676 O LEU A 44 4.545 -8.545 -3.599 1.00 0.00 O ATOM 677 CB LEU A 44 5.437 -10.920 -1.300 1.00 0.00 C ATOM 678 CG LEU A 44 6.443 -11.961 -0.806 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.739 -13.084 -0.042 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.290 -12.497 -1.962 1.00 0.00 C ATOM 0 H LEU A 44 7.397 -9.590 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 44 6.276 -10.249 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.946 -10.478 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.666 -11.433 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 44 7.124 -11.474 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.477 -13.811 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.217 -12.667 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.021 -13.576 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.997 -13.235 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.641 -12.963 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.837 -11.675 -2.424 1.00 0.00 H new ATOM 692 N ILE A 45 4.680 -7.914 -1.432 1.00 0.00 N ATOM 693 CA ILE A 45 3.734 -6.820 -1.576 1.00 0.00 C ATOM 694 C ILE A 45 4.147 -5.948 -2.763 1.00 0.00 C ATOM 695 O ILE A 45 3.383 -5.786 -3.714 1.00 0.00 O ATOM 696 CB ILE A 45 3.604 -6.048 -0.261 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.029 -6.938 0.843 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.783 -4.771 -0.454 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.070 -6.227 2.197 1.00 0.00 C ATOM 0 H ILE A 45 5.059 -8.029 -0.492 1.00 0.00 H new ATOM 0 HA ILE A 45 2.737 -7.204 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 45 4.601 -5.745 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.001 -7.206 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.596 -7.867 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.706 -4.241 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.273 -4.131 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.785 -5.030 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.656 -6.881 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.102 -5.982 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.482 -5.311 2.145 1.00 0.00 H new ATOM 711 N TYR A 46 5.354 -5.409 -2.669 1.00 0.00 N ATOM 712 CA TYR A 46 5.877 -4.557 -3.724 1.00 0.00 C ATOM 713 C TYR A 46 5.816 -5.263 -5.080 1.00 0.00 C ATOM 714 O TYR A 46 5.454 -4.654 -6.085 1.00 0.00 O ATOM 715 CB TYR A 46 7.340 -4.292 -3.365 1.00 0.00 C ATOM 716 CG TYR A 46 7.541 -3.131 -2.389 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.264 -1.839 -2.788 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.000 -3.375 -1.111 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.454 -0.746 -1.870 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.190 -2.282 -0.193 1.00 0.00 C ATOM 721 CZ TYR A 46 7.907 -1.022 -0.617 1.00 0.00 C ATOM 722 OH TYR A 46 8.086 0.011 0.250 1.00 0.00 O ATOM 0 H TYR A 46 5.985 -5.546 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 46 5.293 -3.640 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.766 -5.196 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.896 -4.085 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.905 -1.648 -3.788 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.217 -4.386 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.242 0.270 -2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.549 -2.459 0.810 1.00 0.00 H new ATOM 0 HH TYR A 46 8.319 -0.341 1.134 1.00 0.00 H new ATOM 732 N GLN A 47 6.176 -6.538 -5.064 1.00 0.00 N ATOM 733 CA GLN A 47 6.167 -7.334 -6.279 1.00 0.00 C ATOM 734 C GLN A 47 4.771 -7.331 -6.905 1.00 0.00 C ATOM 735 O GLN A 47 4.612 -6.988 -8.076 1.00 0.00 O ATOM 736 CB GLN A 47 6.642 -8.762 -6.004 1.00 0.00 C ATOM 737 CG GLN A 47 8.009 -9.018 -6.641 1.00 0.00 C ATOM 738 CD GLN A 47 8.146 -10.479 -7.074 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.569 -10.920 -8.054 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.941 -11.203 -6.290 1.00 0.00 N ATOM 0 H GLN A 47 6.476 -7.040 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 47 6.863 -6.886 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.701 -8.928 -4.928 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.915 -9.473 -6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.140 -8.365 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.798 -8.770 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.394 -10.771 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.098 -12.190 -6.495 1.00 0.00 H new ATOM 749 N THR A 48 3.795 -7.718 -6.098 1.00 0.00 N ATOM 750 CA THR A 48 2.417 -7.765 -6.558 1.00 0.00 C ATOM 751 C THR A 48 1.960 -6.378 -7.015 1.00 0.00 C ATOM 752 O THR A 48 1.600 -6.190 -8.176 1.00 0.00 O ATOM 753 CB THR A 48 1.561 -8.345 -5.430 1.00 0.00 C ATOM 754 OG1 THR A 48 1.782 -9.750 -5.515 1.00 0.00 O ATOM 755 CG2 THR A 48 0.062 -8.186 -5.691 1.00 0.00 C ATOM 0 H THR A 48 3.931 -8.002 -5.128 1.00 0.00 H new ATOM 0 HA THR A 48 2.313 -8.411 -7.430 1.00 0.00 H new ATOM 0 HB THR A 48 1.819 -7.856 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.310 -10.045 -4.744 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.499 -8.614 -4.860 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.181 -7.128 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.204 -8.703 -6.613 1.00 0.00 H new ATOM 763 N LEU A 49 1.990 -5.441 -6.078 1.00 0.00 N ATOM 764 CA LEU A 49 1.584 -4.077 -6.370 1.00 0.00 C ATOM 765 C LEU A 49 2.315 -3.589 -7.622 1.00 0.00 C ATOM 766 O LEU A 49 1.852 -2.670 -8.296 1.00 0.00 O ATOM 767 CB LEU A 49 1.793 -3.182 -5.147 1.00 0.00 C ATOM 768 CG LEU A 49 1.131 -3.653 -3.850 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.517 -2.748 -2.678 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.386 -3.759 -4.016 1.00 0.00 C ATOM 0 H LEU A 49 2.289 -5.600 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 49 0.517 -4.035 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.864 -3.086 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.418 -2.186 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 49 1.501 -4.653 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.033 -3.104 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.599 -2.766 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.194 -1.728 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.832 -4.096 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.792 -2.783 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.617 -4.474 -4.806 1.00 0.00 H new ATOM 782 N SER A 50 3.444 -4.225 -7.895 1.00 0.00 N ATOM 783 CA SER A 50 4.244 -3.867 -9.054 1.00 0.00 C ATOM 784 C SER A 50 3.384 -3.919 -10.319 1.00 0.00 C ATOM 785 O SER A 50 3.487 -3.047 -11.180 1.00 0.00 O ATOM 786 CB SER A 50 5.454 -4.793 -9.196 1.00 0.00 C ATOM 787 OG SER A 50 6.543 -4.150 -9.853 1.00 0.00 O ATOM 0 H SER A 50 3.824 -4.987 -7.333 1.00 0.00 H new ATOM 0 HA SER A 50 4.613 -2.851 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.773 -5.128 -8.209 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.166 -5.682 -9.757 1.00 0.00 H new ATOM 0 HG SER A 50 7.297 -4.773 -9.923 1.00 0.00 H new ATOM 793 N TRP A 51 2.556 -4.951 -10.391 1.00 0.00 N ATOM 794 CA TRP A 51 1.680 -5.128 -11.536 1.00 0.00 C ATOM 795 C TRP A 51 0.242 -4.885 -11.073 1.00 0.00 C ATOM 796 O TRP A 51 -0.589 -4.404 -11.843 1.00 0.00 O ATOM 797 CB TRP A 51 1.878 -6.506 -12.170 1.00 0.00 C ATOM 798 CG TRP A 51 1.932 -7.655 -11.161 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.016 -8.215 -10.605 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.805 -8.364 -10.605 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.671 -9.229 -9.736 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.284 -9.323 -9.735 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.573 -8.201 -10.829 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.453 -10.194 -9.021 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.391 -9.080 -10.107 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.924 -10.050 -9.229 1.00 0.00 C ATOM 0 H TRP A 51 2.474 -5.673 -9.675 1.00 0.00 H new ATOM 0 HA TRP A 51 1.920 -4.410 -12.320 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.065 -6.691 -12.872 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.803 -6.499 -12.747 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.031 -7.910 -10.812 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.315 -9.804 -9.194 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.970 -7.457 -11.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.852 -10.937 -8.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.459 -8.998 -10.243 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.621 -10.691 -8.709 1.00 0.00 H new ATOM 817 N LYS A 52 -0.008 -5.228 -9.818 1.00 0.00 N ATOM 818 CA LYS A 52 -1.331 -5.053 -9.244 1.00 0.00 C ATOM 819 C LYS A 52 -1.713 -3.572 -9.296 1.00 0.00 C ATOM 820 O LYS A 52 -2.879 -3.235 -9.493 1.00 0.00 O ATOM 821 CB LYS A 52 -1.389 -5.654 -7.838 1.00 0.00 C ATOM 822 CG LYS A 52 -1.953 -7.076 -7.872 1.00 0.00 C ATOM 823 CD LYS A 52 -2.876 -7.328 -6.679 1.00 0.00 C ATOM 824 CE LYS A 52 -4.346 -7.232 -7.093 1.00 0.00 C ATOM 825 NZ LYS A 52 -5.015 -8.543 -6.936 1.00 0.00 N ATOM 0 H LYS A 52 0.683 -5.626 -9.183 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.074 -5.595 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.390 -5.666 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.009 -5.028 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.502 -7.231 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.135 -7.796 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.676 -8.315 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.668 -6.602 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.853 -6.483 -6.485 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.417 -6.902 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.995 -8.397 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.017 -9.043 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.504 -9.111 -6.231 1.00 0.00 H new ATOM 839 N TYR A 53 -0.708 -2.728 -9.115 1.00 0.00 N ATOM 840 CA TYR A 53 -0.924 -1.292 -9.139 1.00 0.00 C ATOM 841 C TYR A 53 0.370 -0.548 -9.476 1.00 0.00 C ATOM 842 O TYR A 53 1.060 -0.059 -8.583 1.00 0.00 O ATOM 843 CB TYR A 53 -1.365 -0.908 -7.725 1.00 0.00 C ATOM 844 CG TYR A 53 -2.542 -1.730 -7.196 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.835 -1.364 -7.510 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.310 -2.836 -6.404 1.00 0.00 C ATOM 847 CE1 TYR A 53 -4.943 -2.138 -7.012 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.418 -3.610 -5.906 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.680 -3.222 -6.234 1.00 0.00 C ATOM 850 OH TYR A 53 -5.726 -3.953 -5.764 1.00 0.00 O ATOM 0 H TYR A 53 0.258 -3.011 -8.951 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.664 -1.028 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.519 -1.025 -7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.638 0.147 -7.714 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.016 -0.498 -8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.298 -3.121 -6.158 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.960 -1.864 -7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.251 -4.479 -5.286 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.472 -3.902 -6.398 1.00 0.00 H new ATOM 860 N PRO A 54 0.669 -0.485 -10.801 1.00 0.00 N ATOM 861 CA PRO A 54 1.868 0.190 -11.267 1.00 0.00 C ATOM 862 C PRO A 54 1.703 1.710 -11.197 1.00 0.00 C ATOM 863 O PRO A 54 2.559 2.405 -10.653 1.00 0.00 O ATOM 864 CB PRO A 54 2.081 -0.320 -12.683 1.00 0.00 C ATOM 865 CG PRO A 54 0.746 -0.899 -13.123 1.00 0.00 C ATOM 866 CD PRO A 54 -0.125 -1.054 -11.887 1.00 0.00 C ATOM 0 HA PRO A 54 2.739 -0.022 -10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.394 0.487 -13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.864 -1.078 -12.711 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.266 -0.242 -13.849 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.890 -1.863 -13.612 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.073 -0.528 -12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.362 -2.101 -11.698 1.00 0.00 H new ATOM 874 N LYS A 55 0.598 2.180 -11.755 1.00 0.00 N ATOM 875 CA LYS A 55 0.310 3.604 -11.763 1.00 0.00 C ATOM 876 C LYS A 55 -1.064 3.846 -11.134 1.00 0.00 C ATOM 877 O LYS A 55 -2.069 3.318 -11.608 1.00 0.00 O ATOM 878 CB LYS A 55 0.448 4.171 -13.177 1.00 0.00 C ATOM 879 CG LYS A 55 -0.471 3.436 -14.154 1.00 0.00 C ATOM 880 CD LYS A 55 0.338 2.741 -15.251 1.00 0.00 C ATOM 881 CE LYS A 55 -0.292 1.399 -15.631 1.00 0.00 C ATOM 882 NZ LYS A 55 -1.098 1.535 -16.864 1.00 0.00 N ATOM 0 H LYS A 55 -0.110 1.600 -12.205 1.00 0.00 H new ATOM 0 HA LYS A 55 1.038 4.143 -11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.204 5.233 -13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.483 4.083 -13.509 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.067 2.700 -13.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.169 4.142 -14.604 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.392 3.383 -16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.361 2.583 -14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.489 0.653 -15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.921 1.042 -14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.518 0.615 -17.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.855 2.231 -16.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.488 1.854 -17.644 1.00 0.00 H new ATOM 896 N GLY A 56 -1.063 4.644 -10.077 1.00 0.00 N ATOM 897 CA GLY A 56 -2.297 4.962 -9.378 1.00 0.00 C ATOM 898 C GLY A 56 -2.046 5.152 -7.881 1.00 0.00 C ATOM 899 O GLY A 56 -2.675 5.997 -7.245 1.00 0.00 O ATOM 0 H GLY A 56 -0.227 5.080 -9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.732 5.870 -9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.022 4.162 -9.530 1.00 0.00 H new ATOM 903 N ILE A 57 -1.126 4.353 -7.362 1.00 0.00 N ATOM 904 CA ILE A 57 -0.785 4.422 -5.951 1.00 0.00 C ATOM 905 C ILE A 57 0.738 4.453 -5.800 1.00 0.00 C ATOM 906 O ILE A 57 1.464 4.078 -6.719 1.00 0.00 O ATOM 907 CB ILE A 57 -1.456 3.283 -5.181 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.263 1.946 -5.900 1.00 0.00 C ATOM 909 CG2 ILE A 57 -2.933 3.589 -4.926 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.219 1.674 -6.163 1.00 0.00 C ATOM 0 H ILE A 57 -0.606 3.654 -7.893 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.169 5.342 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.972 3.198 -4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.683 1.141 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.808 1.955 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.386 2.763 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.019 4.504 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.448 3.717 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.328 0.718 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.630 2.468 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.757 1.642 -5.215 1.00 0.00 H new ATOM 922 N HIS A 58 1.175 4.903 -4.633 1.00 0.00 N ATOM 923 CA HIS A 58 2.598 4.988 -4.350 1.00 0.00 C ATOM 924 C HIS A 58 2.901 4.283 -3.027 1.00 0.00 C ATOM 925 O HIS A 58 2.629 4.823 -1.955 1.00 0.00 O ATOM 926 CB HIS A 58 3.070 6.443 -4.368 1.00 0.00 C ATOM 927 CG HIS A 58 4.421 6.659 -3.729 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.787 6.721 -2.417 1.00 0.00 N flip ATOM 929 CD2 HIS A 58 5.578 6.841 -4.466 1.00 0.00 C flip ATOM 930 CE1 HIS A 58 6.096 6.928 -2.355 1.00 0.00 C flip ATOM 931 NE2 HIS A 58 6.589 7.003 -3.625 1.00 0.00 N flip ATOM 0 H HIS A 58 0.569 5.212 -3.873 1.00 0.00 H new ATOM 0 HA HIS A 58 3.159 4.476 -5.132 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.109 6.789 -5.401 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.333 7.059 -3.853 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.160 6.625 -1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.645 6.850 -5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.676 7.022 -1.449 1.00 0.00 H new ATOM 939 N VAL A 59 3.460 3.087 -3.145 1.00 0.00 N ATOM 940 CA VAL A 59 3.802 2.303 -1.971 1.00 0.00 C ATOM 941 C VAL A 59 5.089 2.854 -1.352 1.00 0.00 C ATOM 942 O VAL A 59 6.179 2.629 -1.875 1.00 0.00 O ATOM 943 CB VAL A 59 3.905 0.822 -2.343 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.165 -0.038 -1.104 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.649 0.354 -3.080 1.00 0.00 C ATOM 0 H VAL A 59 3.684 2.643 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 59 3.018 2.382 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 59 4.753 0.704 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.234 -1.086 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.100 0.271 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.346 0.088 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.748 -0.702 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.778 0.494 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.525 0.936 -3.993 1.00 0.00 H new ATOM 955 N GLU A 60 4.919 3.565 -0.247 1.00 0.00 N ATOM 956 CA GLU A 60 6.052 4.149 0.449 1.00 0.00 C ATOM 957 C GLU A 60 6.294 3.424 1.774 1.00 0.00 C ATOM 958 O GLU A 60 5.395 2.770 2.301 1.00 0.00 O ATOM 959 CB GLU A 60 5.843 5.648 0.674 1.00 0.00 C ATOM 960 CG GLU A 60 4.730 5.899 1.694 1.00 0.00 C ATOM 961 CD GLU A 60 4.127 7.294 1.515 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.096 7.753 0.353 1.00 0.00 O ATOM 963 OE2 GLU A 60 3.710 7.868 2.543 1.00 0.00 O ATOM 0 H GLU A 60 4.013 3.750 0.183 1.00 0.00 H new ATOM 0 HA GLU A 60 6.938 4.028 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.771 6.100 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.591 6.130 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.951 5.145 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.128 5.798 2.704 1.00 0.00 H new ATOM 970 N THR A 61 7.513 3.563 2.274 1.00 0.00 N ATOM 971 CA THR A 61 7.884 2.928 3.527 1.00 0.00 C ATOM 972 C THR A 61 8.187 3.986 4.591 1.00 0.00 C ATOM 973 O THR A 61 9.249 4.606 4.571 1.00 0.00 O ATOM 974 CB THR A 61 9.061 1.990 3.252 1.00 0.00 C ATOM 975 OG1 THR A 61 8.477 0.900 2.544 1.00 0.00 O ATOM 976 CG2 THR A 61 9.612 1.352 4.529 1.00 0.00 C ATOM 0 H THR A 61 8.256 4.106 1.834 1.00 0.00 H new ATOM 0 HA THR A 61 7.063 2.334 3.927 1.00 0.00 H new ATOM 0 HB THR A 61 9.856 2.542 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.206 1.198 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.445 0.696 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.957 2.133 5.206 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.827 0.772 5.014 1.00 0.00 H new ATOM 984 N LEU A 62 7.234 4.159 5.495 1.00 0.00 N ATOM 985 CA LEU A 62 7.385 5.130 6.565 1.00 0.00 C ATOM 986 C LEU A 62 8.087 4.470 7.753 1.00 0.00 C ATOM 987 O LEU A 62 7.745 3.352 8.137 1.00 0.00 O ATOM 988 CB LEU A 62 6.032 5.753 6.918 1.00 0.00 C ATOM 989 CG LEU A 62 5.251 6.365 5.754 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.864 6.826 6.206 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.044 7.495 5.095 1.00 0.00 C ATOM 0 H LEU A 62 6.354 3.643 5.508 1.00 0.00 H new ATOM 0 HA LEU A 62 8.017 5.957 6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.412 4.987 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.196 6.528 7.667 1.00 0.00 H new ATOM 0 HG LEU A 62 5.103 5.593 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.330 7.257 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.305 5.973 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.967 7.576 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.466 7.913 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.244 8.275 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.988 7.104 4.715 1.00 0.00 H new ATOM 1003 N GLU A 63 9.055 5.188 8.302 1.00 0.00 N ATOM 1004 CA GLU A 63 9.808 4.685 9.438 1.00 0.00 C ATOM 1005 C GLU A 63 9.370 5.394 10.721 1.00 0.00 C ATOM 1006 O GLU A 63 8.964 6.555 10.685 1.00 0.00 O ATOM 1007 CB GLU A 63 11.313 4.843 9.212 1.00 0.00 C ATOM 1008 CG GLU A 63 12.108 3.941 10.159 1.00 0.00 C ATOM 1009 CD GLU A 63 13.109 4.756 10.980 1.00 0.00 C ATOM 1010 OE1 GLU A 63 12.657 5.391 11.957 1.00 0.00 O ATOM 1011 OE2 GLU A 63 14.303 4.725 10.613 1.00 0.00 O ATOM 0 H GLU A 63 9.335 6.115 7.981 1.00 0.00 H new ATOM 0 HA GLU A 63 9.599 3.620 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.557 4.596 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.600 5.883 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.425 3.417 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.637 3.181 9.584 1.00 0.00 H new ATOM 1018 N THR A 64 9.466 4.666 11.824 1.00 0.00 N ATOM 1019 CA THR A 64 9.084 5.211 13.116 1.00 0.00 C ATOM 1020 C THR A 64 9.167 4.131 14.196 1.00 0.00 C ATOM 1021 O THR A 64 9.436 2.968 13.896 1.00 0.00 O ATOM 1022 CB THR A 64 7.689 5.825 12.976 1.00 0.00 C ATOM 1023 OG1 THR A 64 7.084 5.604 14.248 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.802 5.047 12.002 1.00 0.00 C ATOM 0 H THR A 64 9.803 3.704 11.850 1.00 0.00 H new ATOM 0 HA THR A 64 9.770 5.996 13.433 1.00 0.00 H new ATOM 0 HB THR A 64 7.779 6.858 12.639 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.233 6.385 14.821 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.824 5.524 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.265 5.038 11.015 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.684 4.023 12.356 1.00 0.00 H new ATOM 1032 N ASP A 65 8.932 4.553 15.429 1.00 0.00 N ATOM 1033 CA ASP A 65 8.977 3.636 16.556 1.00 0.00 C ATOM 1034 C ASP A 65 7.587 3.038 16.777 1.00 0.00 C ATOM 1035 O ASP A 65 7.431 2.085 17.539 1.00 0.00 O ATOM 1036 CB ASP A 65 9.390 4.359 17.839 1.00 0.00 C ATOM 1037 CG ASP A 65 10.888 4.324 18.148 1.00 0.00 C ATOM 1038 OD1 ASP A 65 11.387 3.209 18.412 1.00 0.00 O ATOM 1039 OD2 ASP A 65 11.501 5.413 18.112 1.00 0.00 O ATOM 0 H ASP A 65 8.710 5.518 15.673 1.00 0.00 H new ATOM 0 HA ASP A 65 9.707 2.859 16.329 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.073 5.400 17.770 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.851 3.917 18.677 1.00 0.00 H new ATOM 1044 N LYS A 66 6.611 3.621 16.096 1.00 0.00 N ATOM 1045 CA LYS A 66 5.239 3.158 16.209 1.00 0.00 C ATOM 1046 C LYS A 66 4.941 2.177 15.072 1.00 0.00 C ATOM 1047 O LYS A 66 4.222 1.198 15.265 1.00 0.00 O ATOM 1048 CB LYS A 66 4.275 4.345 16.265 1.00 0.00 C ATOM 1049 CG LYS A 66 4.568 5.343 15.142 1.00 0.00 C ATOM 1050 CD LYS A 66 3.277 5.974 14.619 1.00 0.00 C ATOM 1051 CE LYS A 66 2.884 7.192 15.456 1.00 0.00 C ATOM 1052 NZ LYS A 66 3.037 8.435 14.668 1.00 0.00 N ATOM 0 H LYS A 66 6.744 4.410 15.464 1.00 0.00 H new ATOM 0 HA LYS A 66 5.096 2.617 17.144 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.248 3.989 16.181 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.361 4.843 17.231 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.236 6.123 15.509 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.086 4.837 14.327 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.409 6.271 13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.473 5.238 14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.852 7.092 15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.506 7.242 16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.766 9.252 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.028 8.537 14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.425 8.391 13.828 1.00 0.00 H new ATOM 1066 N LYS A 67 5.509 2.475 13.913 1.00 0.00 N ATOM 1067 CA LYS A 67 5.314 1.632 12.745 1.00 0.00 C ATOM 1068 C LYS A 67 6.559 0.770 12.530 1.00 0.00 C ATOM 1069 O LYS A 67 6.489 -0.456 12.598 1.00 0.00 O ATOM 1070 CB LYS A 67 4.935 2.480 11.529 1.00 0.00 C ATOM 1071 CG LYS A 67 3.818 3.467 11.875 1.00 0.00 C ATOM 1072 CD LYS A 67 2.442 2.824 11.687 1.00 0.00 C ATOM 1073 CE LYS A 67 1.814 2.467 13.036 1.00 0.00 C ATOM 1074 NZ LYS A 67 0.453 1.918 12.845 1.00 0.00 N ATOM 0 H LYS A 67 6.104 3.288 13.757 1.00 0.00 H new ATOM 0 HA LYS A 67 4.478 0.951 12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.810 3.025 11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.612 1.831 10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.930 3.801 12.906 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.900 4.351 11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.788 3.508 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.537 1.926 11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.438 1.737 13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.770 3.353 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.041 1.681 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.144 2.626 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.504 1.060 12.259 1.00 0.00 H new ATOM 1088 N GLU A 68 7.670 1.445 12.274 1.00 0.00 N ATOM 1089 CA GLU A 68 8.929 0.755 12.049 1.00 0.00 C ATOM 1090 C GLU A 68 8.966 0.166 10.637 1.00 0.00 C ATOM 1091 O GLU A 68 8.448 -0.924 10.402 1.00 0.00 O ATOM 1092 CB GLU A 68 9.156 -0.331 13.102 1.00 0.00 C ATOM 1093 CG GLU A 68 10.440 -0.068 13.892 1.00 0.00 C ATOM 1094 CD GLU A 68 11.449 -1.200 13.689 1.00 0.00 C ATOM 1095 OE1 GLU A 68 11.271 -2.245 14.351 1.00 0.00 O ATOM 1096 OE2 GLU A 68 12.377 -0.995 12.877 1.00 0.00 O ATOM 0 H GLU A 68 7.725 2.462 12.217 1.00 0.00 H new ATOM 0 HA GLU A 68 9.739 1.479 12.142 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.306 -0.365 13.783 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.216 -1.306 12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.880 0.877 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.206 0.030 14.952 1.00 0.00 H new ATOM 1103 N ARG A 69 9.583 0.914 9.734 1.00 0.00 N ATOM 1104 CA ARG A 69 9.695 0.479 8.352 1.00 0.00 C ATOM 1105 C ARG A 69 8.429 -0.267 7.927 1.00 0.00 C ATOM 1106 O ARG A 69 8.468 -1.472 7.681 1.00 0.00 O ATOM 1107 CB ARG A 69 10.907 -0.434 8.158 1.00 0.00 C ATOM 1108 CG ARG A 69 11.807 0.082 7.034 1.00 0.00 C ATOM 1109 CD ARG A 69 13.281 0.031 7.444 1.00 0.00 C ATOM 1110 NE ARG A 69 14.043 -0.806 6.491 1.00 0.00 N ATOM 1111 CZ ARG A 69 14.557 -0.354 5.339 1.00 0.00 C ATOM 1112 NH1 ARG A 69 14.392 0.929 4.990 1.00 0.00 N ATOM 1113 NH2 ARG A 69 15.234 -1.185 4.536 1.00 0.00 N ATOM 0 H ARG A 69 10.011 1.819 9.932 1.00 0.00 H new ATOM 0 HA ARG A 69 9.822 1.368 7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.475 -0.492 9.086 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.572 -1.445 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.654 -0.518 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.531 1.106 6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.695 1.039 7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.373 -0.375 8.451 1.00 0.00 H new ATOM 0 HE ARG A 69 14.186 -1.788 6.726 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.875 1.561 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.783 1.273 4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.358 -2.162 4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.625 -0.841 3.659 1.00 0.00 H new ATOM 1127 N HIS A 70 7.336 0.479 7.854 1.00 0.00 N ATOM 1128 CA HIS A 70 6.061 -0.098 7.463 1.00 0.00 C ATOM 1129 C HIS A 70 5.664 0.425 6.082 1.00 0.00 C ATOM 1130 O HIS A 70 5.988 1.557 5.725 1.00 0.00 O ATOM 1131 CB HIS A 70 4.995 0.169 8.528 1.00 0.00 C ATOM 1132 CG HIS A 70 4.287 1.494 8.369 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.977 1.696 8.766 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.721 2.680 7.853 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.647 2.951 8.496 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.729 3.558 7.930 1.00 0.00 N ATOM 0 H HIS A 70 7.307 1.478 8.059 1.00 0.00 H new ATOM 0 HA HIS A 70 6.154 -1.182 7.390 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.256 -0.632 8.497 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.462 0.134 9.512 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.369 0.998 9.194 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.705 2.872 7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.690 3.412 8.690 1.00 0.00 H new ATOM 1144 N ILE A 71 4.968 -0.424 5.340 1.00 0.00 N ATOM 1145 CA ILE A 71 4.523 -0.062 4.005 1.00 0.00 C ATOM 1146 C ILE A 71 3.299 0.850 4.110 1.00 0.00 C ATOM 1147 O ILE A 71 2.457 0.667 4.988 1.00 0.00 O ATOM 1148 CB ILE A 71 4.284 -1.316 3.162 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.585 -2.096 2.959 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.615 -0.963 1.832 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.305 -3.493 2.401 1.00 0.00 C ATOM 0 H ILE A 71 4.701 -1.362 5.638 1.00 0.00 H new ATOM 0 HA ILE A 71 5.298 0.501 3.485 1.00 0.00 H new ATOM 0 HB ILE A 71 3.599 -1.967 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.237 -1.552 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.115 -2.179 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.456 -1.872 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.655 -0.483 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.256 -0.282 1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.246 -4.026 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.673 -4.043 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.796 -3.406 1.441 1.00 0.00 H new ATOM 1163 N VAL A 72 3.239 1.813 3.202 1.00 0.00 N ATOM 1164 CA VAL A 72 2.133 2.754 3.182 1.00 0.00 C ATOM 1165 C VAL A 72 1.703 2.998 1.734 1.00 0.00 C ATOM 1166 O VAL A 72 2.541 3.243 0.867 1.00 0.00 O ATOM 1167 CB VAL A 72 2.525 4.040 3.913 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.748 5.240 3.369 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.323 3.895 5.423 1.00 0.00 C ATOM 0 H VAL A 72 3.939 1.962 2.475 1.00 0.00 H new ATOM 0 HA VAL A 72 1.274 2.344 3.713 1.00 0.00 H new ATOM 0 HB VAL A 72 3.585 4.218 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.046 6.140 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.964 5.362 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.679 5.073 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.609 4.823 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.275 3.680 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.941 3.079 5.796 1.00 0.00 H new ATOM 1179 N ILE A 73 0.398 2.923 1.517 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.153 3.133 0.189 1.00 0.00 C ATOM 1181 C ILE A 73 -0.744 4.542 0.103 1.00 0.00 C ATOM 1182 O ILE A 73 -1.748 4.838 0.748 1.00 0.00 O ATOM 1183 CB ILE A 73 -1.150 2.026 -0.159 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.513 0.644 0.001 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.731 2.231 -1.559 1.00 0.00 C ATOM 1186 CD1 ILE A 73 -0.264 0.322 1.476 1.00 0.00 C ATOM 0 H ILE A 73 -0.294 2.720 2.239 1.00 0.00 H new ATOM 0 HA ILE A 73 0.633 3.070 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.980 2.081 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.164 -0.113 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.429 0.608 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.437 1.430 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.246 3.191 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.925 2.218 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.189 -0.666 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.407 1.067 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.211 0.335 2.016 1.00 0.00 H new ATOM 1198 N SER A 74 -0.095 5.373 -0.699 1.00 0.00 N ATOM 1199 CA SER A 74 -0.543 6.743 -0.878 1.00 0.00 C ATOM 1200 C SER A 74 -1.146 6.919 -2.273 1.00 0.00 C ATOM 1201 O SER A 74 -0.516 6.578 -3.273 1.00 0.00 O ATOM 1202 CB SER A 74 0.606 7.731 -0.669 1.00 0.00 C ATOM 1203 OG SER A 74 1.443 7.353 0.421 1.00 0.00 O ATOM 0 H SER A 74 0.738 5.124 -1.232 1.00 0.00 H new ATOM 0 HA SER A 74 -1.307 6.952 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.202 7.792 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.200 8.726 -0.486 1.00 0.00 H new ATOM 0 HG SER A 74 2.366 7.256 0.106 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.360 7.450 -2.296 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.055 7.675 -3.552 1.00 0.00 C ATOM 1211 C LYS A 75 -2.167 8.507 -4.480 1.00 0.00 C ATOM 1212 O LYS A 75 -1.512 9.450 -4.037 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.431 8.295 -3.300 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.468 7.216 -2.983 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.825 7.840 -2.651 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.947 7.168 -3.445 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.348 8.013 -4.592 1.00 0.00 N ATOM 0 H LYS A 75 -2.880 7.731 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.245 6.728 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.370 9.000 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.745 8.860 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.571 6.544 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.125 6.613 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.022 7.743 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.804 8.906 -2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.614 6.193 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.806 6.994 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.110 7.542 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.685 8.933 -4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.531 8.158 -5.219 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.173 8.128 -5.749 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.376 8.828 -6.743 1.00 0.00 C ATOM 1233 C VAL A 76 -2.262 9.194 -7.935 1.00 0.00 C ATOM 1234 O VAL A 76 -3.365 8.668 -8.078 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.166 7.977 -7.136 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.601 8.619 -8.294 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.751 7.741 -5.934 1.00 0.00 C ATOM 0 H VAL A 76 -2.717 7.345 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.983 9.758 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.532 7.007 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.456 7.995 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.056 8.713 -9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.951 9.607 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.603 7.134 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.106 8.699 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.198 7.222 -5.151 1.00 0.00 H new ATOM 1247 N ASP A 77 -1.746 10.093 -8.760 1.00 0.00 N ATOM 1248 CA ASP A 77 -2.477 10.536 -9.936 1.00 0.00 C ATOM 1249 C ASP A 77 -1.512 10.650 -11.118 1.00 0.00 C ATOM 1250 O ASP A 77 -0.324 10.909 -10.931 1.00 0.00 O ATOM 1251 CB ASP A 77 -3.109 11.910 -9.706 1.00 0.00 C ATOM 1252 CG ASP A 77 -4.012 12.404 -10.838 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.026 11.720 -11.094 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -3.667 13.455 -11.422 1.00 0.00 O ATOM 0 H ASP A 77 -0.831 10.527 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.262 9.808 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.692 11.876 -8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.313 12.638 -9.552 1.00 0.00 H new ATOM 1259 N GLU A 78 -2.059 10.452 -12.308 1.00 0.00 N ATOM 1260 CA GLU A 78 -1.261 10.529 -13.520 1.00 0.00 C ATOM 1261 C GLU A 78 -1.080 11.988 -13.943 1.00 0.00 C ATOM 1262 O GLU A 78 0.045 12.480 -14.024 1.00 0.00 O ATOM 1263 CB GLU A 78 -1.892 9.707 -14.645 1.00 0.00 C ATOM 1264 CG GLU A 78 -1.287 8.303 -14.703 1.00 0.00 C ATOM 1265 CD GLU A 78 -2.356 7.257 -15.026 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -2.666 7.115 -16.228 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -2.839 6.624 -14.063 1.00 0.00 O ATOM 0 H GLU A 78 -3.045 10.238 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.278 10.106 -13.313 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.969 9.637 -14.489 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.740 10.212 -15.599 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.503 8.272 -15.460 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.818 8.066 -13.748 1.00 0.00 H new ATOM 1274 N GLU A 79 -2.204 12.640 -14.203 1.00 0.00 N ATOM 1275 CA GLU A 79 -2.182 14.033 -14.616 1.00 0.00 C ATOM 1276 C GLU A 79 -1.168 14.819 -13.782 1.00 0.00 C ATOM 1277 O GLU A 79 -0.309 15.507 -14.330 1.00 0.00 O ATOM 1278 CB GLU A 79 -3.576 14.656 -14.515 1.00 0.00 C ATOM 1279 CG GLU A 79 -4.336 14.518 -15.835 1.00 0.00 C ATOM 1280 CD GLU A 79 -5.565 15.430 -15.859 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -6.345 15.356 -14.885 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -5.696 16.180 -16.850 1.00 0.00 O ATOM 0 H GLU A 79 -3.135 12.230 -14.136 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.875 14.077 -15.661 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.137 14.172 -13.716 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.489 15.710 -14.250 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.677 14.768 -16.666 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.645 13.482 -15.974 1.00 0.00 H new ATOM 1289 N GLU A 80 -1.302 14.689 -12.470 1.00 0.00 N ATOM 1290 CA GLU A 80 -0.408 15.379 -11.555 1.00 0.00 C ATOM 1291 C GLU A 80 1.042 14.969 -11.821 1.00 0.00 C ATOM 1292 O GLU A 80 1.877 15.809 -12.154 1.00 0.00 O ATOM 1293 CB GLU A 80 -0.797 15.108 -10.101 1.00 0.00 C ATOM 1294 CG GLU A 80 -1.042 16.416 -9.346 1.00 0.00 C ATOM 1295 CD GLU A 80 -2.358 17.062 -9.782 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -2.366 17.642 -10.889 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -3.327 16.962 -8.998 1.00 0.00 O ATOM 0 H GLU A 80 -2.016 14.117 -12.019 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.499 16.452 -11.727 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.696 14.492 -10.070 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.006 14.542 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.066 16.222 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.217 17.105 -9.527 1.00 0.00 H new ATOM 1304 N ARG A 81 1.297 13.679 -11.663 1.00 0.00 N ATOM 1305 CA ARG A 81 2.632 13.148 -11.881 1.00 0.00 C ATOM 1306 C ARG A 81 3.097 13.451 -13.307 1.00 0.00 C ATOM 1307 O ARG A 81 2.557 12.907 -14.269 1.00 0.00 O ATOM 1308 CB ARG A 81 2.668 11.636 -11.651 1.00 0.00 C ATOM 1309 CG ARG A 81 3.987 11.211 -11.002 1.00 0.00 C ATOM 1310 CD ARG A 81 3.999 11.556 -9.511 1.00 0.00 C ATOM 1311 NE ARG A 81 5.288 12.186 -9.148 1.00 0.00 N ATOM 1312 CZ ARG A 81 5.640 12.510 -7.897 1.00 0.00 C ATOM 1313 NH1 ARG A 81 4.802 12.265 -6.880 1.00 0.00 N ATOM 1314 NH2 ARG A 81 6.830 13.079 -7.661 1.00 0.00 N ATOM 0 H ARG A 81 0.602 12.986 -11.387 1.00 0.00 H new ATOM 0 HA ARG A 81 3.301 13.629 -11.167 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.834 11.342 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.542 11.117 -12.601 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.132 10.139 -11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.819 11.708 -11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.176 12.232 -9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.846 10.653 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 81 5.950 12.386 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.896 11.832 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.070 12.512 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.468 13.266 -8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.097 13.326 -6.708 1.00 0.00 H new ATOM 1328 N SER A 82 4.094 14.319 -13.398 1.00 0.00 N ATOM 1329 CA SER A 82 4.638 14.701 -14.690 1.00 0.00 C ATOM 1330 C SER A 82 5.290 13.491 -15.362 1.00 0.00 C ATOM 1331 O SER A 82 5.028 13.209 -16.530 1.00 0.00 O ATOM 1332 CB SER A 82 5.651 15.839 -14.547 1.00 0.00 C ATOM 1333 OG SER A 82 5.219 17.025 -15.208 1.00 0.00 O ATOM 0 H SER A 82 4.539 14.769 -12.598 1.00 0.00 H new ATOM 0 HA SER A 82 3.818 15.057 -15.314 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.811 16.051 -13.490 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.610 15.524 -14.958 1.00 0.00 H new ATOM 0 HG SER A 82 5.892 17.728 -15.092 1.00 0.00 H new ATOM 1339 N GLY A 83 6.128 12.808 -14.595 1.00 0.00 N ATOM 1340 CA GLY A 83 6.819 11.635 -15.101 1.00 0.00 C ATOM 1341 C GLY A 83 8.314 11.913 -15.277 1.00 0.00 C ATOM 1342 O GLY A 83 8.709 12.664 -16.167 1.00 0.00 O ATOM 0 H GLY A 83 6.344 13.045 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.679 10.801 -14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.386 11.337 -16.056 1.00 0.00 H new ATOM 1346 N PRO A 84 9.125 11.276 -14.390 1.00 0.00 N ATOM 1347 CA PRO A 84 10.567 11.446 -14.439 1.00 0.00 C ATOM 1348 C PRO A 84 11.172 10.666 -15.607 1.00 0.00 C ATOM 1349 O PRO A 84 11.955 11.212 -16.384 1.00 0.00 O ATOM 1350 CB PRO A 84 11.065 10.970 -13.084 1.00 0.00 C ATOM 1351 CG PRO A 84 9.946 10.120 -12.504 1.00 0.00 C ATOM 1352 CD PRO A 84 8.692 10.379 -13.323 1.00 0.00 C ATOM 0 HA PRO A 84 10.863 12.480 -14.616 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.983 10.391 -13.187 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.292 11.814 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.212 9.064 -12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.777 10.373 -11.457 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.284 9.452 -13.726 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.910 10.834 -12.716 1.00 0.00 H new ATOM 1360 N SER A 85 10.788 9.401 -15.695 1.00 0.00 N ATOM 1361 CA SER A 85 11.283 8.540 -16.755 1.00 0.00 C ATOM 1362 C SER A 85 10.572 8.867 -18.070 1.00 0.00 C ATOM 1363 O SER A 85 11.217 9.200 -19.063 1.00 0.00 O ATOM 1364 CB SER A 85 11.092 7.064 -16.401 1.00 0.00 C ATOM 1365 OG SER A 85 9.743 6.770 -16.051 1.00 0.00 O ATOM 0 H SER A 85 10.139 8.952 -15.049 1.00 0.00 H new ATOM 0 HA SER A 85 12.351 8.722 -16.872 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.390 6.446 -17.248 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.747 6.803 -15.570 1.00 0.00 H new ATOM 0 HG SER A 85 9.662 5.818 -15.833 1.00 0.00 H new ATOM 1371 N SER A 86 9.252 8.760 -18.034 1.00 0.00 N ATOM 1372 CA SER A 86 8.445 9.040 -19.210 1.00 0.00 C ATOM 1373 C SER A 86 8.823 10.404 -19.790 1.00 0.00 C ATOM 1374 O SER A 86 9.185 10.505 -20.961 1.00 0.00 O ATOM 1375 CB SER A 86 6.953 8.999 -18.877 1.00 0.00 C ATOM 1376 OG SER A 86 6.147 8.906 -20.048 1.00 0.00 O ATOM 0 H SER A 86 8.721 8.483 -17.209 1.00 0.00 H new ATOM 0 HA SER A 86 8.644 8.268 -19.954 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.750 8.147 -18.228 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.681 9.896 -18.320 1.00 0.00 H new ATOM 0 HG SER A 86 5.201 8.881 -19.793 1.00 0.00 H new ATOM 1382 N GLY A 87 8.725 11.419 -18.944 1.00 0.00 N ATOM 1383 CA GLY A 87 9.051 12.773 -19.359 1.00 0.00 C ATOM 1384 C GLY A 87 10.453 12.836 -19.970 1.00 0.00 C ATOM 1385 O GLY A 87 11.286 13.633 -19.540 1.00 0.00 O ATOM 0 H GLY A 87 8.425 11.331 -17.973 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.317 13.121 -20.086 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.993 13.444 -18.502 1.00 0.00 H new TER 1389 GLY A 87