USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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: X 10 TYR OH : rot -143:sc= 0.811 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.958! C(o=-0.15!,f=-3.8!) USER MOD Single : X 4 LYS NZ :NH3+ -148:sc= 1.26 (180deg=-0.0705) USER MOD Single : X 5 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.33) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.683 USER MOD Single : X 17 GLN : amide:sc= 0.266 X(o=0.27,f=-0.23) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 171:sc= 0.995 (180deg=0.522) USER MOD Single : X 26 ASN : amide:sc= 1.16 K(o=1.2,f=-0.17) USER MOD Single : X 30 THR OG1 : rot 120:sc= -3.73! USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -95:sc= 1.14 USER MOD Single : X 47 HIS : no HD1:sc= -2.98 X(o=-3,f=-2.6!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ -168:sc=-0.00307 (180deg=-0.137) USER MOD Single : X 80 LYS NZ :NH3+ 162:sc= -0.0732 (180deg=-0.359) USER MOD Single : X 86 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : X 88 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.14) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.999 4.664 6.632 1.00 0.00 N ATOM 17 CA LEU X 3 61.870 5.361 5.730 1.00 0.00 C ATOM 18 C LEU X 3 62.214 6.691 6.344 1.00 0.00 C ATOM 19 O LEU X 3 61.327 7.465 6.720 1.00 0.00 O ATOM 20 CB LEU X 3 61.212 5.531 4.354 1.00 0.00 C ATOM 21 CG LEU X 3 60.733 4.224 3.682 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.250 4.448 2.249 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.817 3.162 3.723 1.00 0.00 C ATOM 0 HA LEU X 3 62.782 4.786 5.572 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.358 6.200 4.459 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.922 6.023 3.689 1.00 0.00 H new ATOM 0 HG LEU X 3 59.877 3.870 4.257 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.925 3.499 1.822 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.416 5.150 2.252 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.065 4.855 1.650 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.454 2.253 3.244 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.700 3.523 3.195 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.077 2.947 4.760 1.00 0.00 H new ATOM 35 N LYS X 4 63.478 6.958 6.436 1.00 0.00 N ATOM 36 CA LYS X 4 63.979 8.124 7.119 1.00 0.00 C ATOM 37 C LYS X 4 64.233 9.266 6.144 1.00 0.00 C ATOM 38 O LYS X 4 63.660 9.310 5.070 1.00 0.00 O ATOM 39 CB LYS X 4 65.292 7.775 7.820 1.00 0.00 C ATOM 40 CG LYS X 4 65.294 6.497 8.647 1.00 0.00 C ATOM 41 CD LYS X 4 64.090 6.378 9.526 1.00 0.00 C ATOM 42 CE LYS X 4 64.395 5.482 10.712 1.00 0.00 C ATOM 43 NZ LYS X 4 63.200 5.060 11.472 1.00 0.00 N ATOM 0 H LYS X 4 64.207 6.368 6.035 1.00 0.00 H new ATOM 0 HA LYS X 4 63.229 8.442 7.844 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.073 7.695 7.064 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.563 8.605 8.472 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.338 5.637 7.979 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.193 6.469 9.263 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.786 7.365 9.875 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.254 5.970 8.958 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.919 4.594 10.358 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.074 6.006 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.449 4.948 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.456 5.781 11.378 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.853 4.154 11.098 1.00 0.00 H new ATOM 57 N ASN X 5 65.032 10.222 6.563 1.00 0.00 N ATOM 58 CA ASN X 5 65.452 11.296 5.679 1.00 0.00 C ATOM 59 C ASN X 5 66.926 11.131 5.327 1.00 0.00 C ATOM 60 O ASN X 5 67.347 11.448 4.219 1.00 0.00 O ATOM 61 CB ASN X 5 65.225 12.692 6.308 1.00 0.00 C ATOM 62 CG ASN X 5 66.219 13.048 7.417 1.00 0.00 C ATOM 63 OD1 ASN X 5 67.272 13.638 7.159 1.00 0.00 O ATOM 64 ND2 ASN X 5 65.910 12.689 8.634 1.00 0.00 N ATOM 0 H ASN X 5 65.406 10.281 7.510 1.00 0.00 H new ATOM 0 HA ASN X 5 64.841 11.233 4.778 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.287 13.446 5.524 1.00 0.00 H new ATOM 0 HB3 ASN X 5 64.214 12.736 6.713 1.00 0.00 H new ATOM 0 HD21 ASN X 5 66.547 12.895 9.404 1.00 0.00 H new ATOM 0 HD22 ASN X 5 65.032 12.203 8.815 1.00 0.00 H new ATOM 71 N SER X 6 67.695 10.615 6.270 1.00 0.00 N ATOM 72 CA SER X 6 69.122 10.476 6.106 1.00 0.00 C ATOM 73 C SER X 6 69.568 9.072 6.472 1.00 0.00 C ATOM 74 O SER X 6 68.823 8.330 7.119 1.00 0.00 O ATOM 75 CB SER X 6 69.829 11.468 7.016 1.00 0.00 C ATOM 76 OG SER X 6 69.481 11.223 8.371 1.00 0.00 O ATOM 0 H SER X 6 67.343 10.283 7.168 1.00 0.00 H new ATOM 0 HA SER X 6 69.374 10.669 5.063 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.908 11.384 6.889 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.554 12.486 6.740 1.00 0.00 H new ATOM 0 HG SER X 6 69.943 11.866 8.949 1.00 0.00 H new ATOM 82 N ILE X 7 70.803 8.740 6.102 1.00 0.00 N ATOM 83 CA ILE X 7 71.404 7.440 6.392 1.00 0.00 C ATOM 84 C ILE X 7 71.632 7.297 7.913 1.00 0.00 C ATOM 85 O ILE X 7 71.599 6.207 8.466 1.00 0.00 O ATOM 86 CB ILE X 7 72.779 7.310 5.640 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.336 5.884 5.672 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.813 8.297 6.160 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.542 4.918 4.851 1.00 0.00 C ATOM 0 H ILE X 7 71.419 9.370 5.589 1.00 0.00 H new ATOM 0 HA ILE X 7 70.731 6.653 6.052 1.00 0.00 H new ATOM 0 HB ILE X 7 72.570 7.557 4.599 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.365 5.895 5.312 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.363 5.535 6.704 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.746 8.170 5.611 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.447 9.314 6.022 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.989 8.115 7.220 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.992 3.927 4.918 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.519 4.878 5.225 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.536 5.244 3.811 1.00 0.00 H new ATOM 101 N SER X 8 71.763 8.434 8.575 1.00 0.00 N ATOM 102 CA SER X 8 72.105 8.491 9.970 1.00 0.00 C ATOM 103 C SER X 8 70.911 8.174 10.873 1.00 0.00 C ATOM 104 O SER X 8 71.072 7.961 12.067 1.00 0.00 O ATOM 105 CB SER X 8 72.678 9.869 10.265 1.00 0.00 C ATOM 106 OG SER X 8 73.734 10.150 9.350 1.00 0.00 O ATOM 0 H SER X 8 71.631 9.350 8.146 1.00 0.00 H new ATOM 0 HA SER X 8 72.850 7.726 10.187 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.898 10.625 10.180 1.00 0.00 H new ATOM 0 HB3 SER X 8 73.049 9.909 11.289 1.00 0.00 H new ATOM 0 HG SER X 8 74.102 11.038 9.538 1.00 0.00 H new ATOM 112 N ASP X 9 69.719 8.130 10.305 1.00 0.00 N ATOM 113 CA ASP X 9 68.529 7.793 11.091 1.00 0.00 C ATOM 114 C ASP X 9 68.204 6.330 10.858 1.00 0.00 C ATOM 115 O ASP X 9 67.280 5.776 11.425 1.00 0.00 O ATOM 116 CB ASP X 9 67.321 8.645 10.673 1.00 0.00 C ATOM 117 CG ASP X 9 66.181 8.640 11.682 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.406 8.334 12.867 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.036 8.986 11.305 1.00 0.00 O ATOM 0 H ASP X 9 69.542 8.319 9.318 1.00 0.00 H new ATOM 0 HA ASP X 9 68.735 7.990 12.143 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.650 9.672 10.517 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.947 8.282 9.716 1.00 0.00 H new ATOM 124 N TYR X 10 69.018 5.696 10.068 1.00 0.00 N ATOM 125 CA TYR X 10 68.774 4.339 9.661 1.00 0.00 C ATOM 126 C TYR X 10 69.575 3.416 10.488 1.00 0.00 C ATOM 127 O TYR X 10 70.788 3.548 10.559 1.00 0.00 O ATOM 128 CB TYR X 10 69.110 4.092 8.167 1.00 0.00 C ATOM 129 CG TYR X 10 67.984 4.358 7.187 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.986 3.417 7.008 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.916 5.528 6.446 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.948 3.622 6.131 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.867 5.754 5.563 1.00 0.00 C ATOM 134 CZ TYR X 10 65.889 4.789 5.414 1.00 0.00 C ATOM 135 OH TYR X 10 64.829 5.012 4.579 1.00 0.00 O ATOM 0 H TYR X 10 69.872 6.103 9.686 1.00 0.00 H new ATOM 0 HA TYR X 10 67.708 4.156 9.798 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.959 4.720 7.896 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.430 3.056 8.052 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.024 2.497 7.572 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.689 6.274 6.557 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.184 2.869 6.007 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.817 6.674 4.999 1.00 0.00 H new ATOM 0 HH TYR X 10 65.139 5.477 3.774 1.00 0.00 H new ATOM 145 N THR X 11 68.922 2.522 11.159 1.00 0.00 N ATOM 146 CA THR X 11 69.618 1.480 11.820 1.00 0.00 C ATOM 147 C THR X 11 69.944 0.477 10.740 1.00 0.00 C ATOM 148 O THR X 11 69.407 0.590 9.620 1.00 0.00 O ATOM 149 CB THR X 11 68.754 0.810 12.917 1.00 0.00 C ATOM 150 OG1 THR X 11 67.588 0.218 12.335 1.00 0.00 O ATOM 151 CG2 THR X 11 68.328 1.818 13.964 1.00 0.00 C ATOM 0 H THR X 11 67.907 2.498 11.260 1.00 0.00 H new ATOM 0 HA THR X 11 70.505 1.865 12.324 1.00 0.00 H new ATOM 0 HB THR X 11 69.360 0.039 13.394 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.050 -0.204 13.037 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.723 1.321 14.722 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.212 2.252 14.432 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.743 2.607 13.492 1.00 0.00 H new ATOM 159 N GLU X 12 70.786 -0.470 11.013 1.00 0.00 N ATOM 160 CA GLU X 12 71.088 -1.454 10.007 1.00 0.00 C ATOM 161 C GLU X 12 69.840 -2.226 9.565 1.00 0.00 C ATOM 162 O GLU X 12 69.621 -2.406 8.382 1.00 0.00 O ATOM 163 CB GLU X 12 72.253 -2.347 10.410 1.00 0.00 C ATOM 164 CG GLU X 12 72.213 -2.849 11.839 1.00 0.00 C ATOM 165 CD GLU X 12 73.403 -3.708 12.144 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.467 -3.162 12.489 1.00 0.00 O ATOM 167 OE2 GLU X 12 73.315 -4.939 12.010 1.00 0.00 O ATOM 0 H GLU X 12 71.271 -0.587 11.903 1.00 0.00 H new ATOM 0 HA GLU X 12 71.428 -0.920 9.120 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.281 -3.206 9.740 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.182 -1.796 10.261 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.187 -2.002 12.524 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.298 -3.419 12.002 1.00 0.00 H new ATOM 174 N ALA X 13 68.989 -2.598 10.508 1.00 0.00 N ATOM 175 CA ALA X 13 67.743 -3.287 10.170 1.00 0.00 C ATOM 176 C ALA X 13 66.743 -2.338 9.476 1.00 0.00 C ATOM 177 O ALA X 13 66.048 -2.749 8.559 1.00 0.00 O ATOM 178 CB ALA X 13 67.124 -3.952 11.383 1.00 0.00 C ATOM 0 H ALA X 13 69.131 -2.439 11.505 1.00 0.00 H new ATOM 0 HA ALA X 13 67.993 -4.076 9.461 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.201 -4.453 11.092 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.821 -4.684 11.792 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.905 -3.198 12.139 1.00 0.00 H new ATOM 184 N GLU X 14 66.668 -1.070 9.918 1.00 0.00 N ATOM 185 CA GLU X 14 65.815 -0.075 9.232 1.00 0.00 C ATOM 186 C GLU X 14 66.256 0.081 7.801 1.00 0.00 C ATOM 187 O GLU X 14 65.438 0.256 6.890 1.00 0.00 O ATOM 188 CB GLU X 14 65.856 1.295 9.923 1.00 0.00 C ATOM 189 CG GLU X 14 64.956 1.420 11.135 1.00 0.00 C ATOM 190 CD GLU X 14 63.504 1.423 10.756 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.893 0.342 10.632 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.938 2.512 10.545 1.00 0.00 O ATOM 0 H GLU X 14 67.174 -0.713 10.728 1.00 0.00 H new ATOM 0 HA GLU X 14 64.791 -0.445 9.274 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.882 1.503 10.226 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.576 2.060 9.199 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.151 0.594 11.819 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.193 2.339 11.670 1.00 0.00 H new ATOM 199 N PHE X 15 67.551 -0.001 7.602 1.00 0.00 N ATOM 200 CA PHE X 15 68.097 0.117 6.303 1.00 0.00 C ATOM 201 C PHE X 15 67.759 -1.110 5.491 1.00 0.00 C ATOM 202 O PHE X 15 67.310 -0.982 4.369 1.00 0.00 O ATOM 203 CB PHE X 15 69.596 0.338 6.339 1.00 0.00 C ATOM 204 CG PHE X 15 70.118 0.882 5.055 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.736 2.138 4.625 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.987 0.157 4.285 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.215 2.644 3.446 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.470 0.661 3.105 1.00 0.00 C ATOM 209 CZ PHE X 15 71.081 1.904 2.690 1.00 0.00 C ATOM 0 H PHE X 15 68.238 -0.151 8.341 1.00 0.00 H new ATOM 0 HA PHE X 15 67.654 0.994 5.830 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.840 1.026 7.148 1.00 0.00 H new ATOM 0 HB3 PHE X 15 70.095 -0.605 6.561 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.055 2.725 5.223 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.296 -0.825 4.611 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.909 3.625 3.114 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.155 0.079 2.506 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.460 2.303 1.761 1.00 0.00 H new ATOM 219 N VAL X 16 67.938 -2.310 6.073 1.00 0.00 N ATOM 220 CA VAL X 16 67.629 -3.542 5.348 1.00 0.00 C ATOM 221 C VAL X 16 66.144 -3.601 5.002 1.00 0.00 C ATOM 222 O VAL X 16 65.768 -4.166 4.000 1.00 0.00 O ATOM 223 CB VAL X 16 68.082 -4.857 6.064 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.494 -4.811 6.536 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.146 -5.306 7.126 1.00 0.00 C ATOM 0 H VAL X 16 68.287 -2.446 7.022 1.00 0.00 H new ATOM 0 HA VAL X 16 68.222 -3.496 4.435 1.00 0.00 H new ATOM 0 HB VAL X 16 68.044 -5.624 5.290 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.746 -5.753 7.023 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.157 -4.654 5.685 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.614 -3.992 7.245 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.523 -6.223 7.579 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.063 -4.532 7.889 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.165 -5.494 6.691 1.00 0.00 H new ATOM 235 N GLN X 17 65.323 -2.987 5.843 1.00 0.00 N ATOM 236 CA GLN X 17 63.908 -2.839 5.622 1.00 0.00 C ATOM 237 C GLN X 17 63.667 -2.041 4.338 1.00 0.00 C ATOM 238 O GLN X 17 62.915 -2.484 3.469 1.00 0.00 O ATOM 239 CB GLN X 17 63.308 -2.164 6.865 1.00 0.00 C ATOM 240 CG GLN X 17 61.985 -1.475 6.673 1.00 0.00 C ATOM 241 CD GLN X 17 60.874 -2.375 6.204 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.834 -3.579 6.507 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.999 -1.817 5.443 1.00 0.00 N ATOM 0 H GLN X 17 65.640 -2.570 6.718 1.00 0.00 H new ATOM 0 HA GLN X 17 63.419 -3.803 5.483 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.191 -2.919 7.642 1.00 0.00 H new ATOM 0 HB3 GLN X 17 64.025 -1.432 7.237 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.689 -1.015 7.616 1.00 0.00 H new ATOM 0 HG3 GLN X 17 62.111 -0.668 5.951 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.074 -0.824 5.222 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.230 -2.368 5.061 1.00 0.00 H new ATOM 252 N LEU X 18 64.345 -0.905 4.213 1.00 0.00 N ATOM 253 CA LEU X 18 64.289 -0.086 2.999 1.00 0.00 C ATOM 254 C LEU X 18 64.723 -0.903 1.818 1.00 0.00 C ATOM 255 O LEU X 18 64.069 -0.939 0.794 1.00 0.00 O ATOM 256 CB LEU X 18 65.248 1.092 3.125 1.00 0.00 C ATOM 257 CG LEU X 18 65.548 1.859 1.818 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.359 2.647 1.308 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.757 2.736 1.968 1.00 0.00 C ATOM 0 H LEU X 18 64.947 -0.524 4.944 1.00 0.00 H new ATOM 0 HA LEU X 18 63.266 0.267 2.867 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.837 1.795 3.850 1.00 0.00 H new ATOM 0 HB3 LEU X 18 66.190 0.727 3.534 1.00 0.00 H new ATOM 0 HG LEU X 18 65.764 1.104 1.062 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.632 3.164 0.388 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.530 1.967 1.110 1.00 0.00 H new ATOM 0 HD13 LEU X 18 64.058 3.378 2.059 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.943 3.263 1.032 1.00 0.00 H new ATOM 0 HD22 LEU X 18 66.585 3.460 2.764 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.623 2.123 2.217 1.00 0.00 H new ATOM 271 N LEU X 19 65.808 -1.583 2.013 1.00 0.00 N ATOM 272 CA LEU X 19 66.431 -2.416 1.026 1.00 0.00 C ATOM 273 C LEU X 19 65.500 -3.497 0.526 1.00 0.00 C ATOM 274 O LEU X 19 65.461 -3.782 -0.664 1.00 0.00 O ATOM 275 CB LEU X 19 67.660 -2.987 1.638 1.00 0.00 C ATOM 276 CG LEU X 19 68.701 -1.945 2.024 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.965 -2.568 2.413 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.916 -0.919 0.952 1.00 0.00 C ATOM 0 H LEU X 19 66.308 -1.574 2.902 1.00 0.00 H new ATOM 0 HA LEU X 19 66.687 -1.824 0.147 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.381 -3.554 2.526 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.109 -3.692 0.938 1.00 0.00 H new ATOM 0 HG LEU X 19 68.301 -1.419 2.891 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.684 -1.794 2.682 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.800 -3.223 3.268 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.355 -3.152 1.579 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.668 -0.201 1.281 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.257 -1.411 0.041 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.979 -0.398 0.754 1.00 0.00 H new ATOM 290 N LYS X 20 64.716 -4.058 1.426 1.00 0.00 N ATOM 291 CA LYS X 20 63.722 -5.046 1.062 1.00 0.00 C ATOM 292 C LYS X 20 62.597 -4.394 0.295 1.00 0.00 C ATOM 293 O LYS X 20 62.078 -4.957 -0.668 1.00 0.00 O ATOM 294 CB LYS X 20 63.141 -5.719 2.278 1.00 0.00 C ATOM 295 CG LYS X 20 64.120 -6.511 3.106 1.00 0.00 C ATOM 296 CD LYS X 20 63.407 -7.220 4.235 1.00 0.00 C ATOM 297 CE LYS X 20 64.377 -7.907 5.173 1.00 0.00 C ATOM 298 NZ LYS X 20 63.675 -8.545 6.303 1.00 0.00 N ATOM 0 H LYS X 20 64.750 -3.843 2.423 1.00 0.00 H new ATOM 0 HA LYS X 20 64.220 -5.794 0.445 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.687 -4.958 2.912 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.340 -6.385 1.956 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.632 -7.239 2.477 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.884 -5.847 3.511 1.00 0.00 H new ATOM 0 HD2 LYS X 20 62.809 -6.501 4.795 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.717 -7.957 3.823 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.945 -8.659 4.625 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.095 -7.180 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.368 -9.006 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.153 -7.823 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.008 -9.256 5.941 1.00 0.00 H new ATOM 312 N GLU X 21 62.221 -3.198 0.719 1.00 0.00 N ATOM 313 CA GLU X 21 61.181 -2.465 0.045 1.00 0.00 C ATOM 314 C GLU X 21 61.590 -2.125 -1.374 1.00 0.00 C ATOM 315 O GLU X 21 60.753 -2.165 -2.297 1.00 0.00 O ATOM 316 CB GLU X 21 60.739 -1.217 0.814 1.00 0.00 C ATOM 317 CG GLU X 21 60.077 -1.521 2.144 1.00 0.00 C ATOM 318 CD GLU X 21 59.440 -0.311 2.802 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.245 -0.037 2.526 1.00 0.00 O ATOM 320 OE2 GLU X 21 60.074 0.343 3.638 1.00 0.00 O ATOM 0 H GLU X 21 62.624 -2.722 1.526 1.00 0.00 H new ATOM 0 HA GLU X 21 60.311 -3.121 0.003 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.608 -0.582 0.988 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.046 -0.647 0.195 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.314 -2.285 1.993 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.820 -1.942 2.821 1.00 0.00 H new ATOM 327 N ILE X 22 62.871 -1.803 -1.559 1.00 0.00 N ATOM 328 CA ILE X 22 63.386 -1.540 -2.886 1.00 0.00 C ATOM 329 C ILE X 22 63.330 -2.817 -3.705 1.00 0.00 C ATOM 330 O ILE X 22 62.821 -2.824 -4.807 1.00 0.00 O ATOM 331 CB ILE X 22 64.853 -1.067 -2.867 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.059 0.053 -1.854 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.226 -0.579 -4.250 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.482 0.562 -1.758 1.00 0.00 C ATOM 0 H ILE X 22 63.558 -1.721 -0.810 1.00 0.00 H new ATOM 0 HA ILE X 22 62.770 -0.750 -3.316 1.00 0.00 H new ATOM 0 HB ILE X 22 65.488 -1.903 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.406 0.886 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.747 -0.301 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.262 -0.241 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.110 -1.392 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.575 0.249 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.535 1.357 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.141 -0.255 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.795 0.951 -2.727 1.00 0.00 H new ATOM 346 N GLU X 23 63.791 -3.894 -3.097 1.00 0.00 N ATOM 347 CA GLU X 23 63.858 -5.219 -3.706 1.00 0.00 C ATOM 348 C GLU X 23 62.511 -5.724 -4.176 1.00 0.00 C ATOM 349 O GLU X 23 62.396 -6.316 -5.265 1.00 0.00 O ATOM 350 CB GLU X 23 64.437 -6.177 -2.701 1.00 0.00 C ATOM 351 CG GLU X 23 65.929 -6.326 -2.789 1.00 0.00 C ATOM 352 CD GLU X 23 66.306 -7.236 -3.932 1.00 0.00 C ATOM 353 OE1 GLU X 23 66.244 -6.806 -5.100 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.601 -8.442 -3.669 1.00 0.00 O ATOM 0 H GLU X 23 64.140 -3.876 -2.139 1.00 0.00 H new ATOM 0 HA GLU X 23 64.488 -5.147 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU X 23 64.174 -5.839 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.976 -7.155 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.390 -5.348 -2.929 1.00 0.00 H new ATOM 0 HG3 GLU X 23 66.315 -6.730 -1.853 1.00 0.00 H new ATOM 361 N LYS X 24 61.505 -5.467 -3.389 1.00 0.00 N ATOM 362 CA LYS X 24 60.165 -5.885 -3.694 1.00 0.00 C ATOM 363 C LYS X 24 59.664 -5.282 -5.016 1.00 0.00 C ATOM 364 O LYS X 24 59.163 -6.008 -5.888 1.00 0.00 O ATOM 365 CB LYS X 24 59.228 -5.558 -2.523 1.00 0.00 C ATOM 366 CG LYS X 24 57.759 -5.808 -2.809 1.00 0.00 C ATOM 367 CD LYS X 24 57.474 -7.252 -3.189 1.00 0.00 C ATOM 368 CE LYS X 24 56.052 -7.402 -3.691 1.00 0.00 C ATOM 369 NZ LYS X 24 55.845 -6.662 -4.963 1.00 0.00 N ATOM 0 H LYS X 24 61.592 -4.957 -2.510 1.00 0.00 H new ATOM 0 HA LYS X 24 60.169 -6.966 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.524 -6.153 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.360 -4.511 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.172 -5.545 -1.929 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.433 -5.153 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS X 24 58.173 -7.575 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.630 -7.898 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.827 -8.458 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.357 -7.033 -2.936 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 54.915 -6.906 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 55.886 -5.639 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.589 -6.923 -5.641 1.00 0.00 H new ATOM 383 N GLU X 25 59.823 -3.989 -5.197 1.00 0.00 N ATOM 384 CA GLU X 25 59.365 -3.385 -6.404 1.00 0.00 C ATOM 385 C GLU X 25 60.468 -3.340 -7.461 1.00 0.00 C ATOM 386 O GLU X 25 60.249 -2.895 -8.583 1.00 0.00 O ATOM 387 CB GLU X 25 58.769 -2.022 -6.136 1.00 0.00 C ATOM 388 CG GLU X 25 57.630 -2.037 -5.120 1.00 0.00 C ATOM 389 CD GLU X 25 56.484 -2.956 -5.476 1.00 0.00 C ATOM 390 OE1 GLU X 25 56.504 -4.127 -5.097 1.00 0.00 O ATOM 391 OE2 GLU X 25 55.510 -2.501 -6.076 1.00 0.00 O ATOM 0 H GLU X 25 60.260 -3.354 -4.529 1.00 0.00 H new ATOM 0 HA GLU X 25 58.569 -4.008 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU X 25 59.554 -1.356 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU X 25 58.401 -1.606 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.029 -2.334 -4.150 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.245 -1.023 -5.010 1.00 0.00 H new ATOM 398 N ASN X 26 61.644 -3.818 -7.085 1.00 0.00 N ATOM 399 CA ASN X 26 62.785 -3.970 -7.997 1.00 0.00 C ATOM 400 C ASN X 26 62.489 -5.094 -8.948 1.00 0.00 C ATOM 401 O ASN X 26 62.505 -4.917 -10.156 1.00 0.00 O ATOM 402 CB ASN X 26 64.079 -4.283 -7.202 1.00 0.00 C ATOM 403 CG ASN X 26 65.295 -4.653 -8.057 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.445 -4.217 -9.200 1.00 0.00 O ATOM 405 ND2 ASN X 26 66.170 -5.464 -7.511 1.00 0.00 N ATOM 0 H ASN X 26 61.843 -4.116 -6.130 1.00 0.00 H new ATOM 0 HA ASN X 26 62.938 -3.041 -8.546 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.333 -3.414 -6.595 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.875 -5.104 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN X 26 66.998 -5.748 -8.034 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.022 -5.811 -6.563 1.00 0.00 H new ATOM 412 N VAL X 27 62.150 -6.242 -8.393 1.00 0.00 N ATOM 413 CA VAL X 27 61.844 -7.418 -9.195 1.00 0.00 C ATOM 414 C VAL X 27 60.550 -7.243 -9.999 1.00 0.00 C ATOM 415 O VAL X 27 60.402 -7.803 -11.078 1.00 0.00 O ATOM 416 CB VAL X 27 61.805 -8.723 -8.348 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.192 -9.034 -7.809 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.818 -8.602 -7.194 1.00 0.00 C ATOM 0 H VAL X 27 62.079 -6.389 -7.386 1.00 0.00 H new ATOM 0 HA VAL X 27 62.664 -7.522 -9.906 1.00 0.00 H new ATOM 0 HB VAL X 27 61.475 -9.536 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.156 -9.949 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.884 -9.167 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.532 -8.210 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.813 -9.529 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.114 -7.777 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.819 -8.414 -7.588 1.00 0.00 H new ATOM 428 N ALA X 28 59.638 -6.435 -9.484 1.00 0.00 N ATOM 429 CA ALA X 28 58.392 -6.156 -10.180 1.00 0.00 C ATOM 430 C ALA X 28 58.599 -5.048 -11.218 1.00 0.00 C ATOM 431 O ALA X 28 57.860 -4.958 -12.213 1.00 0.00 O ATOM 432 CB ALA X 28 57.315 -5.753 -9.183 1.00 0.00 C ATOM 0 H ALA X 28 59.737 -5.961 -8.586 1.00 0.00 H new ATOM 0 HA ALA X 28 58.069 -7.059 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.386 -5.546 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.154 -6.565 -8.473 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.632 -4.859 -8.646 1.00 0.00 H new ATOM 438 N ALA X 29 59.633 -4.245 -10.978 1.00 0.00 N ATOM 439 CA ALA X 29 60.005 -3.080 -11.773 1.00 0.00 C ATOM 440 C ALA X 29 58.871 -2.081 -11.878 1.00 0.00 C ATOM 441 O ALA X 29 58.212 -1.962 -12.914 1.00 0.00 O ATOM 442 CB ALA X 29 60.571 -3.446 -13.142 1.00 0.00 C ATOM 0 H ALA X 29 60.261 -4.396 -10.189 1.00 0.00 H new ATOM 0 HA ALA X 29 60.817 -2.594 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA X 29 60.828 -2.536 -13.684 1.00 0.00 H new ATOM 0 HB2 ALA X 29 61.464 -4.058 -13.015 1.00 0.00 H new ATOM 0 HB3 ALA X 29 59.825 -4.006 -13.706 1.00 0.00 H new ATOM 448 N THR X 30 58.590 -1.421 -10.792 1.00 0.00 N ATOM 449 CA THR X 30 57.543 -0.433 -10.756 1.00 0.00 C ATOM 450 C THR X 30 58.137 0.920 -11.085 1.00 0.00 C ATOM 451 O THR X 30 59.245 0.989 -11.638 1.00 0.00 O ATOM 452 CB THR X 30 56.890 -0.410 -9.368 1.00 0.00 C ATOM 453 OG1 THR X 30 57.870 -0.147 -8.371 1.00 0.00 O ATOM 454 CG2 THR X 30 56.232 -1.735 -9.086 1.00 0.00 C ATOM 0 H THR X 30 59.078 -1.550 -9.906 1.00 0.00 H new ATOM 0 HA THR X 30 56.775 -0.679 -11.489 1.00 0.00 H new ATOM 0 HB THR X 30 56.137 0.378 -9.350 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.637 0.676 -7.892 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.771 -1.710 -8.099 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.468 -1.929 -9.838 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.980 -2.527 -9.117 1.00 0.00 H new ATOM 462 N ASP X 31 57.440 1.982 -10.801 1.00 0.00 N ATOM 463 CA ASP X 31 58.014 3.283 -11.059 1.00 0.00 C ATOM 464 C ASP X 31 57.816 4.212 -9.908 1.00 0.00 C ATOM 465 O ASP X 31 58.725 4.949 -9.542 1.00 0.00 O ATOM 466 CB ASP X 31 57.493 3.922 -12.362 1.00 0.00 C ATOM 467 CG ASP X 31 56.044 4.398 -12.278 1.00 0.00 C ATOM 468 OD1 ASP X 31 55.117 3.570 -12.447 1.00 0.00 O ATOM 469 OD2 ASP X 31 55.812 5.611 -12.022 1.00 0.00 O ATOM 0 H ASP X 31 56.501 1.983 -10.403 1.00 0.00 H new ATOM 0 HA ASP X 31 59.083 3.115 -11.188 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.129 4.768 -12.620 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.581 3.198 -13.172 1.00 0.00 H new ATOM 474 N ASP X 32 56.672 4.142 -9.292 1.00 0.00 N ATOM 475 CA ASP X 32 56.325 5.103 -8.277 1.00 0.00 C ATOM 476 C ASP X 32 57.172 4.975 -7.048 1.00 0.00 C ATOM 477 O ASP X 32 57.850 5.922 -6.681 1.00 0.00 O ATOM 478 CB ASP X 32 54.836 5.090 -7.960 1.00 0.00 C ATOM 479 CG ASP X 32 54.435 6.163 -6.979 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.436 7.349 -7.345 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.102 5.850 -5.832 1.00 0.00 O ATOM 0 H ASP X 32 55.962 3.432 -9.472 1.00 0.00 H new ATOM 0 HA ASP X 32 56.547 6.085 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.272 5.220 -8.884 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.564 4.115 -7.555 1.00 0.00 H new ATOM 486 N VAL X 33 57.219 3.810 -6.464 1.00 0.00 N ATOM 487 CA VAL X 33 57.995 3.672 -5.241 1.00 0.00 C ATOM 488 C VAL X 33 59.426 3.413 -5.618 1.00 0.00 C ATOM 489 O VAL X 33 60.339 3.825 -4.942 1.00 0.00 O ATOM 490 CB VAL X 33 57.491 2.534 -4.298 1.00 0.00 C ATOM 491 CG1 VAL X 33 58.045 1.183 -4.649 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.722 2.866 -2.845 1.00 0.00 C ATOM 0 H VAL X 33 56.752 2.965 -6.791 1.00 0.00 H new ATOM 0 HA VAL X 33 57.884 4.600 -4.680 1.00 0.00 H new ATOM 0 HB VAL X 33 56.415 2.471 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL X 33 57.655 0.438 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL X 33 57.750 0.922 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL X 33 59.133 1.207 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.357 2.049 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.788 3.008 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.187 3.781 -2.592 1.00 0.00 H new ATOM 502 N LEU X 34 59.582 2.795 -6.769 1.00 0.00 N ATOM 503 CA LEU X 34 60.845 2.374 -7.297 1.00 0.00 C ATOM 504 C LEU X 34 61.735 3.575 -7.447 1.00 0.00 C ATOM 505 O LEU X 34 62.830 3.596 -6.899 1.00 0.00 O ATOM 506 CB LEU X 34 60.560 1.661 -8.630 1.00 0.00 C ATOM 507 CG LEU X 34 61.685 0.924 -9.378 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.487 1.872 -10.226 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.580 0.137 -8.424 1.00 0.00 C ATOM 0 H LEU X 34 58.797 2.567 -7.380 1.00 0.00 H new ATOM 0 HA LEU X 34 61.368 1.680 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.768 0.935 -8.444 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.154 2.407 -9.313 1.00 0.00 H new ATOM 0 HG LEU X 34 61.212 0.202 -10.043 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.274 1.322 -10.742 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.834 2.345 -10.960 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.935 2.637 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.361 -0.369 -8.992 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.036 0.819 -7.707 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.982 -0.603 -7.891 1.00 0.00 H new ATOM 521 N ASP X 35 61.233 4.623 -8.069 1.00 0.00 N ATOM 522 CA ASP X 35 62.040 5.779 -8.257 1.00 0.00 C ATOM 523 C ASP X 35 62.192 6.608 -7.010 1.00 0.00 C ATOM 524 O ASP X 35 63.083 7.459 -6.939 1.00 0.00 O ATOM 525 CB ASP X 35 61.618 6.589 -9.450 1.00 0.00 C ATOM 526 CG ASP X 35 62.063 5.981 -10.770 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.258 6.131 -11.139 1.00 0.00 O ATOM 528 OD2 ASP X 35 61.230 5.367 -11.479 1.00 0.00 O ATOM 0 H ASP X 35 60.286 4.685 -8.442 1.00 0.00 H new ATOM 0 HA ASP X 35 63.040 5.408 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.532 6.687 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP X 35 62.029 7.595 -9.363 1.00 0.00 H new ATOM 533 N VAL X 36 61.341 6.385 -6.016 1.00 0.00 N ATOM 534 CA VAL X 36 61.570 7.048 -4.741 1.00 0.00 C ATOM 535 C VAL X 36 62.746 6.414 -4.106 1.00 0.00 C ATOM 536 O VAL X 36 63.712 7.064 -3.753 1.00 0.00 O ATOM 537 CB VAL X 36 60.460 6.801 -3.699 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.775 7.530 -2.429 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.124 7.176 -4.156 1.00 0.00 C ATOM 0 H VAL X 36 60.522 5.779 -6.062 1.00 0.00 H new ATOM 0 HA VAL X 36 61.653 8.110 -4.973 1.00 0.00 H new ATOM 0 HB VAL X 36 60.442 5.724 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.985 7.349 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.725 7.173 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.845 8.599 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.399 6.972 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.107 8.239 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL X 36 58.867 6.597 -5.043 1.00 0.00 H new ATOM 549 N LEU X 37 62.675 5.122 -4.064 1.00 0.00 N ATOM 550 CA LEU X 37 63.575 4.334 -3.314 1.00 0.00 C ATOM 551 C LEU X 37 64.932 4.370 -3.868 1.00 0.00 C ATOM 552 O LEU X 37 65.889 4.492 -3.129 1.00 0.00 O ATOM 553 CB LEU X 37 63.095 2.932 -3.225 1.00 0.00 C ATOM 554 CG LEU X 37 61.690 2.728 -2.628 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.301 1.271 -2.645 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.603 3.282 -1.211 1.00 0.00 C ATOM 0 H LEU X 37 61.970 4.581 -4.565 1.00 0.00 H new ATOM 0 HA LEU X 37 63.617 4.761 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.107 2.502 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.807 2.364 -2.626 1.00 0.00 H new ATOM 0 HG LEU X 37 60.988 3.281 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.305 1.155 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.300 0.907 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU X 37 62.017 0.696 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.599 3.122 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.326 2.771 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.822 4.350 -1.224 1.00 0.00 H new ATOM 568 N LEU X 38 65.011 4.288 -5.164 1.00 0.00 N ATOM 569 CA LEU X 38 66.264 4.316 -5.837 1.00 0.00 C ATOM 570 C LEU X 38 67.005 5.605 -5.529 1.00 0.00 C ATOM 571 O LEU X 38 68.176 5.574 -5.154 1.00 0.00 O ATOM 572 CB LEU X 38 66.065 4.118 -7.335 1.00 0.00 C ATOM 573 CG LEU X 38 65.494 2.769 -7.792 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.656 2.615 -9.271 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.111 1.591 -7.060 1.00 0.00 C ATOM 0 H LEU X 38 64.203 4.200 -5.780 1.00 0.00 H new ATOM 0 HA LEU X 38 66.880 3.493 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.403 4.905 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.027 4.262 -7.826 1.00 0.00 H new ATOM 0 HG LEU X 38 64.433 2.769 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.247 1.654 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.125 3.419 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.714 2.660 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.669 0.664 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.186 1.575 -7.238 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.922 1.687 -5.991 1.00 0.00 H new ATOM 587 N GLU X 39 66.295 6.717 -5.600 1.00 0.00 N ATOM 588 CA GLU X 39 66.878 8.007 -5.291 1.00 0.00 C ATOM 589 C GLU X 39 67.161 8.158 -3.816 1.00 0.00 C ATOM 590 O GLU X 39 68.208 8.682 -3.428 1.00 0.00 O ATOM 591 CB GLU X 39 65.953 9.111 -5.695 1.00 0.00 C ATOM 592 CG GLU X 39 65.947 9.446 -7.151 1.00 0.00 C ATOM 593 CD GLU X 39 67.283 9.956 -7.603 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.631 11.120 -7.289 1.00 0.00 O ATOM 595 OE2 GLU X 39 68.028 9.220 -8.259 1.00 0.00 O ATOM 0 H GLU X 39 65.312 6.751 -5.870 1.00 0.00 H new ATOM 0 HA GLU X 39 67.814 8.066 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.940 8.839 -5.399 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.219 10.007 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.680 8.561 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU X 39 65.183 10.198 -7.349 1.00 0.00 H new ATOM 602 N HIS X 40 66.217 7.732 -3.015 1.00 0.00 N ATOM 603 CA HIS X 40 66.282 7.853 -1.579 1.00 0.00 C ATOM 604 C HIS X 40 67.487 7.121 -1.052 1.00 0.00 C ATOM 605 O HIS X 40 68.266 7.660 -0.282 1.00 0.00 O ATOM 606 CB HIS X 40 64.992 7.277 -0.964 1.00 0.00 C ATOM 607 CG HIS X 40 64.890 7.372 0.527 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.105 8.281 1.184 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.485 6.629 1.490 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.245 8.076 2.485 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.075 7.079 2.727 1.00 0.00 N ATOM 0 H HIS X 40 65.365 7.282 -3.349 1.00 0.00 H new ATOM 0 HA HIS X 40 66.373 8.904 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.139 7.794 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.911 6.228 -1.250 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.516 8.991 0.748 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.172 5.814 1.317 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.744 8.651 3.250 1.00 0.00 H new ATOM 619 N PHE X 41 67.658 5.938 -1.532 1.00 0.00 N ATOM 620 CA PHE X 41 68.730 5.089 -1.152 1.00 0.00 C ATOM 621 C PHE X 41 70.082 5.707 -1.525 1.00 0.00 C ATOM 622 O PHE X 41 70.973 5.821 -0.689 1.00 0.00 O ATOM 623 CB PHE X 41 68.497 3.739 -1.802 1.00 0.00 C ATOM 624 CG PHE X 41 69.647 2.818 -1.805 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.038 2.163 -0.661 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.345 2.612 -2.961 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.119 1.306 -0.685 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.412 1.768 -2.980 1.00 0.00 C ATOM 629 CZ PHE X 41 71.803 1.114 -1.855 1.00 0.00 C ATOM 0 H PHE X 41 67.033 5.522 -2.223 1.00 0.00 H new ATOM 0 HA PHE X 41 68.761 4.961 -0.070 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.667 3.251 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.185 3.903 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.497 2.320 0.260 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.048 3.122 -3.865 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.424 0.790 0.214 1.00 0.00 H new ATOM 0 HE2 PHE X 41 71.955 1.616 -3.901 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.650 0.445 -1.884 1.00 0.00 H new ATOM 639 N VAL X 42 70.221 6.129 -2.747 1.00 0.00 N ATOM 640 CA VAL X 42 71.458 6.740 -3.203 1.00 0.00 C ATOM 641 C VAL X 42 71.740 8.090 -2.541 1.00 0.00 C ATOM 642 O VAL X 42 72.879 8.463 -2.355 1.00 0.00 O ATOM 643 CB VAL X 42 71.582 6.768 -4.747 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.539 7.563 -5.397 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.957 7.145 -5.236 1.00 0.00 C ATOM 0 H VAL X 42 69.493 6.065 -3.459 1.00 0.00 H new ATOM 0 HA VAL X 42 72.259 6.085 -2.862 1.00 0.00 H new ATOM 0 HB VAL X 42 71.422 5.734 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.684 7.541 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.561 7.148 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.594 8.593 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL X 42 72.969 7.144 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.213 8.140 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.686 6.424 -4.865 1.00 0.00 H new ATOM 655 N LYS X 43 70.715 8.815 -2.196 1.00 0.00 N ATOM 656 CA LYS X 43 70.915 10.119 -1.545 1.00 0.00 C ATOM 657 C LYS X 43 71.382 9.954 -0.102 1.00 0.00 C ATOM 658 O LYS X 43 72.168 10.753 0.386 1.00 0.00 O ATOM 659 CB LYS X 43 69.654 11.014 -1.599 1.00 0.00 C ATOM 660 CG LYS X 43 68.592 10.739 -0.507 1.00 0.00 C ATOM 661 CD LYS X 43 67.350 11.589 -0.716 1.00 0.00 C ATOM 662 CE LYS X 43 66.340 11.387 0.403 1.00 0.00 C ATOM 663 NZ LYS X 43 65.150 12.239 0.224 1.00 0.00 N ATOM 0 H LYS X 43 69.741 8.550 -2.342 1.00 0.00 H new ATOM 0 HA LYS X 43 71.697 10.623 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.966 12.056 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.185 10.892 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.319 9.684 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.016 10.947 0.476 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.632 12.641 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.891 11.335 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS X 43 66.037 10.341 0.435 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.808 11.613 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 64.484 12.074 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.436 13.239 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.689 12.006 -0.679 1.00 0.00 H new ATOM 677 N ILE X 44 70.897 8.938 0.574 1.00 0.00 N ATOM 678 CA ILE X 44 71.270 8.733 1.951 1.00 0.00 C ATOM 679 C ILE X 44 72.621 8.041 2.050 1.00 0.00 C ATOM 680 O ILE X 44 73.437 8.393 2.881 1.00 0.00 O ATOM 681 CB ILE X 44 70.173 7.972 2.754 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.855 6.624 2.107 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.912 8.825 2.837 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.821 5.811 2.827 1.00 0.00 C ATOM 0 H ILE X 44 70.249 8.247 0.195 1.00 0.00 H new ATOM 0 HA ILE X 44 71.362 9.717 2.411 1.00 0.00 H new ATOM 0 HB ILE X 44 70.549 7.783 3.759 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.515 6.798 1.086 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.774 6.042 2.042 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.147 8.290 3.399 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.141 9.765 3.340 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.545 9.031 1.831 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.661 4.873 2.296 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.164 5.600 3.840 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.885 6.368 2.869 1.00 0.00 H new ATOM 696 N THR X 45 72.870 7.097 1.166 1.00 0.00 N ATOM 697 CA THR X 45 74.121 6.368 1.186 1.00 0.00 C ATOM 698 C THR X 45 75.218 7.187 0.547 1.00 0.00 C ATOM 699 O THR X 45 76.389 7.153 0.982 1.00 0.00 O ATOM 700 CB THR X 45 73.992 5.042 0.421 1.00 0.00 C ATOM 701 OG1 THR X 45 73.597 5.294 -0.941 1.00 0.00 O ATOM 702 CG2 THR X 45 72.956 4.163 1.067 1.00 0.00 C ATOM 0 H THR X 45 72.225 6.817 0.427 1.00 0.00 H new ATOM 0 HA THR X 45 74.368 6.165 2.228 1.00 0.00 H new ATOM 0 HB THR X 45 74.960 4.542 0.441 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.623 5.216 -1.019 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.876 3.227 0.513 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.248 3.952 2.096 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.992 4.672 1.060 1.00 0.00 H new ATOM 710 N GLU X 46 74.814 7.920 -0.491 1.00 0.00 N ATOM 711 CA GLU X 46 75.670 8.739 -1.318 1.00 0.00 C ATOM 712 C GLU X 46 76.655 7.872 -2.074 1.00 0.00 C ATOM 713 O GLU X 46 77.711 8.332 -2.520 1.00 0.00 O ATOM 714 CB GLU X 46 76.349 9.813 -0.508 1.00 0.00 C ATOM 715 CG GLU X 46 75.402 10.771 0.152 1.00 0.00 C ATOM 716 CD GLU X 46 76.145 11.859 0.871 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.929 11.543 1.808 1.00 0.00 O ATOM 718 OE2 GLU X 46 76.006 13.043 0.496 1.00 0.00 O ATOM 0 H GLU X 46 73.837 7.954 -0.782 1.00 0.00 H new ATOM 0 HA GLU X 46 75.055 9.255 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.965 9.341 0.258 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.022 10.373 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.744 11.210 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.768 10.233 0.857 1.00 0.00 H new ATOM 725 N HIS X 47 76.276 6.616 -2.253 1.00 0.00 N ATOM 726 CA HIS X 47 77.086 5.684 -2.975 1.00 0.00 C ATOM 727 C HIS X 47 76.946 6.023 -4.459 1.00 0.00 C ATOM 728 O HIS X 47 75.841 6.183 -4.930 1.00 0.00 O ATOM 729 CB HIS X 47 76.617 4.236 -2.708 1.00 0.00 C ATOM 730 CG HIS X 47 77.590 3.197 -3.184 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.476 2.484 -4.358 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.741 2.797 -2.628 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.562 1.705 -4.468 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.357 1.858 -3.439 1.00 0.00 N ATOM 0 H HIS X 47 75.401 6.229 -1.899 1.00 0.00 H new ATOM 0 HA HIS X 47 78.126 5.753 -2.658 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.453 4.107 -1.638 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.657 4.076 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.131 3.154 -1.686 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.755 1.039 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.245 1.385 -3.270 1.00 0.00 H new ATOM 742 N PRO X 48 78.045 6.082 -5.229 1.00 0.00 N ATOM 743 CA PRO X 48 78.019 6.519 -6.646 1.00 0.00 C ATOM 744 C PRO X 48 77.393 5.506 -7.546 1.00 0.00 C ATOM 745 O PRO X 48 77.244 5.715 -8.751 1.00 0.00 O ATOM 746 CB PRO X 48 79.481 6.574 -7.021 1.00 0.00 C ATOM 747 CG PRO X 48 80.237 6.509 -5.769 1.00 0.00 C ATOM 748 CD PRO X 48 79.400 5.717 -4.829 1.00 0.00 C ATOM 0 HA PRO X 48 77.458 7.448 -6.749 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.744 5.744 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.708 7.492 -7.563 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.207 6.036 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.428 7.507 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.579 4.646 -4.930 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.600 5.977 -3.790 1.00 0.00 H new ATOM 756 N ASP X 49 77.044 4.424 -6.981 1.00 0.00 N ATOM 757 CA ASP X 49 76.559 3.350 -7.716 1.00 0.00 C ATOM 758 C ASP X 49 75.409 2.796 -6.933 1.00 0.00 C ATOM 759 O ASP X 49 75.157 1.612 -6.919 1.00 0.00 O ATOM 760 CB ASP X 49 77.676 2.334 -7.909 1.00 0.00 C ATOM 761 CG ASP X 49 77.389 1.228 -8.885 1.00 0.00 C ATOM 762 OD1 ASP X 49 77.376 1.507 -10.113 1.00 0.00 O ATOM 763 OD2 ASP X 49 77.276 0.068 -8.471 1.00 0.00 O ATOM 0 H ASP X 49 77.091 4.263 -5.975 1.00 0.00 H new ATOM 0 HA ASP X 49 76.220 3.634 -8.712 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.570 2.863 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.909 1.889 -6.942 1.00 0.00 H new ATOM 768 N GLY X 50 74.733 3.721 -6.246 1.00 0.00 N ATOM 769 CA GLY X 50 73.590 3.430 -5.398 1.00 0.00 C ATOM 770 C GLY X 50 72.646 2.532 -6.034 1.00 0.00 C ATOM 771 O GLY X 50 72.453 1.399 -5.600 1.00 0.00 O ATOM 0 H GLY X 50 74.976 4.711 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY X 50 73.937 2.987 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.085 4.361 -5.141 1.00 0.00 H new ATOM 775 N THR X 51 72.163 2.954 -7.105 1.00 0.00 N ATOM 776 CA THR X 51 71.140 2.249 -7.737 1.00 0.00 C ATOM 777 C THR X 51 71.649 0.933 -8.327 1.00 0.00 C ATOM 778 O THR X 51 70.942 -0.085 -8.270 1.00 0.00 O ATOM 779 CB THR X 51 70.470 3.107 -8.784 1.00 0.00 C ATOM 780 OG1 THR X 51 70.609 4.502 -8.393 1.00 0.00 O ATOM 781 CG2 THR X 51 69.009 2.761 -8.805 1.00 0.00 C ATOM 0 H THR X 51 72.461 3.805 -7.582 1.00 0.00 H new ATOM 0 HA THR X 51 70.392 1.993 -6.986 1.00 0.00 H new ATOM 0 HB THR X 51 70.918 2.942 -9.764 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.180 5.074 -9.064 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.502 3.368 -9.555 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.888 1.706 -9.051 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.575 2.957 -7.825 1.00 0.00 H new ATOM 789 N ALA X 52 72.911 0.901 -8.777 1.00 0.00 N ATOM 790 CA ALA X 52 73.402 -0.303 -9.373 1.00 0.00 C ATOM 791 C ALA X 52 73.689 -1.343 -8.329 1.00 0.00 C ATOM 792 O ALA X 52 73.643 -2.520 -8.628 1.00 0.00 O ATOM 793 CB ALA X 52 74.564 -0.048 -10.275 1.00 0.00 C ATOM 0 H ALA X 52 73.573 1.676 -8.734 1.00 0.00 H new ATOM 0 HA ALA X 52 72.615 -0.705 -10.011 1.00 0.00 H new ATOM 0 HB1 ALA X 52 74.904 -0.990 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.262 0.628 -11.075 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.375 0.404 -9.704 1.00 0.00 H new ATOM 799 N LEU X 53 73.940 -0.911 -7.091 1.00 0.00 N ATOM 800 CA LEU X 53 74.095 -1.853 -5.990 1.00 0.00 C ATOM 801 C LEU X 53 72.849 -2.654 -5.776 1.00 0.00 C ATOM 802 O LEU X 53 72.932 -3.839 -5.545 1.00 0.00 O ATOM 803 CB LEU X 53 74.495 -1.217 -4.666 1.00 0.00 C ATOM 804 CG LEU X 53 75.901 -0.667 -4.545 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.192 -0.368 -3.095 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.927 -1.637 -5.106 1.00 0.00 C ATOM 0 H LEU X 53 74.038 0.071 -6.832 1.00 0.00 H new ATOM 0 HA LEU X 53 74.917 -2.496 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.798 -0.404 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.357 -1.961 -3.881 1.00 0.00 H new ATOM 0 HG LEU X 53 75.970 0.250 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.203 0.028 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.478 0.368 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.106 -1.284 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.925 -1.211 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.876 -2.578 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.717 -1.819 -6.160 1.00 0.00 H new ATOM 818 N ILE X 54 71.689 -2.016 -5.877 1.00 0.00 N ATOM 819 CA ILE X 54 70.425 -2.755 -5.680 1.00 0.00 C ATOM 820 C ILE X 54 70.275 -3.756 -6.806 1.00 0.00 C ATOM 821 O ILE X 54 69.998 -4.942 -6.592 1.00 0.00 O ATOM 822 CB ILE X 54 69.184 -1.831 -5.671 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.245 -0.836 -4.524 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.902 -2.664 -5.556 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.651 0.494 -4.882 1.00 0.00 C ATOM 0 H ILE X 54 71.585 -1.023 -6.086 1.00 0.00 H new ATOM 0 HA ILE X 54 70.476 -3.243 -4.706 1.00 0.00 H new ATOM 0 HB ILE X 54 69.177 -1.277 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.716 -1.246 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.283 -0.697 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.037 -2.001 -5.551 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.833 -3.344 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.924 -3.239 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.721 1.166 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.196 0.921 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.604 0.363 -5.156 1.00 0.00 H new ATOM 837 N TYR X 55 70.525 -3.264 -7.999 1.00 0.00 N ATOM 838 CA TYR X 55 70.450 -4.049 -9.198 1.00 0.00 C ATOM 839 C TYR X 55 71.368 -5.267 -9.155 1.00 0.00 C ATOM 840 O TYR X 55 70.931 -6.398 -9.445 1.00 0.00 O ATOM 841 CB TYR X 55 70.739 -3.186 -10.412 1.00 0.00 C ATOM 842 CG TYR X 55 69.557 -2.363 -10.869 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.461 -2.972 -11.458 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.534 -0.989 -10.719 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.379 -2.237 -11.882 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.457 -0.241 -11.138 1.00 0.00 C ATOM 847 CZ TYR X 55 67.380 -0.871 -11.720 1.00 0.00 C ATOM 848 OH TYR X 55 66.303 -0.134 -12.149 1.00 0.00 O ATOM 0 H TYR X 55 70.790 -2.292 -8.159 1.00 0.00 H new ATOM 0 HA TYR X 55 69.432 -4.432 -9.275 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.569 -2.517 -10.182 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.064 -3.826 -11.232 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.456 -4.044 -11.587 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.378 -0.492 -10.264 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.533 -2.729 -12.339 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.457 0.832 -11.011 1.00 0.00 H new ATOM 0 HH TYR X 55 66.460 0.815 -11.960 1.00 0.00 H new ATOM 858 N GLU X 56 72.618 -5.065 -8.790 1.00 0.00 N ATOM 859 CA GLU X 56 73.524 -6.170 -8.680 1.00 0.00 C ATOM 860 C GLU X 56 73.216 -7.041 -7.489 1.00 0.00 C ATOM 861 O GLU X 56 73.347 -8.229 -7.583 1.00 0.00 O ATOM 862 CB GLU X 56 74.999 -5.792 -8.734 1.00 0.00 C ATOM 863 CG GLU X 56 75.462 -4.775 -7.728 1.00 0.00 C ATOM 864 CD GLU X 56 76.953 -4.756 -7.617 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.621 -4.111 -8.450 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.501 -5.413 -6.726 1.00 0.00 O ATOM 0 H GLU X 56 73.018 -4.153 -8.569 1.00 0.00 H new ATOM 0 HA GLU X 56 73.349 -6.757 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.590 -6.698 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.219 -5.411 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.105 -3.787 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU X 56 75.026 -5.000 -6.755 1.00 0.00 H new ATOM 873 N ALA X 57 72.782 -6.451 -6.372 1.00 0.00 N ATOM 874 CA ALA X 57 72.436 -7.227 -5.176 1.00 0.00 C ATOM 875 C ALA X 57 71.360 -8.244 -5.501 1.00 0.00 C ATOM 876 O ALA X 57 71.413 -9.375 -5.022 1.00 0.00 O ATOM 877 CB ALA X 57 71.981 -6.333 -4.033 1.00 0.00 C ATOM 0 H ALA X 57 72.662 -5.443 -6.270 1.00 0.00 H new ATOM 0 HA ALA X 57 73.338 -7.747 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.734 -6.947 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.782 -5.641 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA X 57 71.100 -5.769 -4.341 1.00 0.00 H new ATOM 1025 N GLY X 71 71.120 -9.562 -2.165 1.00 0.00 N ATOM 1026 CA GLY X 71 69.900 -9.452 -1.447 1.00 0.00 C ATOM 1027 C GLY X 71 69.855 -8.174 -0.672 1.00 0.00 C ATOM 1028 O GLY X 71 70.859 -7.457 -0.603 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.060 -9.492 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY X 71 69.794 -10.298 -0.768 1.00 0.00 H new ATOM 1032 N PRO X 72 68.726 -7.870 -0.054 1.00 0.00 N ATOM 1033 CA PRO X 72 68.548 -6.643 0.704 1.00 0.00 C ATOM 1034 C PRO X 72 69.561 -6.518 1.822 1.00 0.00 C ATOM 1035 O PRO X 72 70.183 -5.497 1.987 1.00 0.00 O ATOM 1036 CB PRO X 72 67.135 -6.741 1.255 1.00 0.00 C ATOM 1037 CG PRO X 72 66.730 -8.164 1.084 1.00 0.00 C ATOM 1038 CD PRO X 72 67.519 -8.695 -0.066 1.00 0.00 C ATOM 0 HA PRO X 72 68.696 -5.759 0.084 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.104 -6.449 2.305 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.459 -6.075 0.719 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.932 -8.736 1.990 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.660 -8.242 0.889 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.753 -9.752 0.060 1.00 0.00 H new ATOM 0 HD3 PRO X 72 66.975 -8.599 -1.006 1.00 0.00 H new ATOM 1046 N GLU X 73 69.774 -7.588 2.537 1.00 0.00 N ATOM 1047 CA GLU X 73 70.732 -7.609 3.626 1.00 0.00 C ATOM 1048 C GLU X 73 72.193 -7.573 3.134 1.00 0.00 C ATOM 1049 O GLU X 73 73.125 -7.620 3.944 1.00 0.00 O ATOM 1050 CB GLU X 73 70.484 -8.789 4.545 1.00 0.00 C ATOM 1051 CG GLU X 73 69.076 -8.845 5.095 1.00 0.00 C ATOM 1052 CD GLU X 73 68.876 -10.008 6.032 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.153 -9.876 7.235 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.435 -11.081 5.579 1.00 0.00 O ATOM 0 H GLU X 73 69.292 -8.474 2.387 1.00 0.00 H new ATOM 0 HA GLU X 73 70.580 -6.694 4.199 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.689 -9.711 4.001 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.188 -8.745 5.376 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.856 -7.916 5.620 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.368 -8.920 4.270 1.00 0.00 H new ATOM 1061 N GLY X 74 72.390 -7.508 1.841 1.00 0.00 N ATOM 1062 CA GLY X 74 73.730 -7.395 1.334 1.00 0.00 C ATOM 1063 C GLY X 74 74.045 -6.046 0.753 1.00 0.00 C ATOM 1064 O GLY X 74 75.213 -5.652 0.710 1.00 0.00 O ATOM 0 H GLY X 74 71.655 -7.531 1.134 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.433 -7.607 2.140 1.00 0.00 H new ATOM 0 HA3 GLY X 74 73.885 -8.155 0.568 1.00 0.00 H new ATOM 1068 N ILE X 75 73.021 -5.313 0.345 1.00 0.00 N ATOM 1069 CA ILE X 75 73.230 -3.968 -0.211 1.00 0.00 C ATOM 1070 C ILE X 75 73.774 -3.081 0.898 1.00 0.00 C ATOM 1071 O ILE X 75 74.718 -2.328 0.718 1.00 0.00 O ATOM 1072 CB ILE X 75 71.915 -3.323 -0.756 1.00 0.00 C ATOM 1073 CG1 ILE X 75 70.793 -4.376 -0.923 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.197 -2.613 -2.071 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.512 -3.874 -1.577 1.00 0.00 C ATOM 0 H ILE X 75 72.047 -5.613 0.383 1.00 0.00 H new ATOM 0 HA ILE X 75 73.921 -4.058 -1.049 1.00 0.00 H new ATOM 0 HB ILE X 75 71.563 -2.592 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.182 -5.204 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.545 -4.776 0.060 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.277 -2.165 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.942 -1.833 -1.911 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.575 -3.331 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.794 -4.691 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE X 75 69.089 -3.068 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.735 -3.503 -2.577 1.00 0.00 H new ATOM 1087 N VAL X 76 73.188 -3.262 2.058 1.00 0.00 N ATOM 1088 CA VAL X 76 73.534 -2.563 3.295 1.00 0.00 C ATOM 1089 C VAL X 76 74.971 -2.770 3.684 1.00 0.00 C ATOM 1090 O VAL X 76 75.691 -1.825 4.003 1.00 0.00 O ATOM 1091 CB VAL X 76 72.592 -3.049 4.423 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.279 -4.500 4.337 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.972 -2.613 5.822 1.00 0.00 C ATOM 0 H VAL X 76 72.424 -3.926 2.182 1.00 0.00 H new ATOM 0 HA VAL X 76 73.406 -1.493 3.132 1.00 0.00 H new ATOM 0 HB VAL X 76 71.663 -2.514 4.226 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.615 -4.778 5.155 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.791 -4.711 3.386 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.202 -5.076 4.407 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.248 -3.007 6.535 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.964 -2.994 6.065 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.978 -1.524 5.875 1.00 0.00 H new ATOM 1103 N LYS X 77 75.362 -3.989 3.633 1.00 0.00 N ATOM 1104 CA LYS X 77 76.713 -4.404 3.951 1.00 0.00 C ATOM 1105 C LYS X 77 77.719 -3.691 3.049 1.00 0.00 C ATOM 1106 O LYS X 77 78.729 -3.156 3.519 1.00 0.00 O ATOM 1107 CB LYS X 77 76.828 -5.912 3.777 1.00 0.00 C ATOM 1108 CG LYS X 77 78.216 -6.479 4.013 1.00 0.00 C ATOM 1109 CD LYS X 77 78.270 -7.948 3.643 1.00 0.00 C ATOM 1110 CE LYS X 77 77.435 -8.818 4.569 1.00 0.00 C ATOM 1111 NZ LYS X 77 77.919 -8.797 5.966 1.00 0.00 N ATOM 0 H LYS X 77 74.750 -4.760 3.364 1.00 0.00 H new ATOM 0 HA LYS X 77 76.935 -4.139 4.985 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.132 -6.396 4.462 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.512 -6.172 2.766 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.945 -5.924 3.423 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.491 -6.353 5.060 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.919 -8.074 2.619 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.306 -8.287 3.669 1.00 0.00 H new ATOM 0 HE2 LYS X 77 76.399 -8.479 4.543 1.00 0.00 H new ATOM 0 HE3 LYS X 77 77.444 -9.844 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 77.451 -9.552 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 78.948 -8.948 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 77.699 -7.876 6.396 1.00 0.00 H new ATOM 1125 N GLU X 78 77.411 -3.634 1.774 1.00 0.00 N ATOM 1126 CA GLU X 78 78.298 -3.020 0.833 1.00 0.00 C ATOM 1127 C GLU X 78 78.307 -1.488 1.013 1.00 0.00 C ATOM 1128 O GLU X 78 79.321 -0.814 0.760 1.00 0.00 O ATOM 1129 CB GLU X 78 77.972 -3.472 -0.589 1.00 0.00 C ATOM 1130 CG GLU X 78 79.124 -3.273 -1.533 1.00 0.00 C ATOM 1131 CD GLU X 78 79.091 -4.237 -2.668 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.015 -5.455 -2.413 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.220 -3.822 -3.827 1.00 0.00 O ATOM 0 H GLU X 78 76.551 -4.007 1.372 1.00 0.00 H new ATOM 0 HA GLU X 78 79.318 -3.351 1.027 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.694 -4.526 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.107 -2.918 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU X 78 79.102 -2.255 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU X 78 80.062 -3.386 -0.989 1.00 0.00 H new ATOM 1140 N ILE X 79 77.184 -0.951 1.466 1.00 0.00 N ATOM 1141 CA ILE X 79 77.074 0.469 1.782 1.00 0.00 C ATOM 1142 C ILE X 79 77.902 0.821 3.009 1.00 0.00 C ATOM 1143 O ILE X 79 78.647 1.806 2.995 1.00 0.00 O ATOM 1144 CB ILE X 79 75.595 0.915 2.041 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.732 0.767 0.782 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.522 2.341 2.591 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.192 1.596 -0.389 1.00 0.00 C ATOM 0 H ILE X 79 76.327 -1.481 1.625 1.00 0.00 H new ATOM 0 HA ILE X 79 77.450 0.999 0.907 1.00 0.00 H new ATOM 0 HB ILE X 79 75.190 0.247 2.801 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.719 -0.282 0.486 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.706 1.042 1.025 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.480 2.614 2.758 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.067 2.396 3.534 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.967 3.031 1.874 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.526 1.431 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.177 2.651 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.206 1.307 -0.664 1.00 0.00 H new ATOM 1159 N LYS X 80 77.796 0.010 4.054 1.00 0.00 N ATOM 1160 CA LYS X 80 78.456 0.319 5.310 1.00 0.00 C ATOM 1161 C LYS X 80 79.963 0.346 5.145 1.00 0.00 C ATOM 1162 O LYS X 80 80.638 1.192 5.730 1.00 0.00 O ATOM 1163 CB LYS X 80 78.037 -0.633 6.445 1.00 0.00 C ATOM 1164 CG LYS X 80 78.692 -1.995 6.454 1.00 0.00 C ATOM 1165 CD LYS X 80 78.260 -2.791 7.666 1.00 0.00 C ATOM 1166 CE LYS X 80 79.045 -4.078 7.788 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.495 -3.833 8.019 1.00 0.00 N ATOM 0 H LYS X 80 77.263 -0.860 4.055 1.00 0.00 H new ATOM 0 HA LYS X 80 78.128 1.317 5.600 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.249 -0.145 7.396 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.957 -0.773 6.393 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.429 -2.536 5.545 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.776 -1.882 6.455 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.399 -2.191 8.566 1.00 0.00 H new ATOM 0 HD3 LYS X 80 77.196 -3.017 7.595 1.00 0.00 H new ATOM 0 HE2 LYS X 80 78.643 -4.670 8.610 1.00 0.00 H new ATOM 0 HE3 LYS X 80 78.918 -4.666 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 80.937 -4.696 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 80.950 -3.573 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.612 -3.059 8.703 1.00 0.00 H new ATOM 1181 N GLU X 81 80.479 -0.544 4.303 1.00 0.00 N ATOM 1182 CA GLU X 81 81.898 -0.603 4.068 1.00 0.00 C ATOM 1183 C GLU X 81 82.376 0.612 3.283 1.00 0.00 C ATOM 1184 O GLU X 81 83.427 1.172 3.581 1.00 0.00 O ATOM 1185 CB GLU X 81 82.318 -1.929 3.410 1.00 0.00 C ATOM 1186 CG GLU X 81 82.041 -3.153 4.288 1.00 0.00 C ATOM 1187 CD GLU X 81 82.576 -4.451 3.710 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.813 -4.616 3.648 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.778 -5.358 3.375 1.00 0.00 O ATOM 0 H GLU X 81 79.930 -1.226 3.780 1.00 0.00 H new ATOM 0 HA GLU X 81 82.394 -0.574 5.038 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.788 -2.041 2.464 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.382 -1.890 3.177 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.485 -2.993 5.270 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.965 -3.247 4.436 1.00 0.00 H new ATOM 1196 N TRP X 82 81.561 1.056 2.337 1.00 0.00 N ATOM 1197 CA TRP X 82 81.884 2.219 1.512 1.00 0.00 C ATOM 1198 C TRP X 82 81.861 3.467 2.343 1.00 0.00 C ATOM 1199 O TRP X 82 82.769 4.296 2.274 1.00 0.00 O ATOM 1200 CB TRP X 82 80.840 2.410 0.444 1.00 0.00 C ATOM 1201 CG TRP X 82 81.223 3.434 -0.584 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.013 3.228 -1.664 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.831 4.819 -0.633 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.127 4.378 -2.391 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.418 5.368 -1.785 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.042 5.638 0.177 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.245 6.693 -2.154 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.874 6.959 -0.184 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.470 7.473 -1.344 1.00 0.00 C ATOM 0 H TRP X 82 80.662 0.626 2.118 1.00 0.00 H new ATOM 0 HA TRP X 82 82.869 2.046 1.079 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.660 1.457 -0.053 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.902 2.708 0.912 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.485 2.289 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.661 4.479 -3.254 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.573 5.246 1.067 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.705 7.092 -3.046 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.274 7.607 0.437 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.313 8.510 -1.603 1.00 0.00 H new ATOM 1220 N ARG X 83 80.800 3.597 3.121 1.00 0.00 N ATOM 1221 CA ARG X 83 80.549 4.771 3.913 1.00 0.00 C ATOM 1222 C ARG X 83 81.703 4.945 4.885 1.00 0.00 C ATOM 1223 O ARG X 83 82.264 6.033 5.004 1.00 0.00 O ATOM 1224 CB ARG X 83 79.279 4.567 4.718 1.00 0.00 C ATOM 1225 CG ARG X 83 78.650 5.827 5.251 1.00 0.00 C ATOM 1226 CD ARG X 83 77.773 6.577 4.242 1.00 0.00 C ATOM 1227 NE ARG X 83 77.210 7.794 4.865 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.918 8.962 4.251 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.909 9.056 2.931 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.551 10.013 4.978 1.00 0.00 N ATOM 0 H ARG X 83 80.084 2.876 3.216 1.00 0.00 H new ATOM 0 HA ARG X 83 80.447 5.643 3.267 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.550 4.052 4.092 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.501 3.908 5.557 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.045 5.575 6.122 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.440 6.495 5.594 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.363 6.847 3.366 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.967 5.929 3.897 1.00 0.00 H new ATOM 0 HE ARG X 83 77.022 7.747 5.866 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.125 8.239 2.360 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.686 9.946 2.485 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.491 9.935 5.993 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.329 10.897 4.520 1.00 0.00 H new ATOM 1244 N ALA X 84 82.085 3.845 5.518 1.00 0.00 N ATOM 1245 CA ALA X 84 83.169 3.834 6.473 1.00 0.00 C ATOM 1246 C ALA X 84 84.510 4.117 5.799 1.00 0.00 C ATOM 1247 O ALA X 84 85.312 4.875 6.321 1.00 0.00 O ATOM 1248 CB ALA X 84 83.204 2.511 7.212 1.00 0.00 C ATOM 0 H ALA X 84 81.646 2.935 5.379 1.00 0.00 H new ATOM 0 HA ALA X 84 82.992 4.632 7.194 1.00 0.00 H new ATOM 0 HB1 ALA X 84 84.025 2.516 7.928 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.262 2.365 7.741 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.350 1.700 6.499 1.00 0.00 H new ATOM 1254 N ALA X 85 84.731 3.535 4.623 1.00 0.00 N ATOM 1255 CA ALA X 85 85.979 3.738 3.882 1.00 0.00 C ATOM 1256 C ALA X 85 86.118 5.179 3.409 1.00 0.00 C ATOM 1257 O ALA X 85 87.215 5.753 3.438 1.00 0.00 O ATOM 1258 CB ALA X 85 86.075 2.784 2.702 1.00 0.00 C ATOM 0 H ALA X 85 84.063 2.918 4.160 1.00 0.00 H new ATOM 0 HA ALA X 85 86.800 3.526 4.566 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.011 2.956 2.170 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.047 1.756 3.062 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.237 2.955 2.027 1.00 0.00 H new ATOM 1264 N ASN X 86 85.007 5.773 2.986 1.00 0.00 N ATOM 1265 CA ASN X 86 85.017 7.161 2.518 1.00 0.00 C ATOM 1266 C ASN X 86 85.192 8.079 3.721 1.00 0.00 C ATOM 1267 O ASN X 86 85.784 9.153 3.628 1.00 0.00 O ATOM 1268 CB ASN X 86 83.711 7.518 1.776 1.00 0.00 C ATOM 1269 CG ASN X 86 83.885 8.661 0.767 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.166 8.412 -0.412 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.744 9.891 1.201 1.00 0.00 N ATOM 0 H ASN X 86 84.093 5.322 2.956 1.00 0.00 H new ATOM 0 HA ASN X 86 85.841 7.288 1.816 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.343 6.634 1.255 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.951 7.798 2.505 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.866 10.675 0.560 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.512 10.063 2.179 1.00 0.00 H new ATOM 1278 N GLY X 87 84.690 7.628 4.854 1.00 0.00 N ATOM 1279 CA GLY X 87 84.822 8.366 6.089 1.00 0.00 C ATOM 1280 C GLY X 87 83.565 9.119 6.428 1.00 0.00 C ATOM 1281 O GLY X 87 83.619 10.215 6.992 1.00 0.00 O ATOM 0 H GLY X 87 84.184 6.747 4.942 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.063 7.678 6.899 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.654 9.066 6.007 1.00 0.00 H new ATOM 1285 N LYS X 88 82.431 8.537 6.096 1.00 0.00 N ATOM 1286 CA LYS X 88 81.176 9.134 6.288 1.00 0.00 C ATOM 1287 C LYS X 88 80.411 8.362 7.368 1.00 0.00 C ATOM 1288 O LYS X 88 80.616 7.146 7.514 1.00 0.00 O ATOM 1289 CB LYS X 88 80.434 9.038 4.971 1.00 0.00 C ATOM 1290 CG LYS X 88 80.832 10.040 3.892 1.00 0.00 C ATOM 1291 CD LYS X 88 80.129 9.711 2.576 1.00 0.00 C ATOM 1292 CE LYS X 88 80.336 10.779 1.506 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.666 12.066 1.837 1.00 0.00 N ATOM 0 H LYS X 88 82.383 7.609 5.675 1.00 0.00 H new ATOM 0 HA LYS X 88 81.275 10.173 6.603 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.575 8.033 4.572 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.369 9.156 5.170 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.570 11.049 4.209 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.912 10.021 3.749 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.497 8.755 2.203 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.061 9.592 2.761 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.404 10.954 1.376 1.00 0.00 H new ATOM 0 HE3 LYS X 88 79.955 10.411 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.753 12.720 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.660 11.893 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.116 12.486 2.675 1.00 0.00 H new ATOM 1307 N PRO X 89 79.558 9.044 8.152 1.00 0.00 N ATOM 1308 CA PRO X 89 78.709 8.387 9.152 1.00 0.00 C ATOM 1309 C PRO X 89 77.648 7.521 8.464 1.00 0.00 C ATOM 1310 O PRO X 89 76.934 7.991 7.561 1.00 0.00 O ATOM 1311 CB PRO X 89 78.051 9.559 9.900 1.00 0.00 C ATOM 1312 CG PRO X 89 78.118 10.704 8.951 1.00 0.00 C ATOM 1313 CD PRO X 89 79.369 10.508 8.148 1.00 0.00 C ATOM 0 HA PRO X 89 79.266 7.724 9.814 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.020 9.328 10.168 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.579 9.783 10.827 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.240 10.726 8.305 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.144 11.653 9.487 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.260 10.895 7.135 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.218 11.023 8.597 1.00 0.00 H new ATOM 1321 N GLY X 90 77.579 6.271 8.840 1.00 0.00 N ATOM 1322 CA GLY X 90 76.661 5.367 8.218 1.00 0.00 C ATOM 1323 C GLY X 90 75.388 5.207 8.982 1.00 0.00 C ATOM 1324 O GLY X 90 74.635 6.166 9.153 1.00 0.00 O ATOM 0 H GLY X 90 78.152 5.859 9.577 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.433 5.724 7.214 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.137 4.393 8.109 1.00 0.00 H new ATOM 1328 N PHE X 91 75.172 4.015 9.481 1.00 0.00 N ATOM 1329 CA PHE X 91 73.934 3.685 10.144 1.00 0.00 C ATOM 1330 C PHE X 91 74.023 4.012 11.600 1.00 0.00 C ATOM 1331 O PHE X 91 75.126 4.105 12.173 1.00 0.00 O ATOM 1332 CB PHE X 91 73.632 2.191 10.021 1.00 0.00 C ATOM 1333 CG PHE X 91 73.727 1.663 8.638 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.042 2.257 7.601 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.525 0.578 8.373 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.155 1.769 6.327 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.640 0.091 7.103 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.955 0.687 6.075 1.00 0.00 C ATOM 0 H PHE X 91 75.845 3.250 9.440 1.00 0.00 H new ATOM 0 HA PHE X 91 73.144 4.266 9.668 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.324 1.638 10.657 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.628 2.002 10.402 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.412 3.113 7.794 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.068 0.105 9.178 1.00 0.00 H new ATOM 0 HE1 PHE X 91 72.612 2.238 5.520 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.271 -0.764 6.908 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.046 0.304 5.069 1.00 0.00 H new ATOM 1348 N LYS X 92 72.898 4.174 12.201 1.00 0.00 N ATOM 1349 CA LYS X 92 72.815 4.376 13.565 1.00 0.00 C ATOM 1350 C LYS X 92 72.483 3.056 14.215 1.00 0.00 C ATOM 1351 O LYS X 92 72.116 2.083 13.545 1.00 0.00 O ATOM 1352 CB LYS X 92 71.721 5.382 13.894 1.00 0.00 C ATOM 1353 CG LYS X 92 70.321 4.958 13.502 1.00 0.00 C ATOM 1354 CD LYS X 92 69.234 5.818 14.152 1.00 0.00 C ATOM 1355 CE LYS X 92 69.177 5.617 15.663 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.034 6.319 16.275 1.00 0.00 N ATOM 0 H LYS X 92 71.996 4.166 11.725 1.00 0.00 H new ATOM 0 HA LYS X 92 73.764 4.765 13.933 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.738 5.577 14.966 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.952 6.323 13.395 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.220 5.012 12.418 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.170 3.916 13.784 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.423 6.869 13.932 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.266 5.570 13.716 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.108 4.552 15.884 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.104 5.976 16.111 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.035 6.155 17.302 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.112 7.339 16.088 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.147 5.959 15.868 1.00 0.00 H new ATOM 1370 N GLN X 93 72.636 3.020 15.470 1.00 0.00 N ATOM 1371 CA GLN X 93 72.253 1.926 16.267 1.00 0.00 C ATOM 1372 C GLN X 93 71.002 2.381 16.960 1.00 0.00 C ATOM 1373 O GLN X 93 70.932 3.536 17.403 1.00 0.00 O ATOM 1374 CB GLN X 93 73.329 1.654 17.294 1.00 0.00 C ATOM 1375 CG GLN X 93 74.581 0.868 16.824 1.00 0.00 C ATOM 1376 CD GLN X 93 75.307 1.453 15.614 1.00 0.00 C ATOM 1377 OE1 GLN X 93 76.183 2.305 15.745 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.002 0.954 14.443 1.00 0.00 N ATOM 0 H GLN X 93 73.051 3.786 16.001 1.00 0.00 H new ATOM 0 HA GLN X 93 72.101 1.016 15.687 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.663 2.611 17.694 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.876 1.104 18.119 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.284 0.809 17.654 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.280 -0.153 16.587 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.270 0.248 14.364 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.496 1.271 13.609 1.00 0.00 H new ATOM 1387 N GLY X 94 70.037 1.558 17.023 1.00 0.00 N ATOM 1388 CA GLY X 94 68.803 1.954 17.615 1.00 0.00 C ATOM 1389 C GLY X 94 67.943 0.782 17.908 1.00 0.00 C ATOM 1390 O GLY X 94 68.050 0.222 19.010 1.00 0.00 O ATOM 1391 OXT GLY X 94 67.157 0.377 17.041 1.00 0.00 O ATOM 0 H GLY X 94 70.065 0.600 16.675 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.999 2.503 18.536 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.278 2.634 16.945 1.00 0.00 H new