USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 686 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 36 HIS : no HD1:sc= 0.437 K(o=0.73,f=-2.8) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -177:sc= 0.288 (180deg=-0.321) USER MOD Set 2.1: A 13 TYR OH : rot 166:sc= 0.0209 USER MOD Set 2.2: A 16 LYS NZ :NH3+ -117:sc= 1.49 (180deg=0.314) USER MOD Single : A 1 GLU N :NH3+ 145:sc= 0.0375 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 65:sc= 0.604 USER MOD Single : A 8 ASN : amide:sc=-0.00508 K(o=-0.0051,f=-0.71) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 12 SER OG : rot 71:sc= 1.07 USER MOD Single : A 15 ASN : amide:sc=-0.000515 K(o=-0.00052,f=-0.92) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.349 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 153:sc= -1.7! USER MOD Single : A 30 SER OG : rot 71:sc= 1.04 USER MOD Single : A 37 THR OG1 : rot 86:sc=0.000845 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.6!) USER MOD Single : A 42 GLN : amide:sc= 0.628 K(o=0.63,f=-0.12) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.244 F(o=-1,f=-0.24) USER MOD Single : A 45 THR OG1 : rot -36:sc= 0.871 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 2.07 (180deg=1.59) USER MOD Single : A 53 MET CE :methyl -158:sc= -4.62! (180deg=-5.44!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= 0.459 K(o=0.46,f=-4.3!) USER MOD Single : A 69 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.91) USER MOD Single : A 74 SER OG : rot 86:sc= 1.25 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 22.188 -8.739 9.550 1.00 0.00 N ATOM 2 CA GLU A 1 21.603 -10.008 9.912 1.00 0.00 C ATOM 3 C GLU A 1 20.177 -10.082 9.395 1.00 0.00 C ATOM 4 O GLU A 1 19.448 -9.082 9.437 1.00 0.00 O ATOM 5 CB GLU A 1 21.631 -10.192 11.431 1.00 0.00 C ATOM 6 CG GLU A 1 21.117 -11.544 11.907 1.00 0.00 C ATOM 7 CD GLU A 1 21.903 -12.683 11.329 1.00 0.00 C ATOM 8 OE1 GLU A 1 22.947 -13.038 11.896 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.507 -13.237 10.272 1.00 0.00 O ATOM 0 H1 GLU A 1 22.827 -8.423 10.307 1.00 0.00 H new ATOM 0 H2 GLU A 1 22.725 -8.844 8.665 1.00 0.00 H new ATOM 0 H3 GLU A 1 21.434 -8.035 9.416 1.00 0.00 H new ATOM 0 HA GLU A 1 22.185 -10.810 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 1 22.654 -10.061 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 1 21.033 -9.406 11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 1 21.165 -11.587 12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 1 20.068 -11.650 11.630 1.00 0.00 H new ATOM 16 N SER A 2 19.799 -11.265 8.939 1.00 0.00 N ATOM 17 CA SER A 2 18.496 -11.546 8.360 1.00 0.00 C ATOM 18 C SER A 2 18.212 -10.667 7.150 1.00 0.00 C ATOM 19 O SER A 2 17.640 -9.567 7.263 1.00 0.00 O ATOM 20 CB SER A 2 17.389 -11.429 9.389 1.00 0.00 C ATOM 21 OG SER A 2 17.673 -12.224 10.533 1.00 0.00 O ATOM 0 H SER A 2 20.410 -12.082 8.962 1.00 0.00 H new ATOM 0 HA SER A 2 18.521 -12.580 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.272 -10.387 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.443 -11.744 8.948 1.00 0.00 H new ATOM 0 HG SER A 2 16.946 -12.132 11.184 1.00 0.00 H new ATOM 27 N ASP A 3 18.640 -11.146 6.013 1.00 0.00 N ATOM 28 CA ASP A 3 18.488 -10.450 4.748 1.00 0.00 C ATOM 29 C ASP A 3 17.040 -10.256 4.442 1.00 0.00 C ATOM 30 O ASP A 3 16.313 -11.208 4.159 1.00 0.00 O ATOM 31 CB ASP A 3 19.151 -11.211 3.597 1.00 0.00 C ATOM 32 CG ASP A 3 20.642 -11.316 3.738 1.00 0.00 C ATOM 33 OD1 ASP A 3 21.119 -12.193 4.485 1.00 0.00 O ATOM 34 OD2 ASP A 3 21.376 -10.515 3.101 1.00 0.00 O ATOM 0 H ASP A 3 19.113 -12.046 5.930 1.00 0.00 H new ATOM 0 HA ASP A 3 18.982 -9.483 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 3 18.726 -12.213 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 3 18.916 -10.712 2.657 1.00 0.00 H new ATOM 39 N SER A 4 16.615 -9.056 4.538 1.00 0.00 N ATOM 40 CA SER A 4 15.268 -8.718 4.273 1.00 0.00 C ATOM 41 C SER A 4 15.235 -7.831 3.049 1.00 0.00 C ATOM 42 O SER A 4 14.921 -6.662 3.119 1.00 0.00 O ATOM 43 CB SER A 4 14.662 -8.048 5.500 1.00 0.00 C ATOM 44 OG SER A 4 14.876 -8.858 6.666 1.00 0.00 O ATOM 0 H SER A 4 17.201 -8.266 4.807 1.00 0.00 H new ATOM 0 HA SER A 4 14.668 -9.604 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.110 -7.065 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.594 -7.892 5.348 1.00 0.00 H new ATOM 0 HG SER A 4 15.836 -8.917 6.852 1.00 0.00 H new ATOM 50 N VAL A 5 15.586 -8.425 1.931 1.00 0.00 N ATOM 51 CA VAL A 5 15.762 -7.737 0.672 1.00 0.00 C ATOM 52 C VAL A 5 14.468 -7.081 0.202 1.00 0.00 C ATOM 53 O VAL A 5 14.446 -5.893 -0.116 1.00 0.00 O ATOM 54 CB VAL A 5 16.261 -8.723 -0.401 1.00 0.00 C ATOM 55 CG1 VAL A 5 16.498 -8.021 -1.708 1.00 0.00 C ATOM 56 CG2 VAL A 5 17.519 -9.441 0.067 1.00 0.00 C ATOM 0 H VAL A 5 15.762 -9.428 1.871 1.00 0.00 H new ATOM 0 HA VAL A 5 16.502 -6.952 0.825 1.00 0.00 H new ATOM 0 HB VAL A 5 15.484 -9.471 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 5 16.850 -8.739 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.567 -7.571 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.249 -7.243 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.853 -10.132 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 5 18.303 -8.710 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.303 -9.996 0.980 1.00 0.00 H new ATOM 66 N GLU A 6 13.401 -7.849 0.196 1.00 0.00 N ATOM 67 CA GLU A 6 12.104 -7.358 -0.257 1.00 0.00 C ATOM 68 C GLU A 6 11.590 -6.275 0.668 1.00 0.00 C ATOM 69 O GLU A 6 10.970 -5.300 0.236 1.00 0.00 O ATOM 70 CB GLU A 6 11.116 -8.504 -0.345 1.00 0.00 C ATOM 71 CG GLU A 6 11.502 -9.540 -1.366 1.00 0.00 C ATOM 72 CD GLU A 6 11.535 -8.957 -2.748 1.00 0.00 C ATOM 73 OE1 GLU A 6 10.449 -8.661 -3.303 1.00 0.00 O ATOM 74 OE2 GLU A 6 12.627 -8.774 -3.307 1.00 0.00 O ATOM 0 H GLU A 6 13.399 -8.823 0.500 1.00 0.00 H new ATOM 0 HA GLU A 6 12.222 -6.924 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.032 -8.979 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.131 -8.108 -0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.481 -9.950 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.792 -10.367 -1.335 1.00 0.00 H new ATOM 81 N PHE A 7 11.894 -6.441 1.926 1.00 0.00 N ATOM 82 CA PHE A 7 11.546 -5.500 2.941 1.00 0.00 C ATOM 83 C PHE A 7 12.343 -4.233 2.733 1.00 0.00 C ATOM 84 O PHE A 7 11.794 -3.186 2.755 1.00 0.00 O ATOM 85 CB PHE A 7 11.822 -6.137 4.286 1.00 0.00 C ATOM 86 CG PHE A 7 11.469 -5.339 5.491 1.00 0.00 C ATOM 87 CD1 PHE A 7 10.151 -5.093 5.806 1.00 0.00 C ATOM 88 CD2 PHE A 7 12.460 -4.876 6.330 1.00 0.00 C ATOM 89 CE1 PHE A 7 9.820 -4.387 6.948 1.00 0.00 C ATOM 90 CE2 PHE A 7 12.147 -4.166 7.470 1.00 0.00 C ATOM 91 CZ PHE A 7 10.823 -3.921 7.782 1.00 0.00 C ATOM 0 H PHE A 7 12.402 -7.254 2.276 1.00 0.00 H new ATOM 0 HA PHE A 7 10.490 -5.232 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.279 -7.081 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 7 12.884 -6.377 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.369 -5.455 5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.495 -5.072 6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.784 -4.200 7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.933 -3.803 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.571 -3.367 8.674 1.00 0.00 H new ATOM 101 N ASN A 8 13.632 -4.359 2.472 1.00 0.00 N ATOM 102 CA ASN A 8 14.511 -3.195 2.204 1.00 0.00 C ATOM 103 C ASN A 8 14.017 -2.400 1.002 1.00 0.00 C ATOM 104 O ASN A 8 14.028 -1.159 1.018 1.00 0.00 O ATOM 105 CB ASN A 8 15.962 -3.624 1.947 1.00 0.00 C ATOM 106 CG ASN A 8 16.690 -4.141 3.166 1.00 0.00 C ATOM 107 OD1 ASN A 8 16.419 -3.736 4.295 1.00 0.00 O ATOM 108 ND2 ASN A 8 17.641 -5.012 2.950 1.00 0.00 N ATOM 0 H ASN A 8 14.113 -5.258 2.436 1.00 0.00 H new ATOM 0 HA ASN A 8 14.478 -2.571 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.968 -4.399 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.513 -2.774 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.185 -5.377 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.839 -5.326 2.000 1.00 0.00 H new ATOM 115 N ASN A 9 13.588 -3.115 -0.041 1.00 0.00 N ATOM 116 CA ASN A 9 13.001 -2.482 -1.238 1.00 0.00 C ATOM 117 C ASN A 9 11.793 -1.686 -0.831 1.00 0.00 C ATOM 118 O ASN A 9 11.633 -0.521 -1.221 1.00 0.00 O ATOM 119 CB ASN A 9 12.582 -3.520 -2.292 1.00 0.00 C ATOM 120 CG ASN A 9 13.739 -4.280 -2.891 1.00 0.00 C ATOM 121 OD1 ASN A 9 14.858 -3.767 -2.992 1.00 0.00 O ATOM 122 ND2 ASN A 9 13.483 -5.487 -3.326 1.00 0.00 N ATOM 0 H ASN A 9 13.634 -4.133 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 9 13.761 -1.839 -1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.891 -4.229 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.039 -3.014 -3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.220 -6.038 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.546 -5.877 -3.225 1.00 0.00 H new ATOM 129 N ALA A 10 10.967 -2.315 -0.008 1.00 0.00 N ATOM 130 CA ALA A 10 9.794 -1.700 0.550 1.00 0.00 C ATOM 131 C ALA A 10 10.195 -0.468 1.349 1.00 0.00 C ATOM 132 O ALA A 10 9.707 0.620 1.085 1.00 0.00 O ATOM 133 CB ALA A 10 9.044 -2.704 1.435 1.00 0.00 C ATOM 0 H ALA A 10 11.104 -3.281 0.289 1.00 0.00 H new ATOM 0 HA ALA A 10 9.127 -1.392 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.157 -2.229 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.746 -3.565 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.695 -3.033 2.245 1.00 0.00 H new ATOM 139 N ILE A 11 11.155 -0.644 2.272 1.00 0.00 N ATOM 140 CA ILE A 11 11.618 0.425 3.156 1.00 0.00 C ATOM 141 C ILE A 11 12.064 1.624 2.373 1.00 0.00 C ATOM 142 O ILE A 11 11.715 2.721 2.705 1.00 0.00 O ATOM 143 CB ILE A 11 12.803 0.031 4.074 1.00 0.00 C ATOM 144 CG1 ILE A 11 12.530 -1.254 4.833 1.00 0.00 C ATOM 145 CG2 ILE A 11 13.105 1.159 5.058 1.00 0.00 C ATOM 146 CD1 ILE A 11 11.154 -1.377 5.430 1.00 0.00 C ATOM 0 H ILE A 11 11.629 -1.535 2.422 1.00 0.00 H new ATOM 0 HA ILE A 11 10.750 0.641 3.778 1.00 0.00 H new ATOM 0 HB ILE A 11 13.669 -0.138 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.690 -2.095 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.264 -1.344 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.939 0.870 5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.366 2.062 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.226 1.350 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.067 -2.332 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.990 -0.563 6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.408 -1.325 4.637 1.00 0.00 H new ATOM 158 N SER A 12 12.813 1.394 1.321 1.00 0.00 N ATOM 159 CA SER A 12 13.348 2.471 0.513 1.00 0.00 C ATOM 160 C SER A 12 12.232 3.376 -0.039 1.00 0.00 C ATOM 161 O SER A 12 12.331 4.614 0.037 1.00 0.00 O ATOM 162 CB SER A 12 14.216 1.905 -0.606 1.00 0.00 C ATOM 163 OG SER A 12 15.271 1.104 -0.074 1.00 0.00 O ATOM 0 H SER A 12 13.070 0.461 1.000 1.00 0.00 H new ATOM 0 HA SER A 12 13.973 3.098 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.603 1.306 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.635 2.721 -1.196 1.00 0.00 H new ATOM 0 HG SER A 12 14.900 0.270 0.284 1.00 0.00 H new ATOM 169 N TYR A 13 11.165 2.776 -0.543 1.00 0.00 N ATOM 170 CA TYR A 13 10.054 3.557 -1.026 1.00 0.00 C ATOM 171 C TYR A 13 9.183 4.065 0.100 1.00 0.00 C ATOM 172 O TYR A 13 8.655 5.165 0.024 1.00 0.00 O ATOM 173 CB TYR A 13 9.257 2.848 -2.116 1.00 0.00 C ATOM 174 CG TYR A 13 9.497 3.478 -3.464 1.00 0.00 C ATOM 175 CD1 TYR A 13 10.673 3.247 -4.161 1.00 0.00 C ATOM 176 CD2 TYR A 13 8.561 4.342 -4.022 1.00 0.00 C ATOM 177 CE1 TYR A 13 10.911 3.860 -5.373 1.00 0.00 C ATOM 178 CE2 TYR A 13 8.788 4.952 -5.238 1.00 0.00 C ATOM 179 CZ TYR A 13 9.968 4.709 -5.906 1.00 0.00 C ATOM 180 OH TYR A 13 10.212 5.329 -7.100 1.00 0.00 O ATOM 0 H TYR A 13 11.052 1.766 -0.625 1.00 0.00 H new ATOM 0 HA TYR A 13 10.484 4.436 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 13 9.537 1.795 -2.149 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.194 2.888 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.413 2.577 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.640 4.539 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.834 3.675 -5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.048 5.614 -5.662 1.00 0.00 H new ATOM 0 HH TYR A 13 9.378 5.707 -7.449 1.00 0.00 H new ATOM 190 N VAL A 14 9.069 3.294 1.154 1.00 0.00 N ATOM 191 CA VAL A 14 8.324 3.714 2.323 1.00 0.00 C ATOM 192 C VAL A 14 8.992 4.926 2.979 1.00 0.00 C ATOM 193 O VAL A 14 8.325 5.878 3.330 1.00 0.00 O ATOM 194 CB VAL A 14 8.149 2.568 3.355 1.00 0.00 C ATOM 195 CG1 VAL A 14 7.508 3.085 4.615 1.00 0.00 C ATOM 196 CG2 VAL A 14 7.289 1.465 2.779 1.00 0.00 C ATOM 0 H VAL A 14 9.485 2.366 1.229 1.00 0.00 H new ATOM 0 HA VAL A 14 7.328 3.996 1.983 1.00 0.00 H new ATOM 0 HB VAL A 14 9.137 2.173 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.393 2.267 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.137 3.861 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.529 3.502 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.176 0.669 3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.308 1.865 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.763 1.065 1.882 1.00 0.00 H new ATOM 206 N ASN A 15 10.313 4.887 3.109 1.00 0.00 N ATOM 207 CA ASN A 15 11.092 5.951 3.665 1.00 0.00 C ATOM 208 C ASN A 15 10.946 7.205 2.810 1.00 0.00 C ATOM 209 O ASN A 15 10.931 8.336 3.318 1.00 0.00 O ATOM 210 CB ASN A 15 12.532 5.515 3.649 1.00 0.00 C ATOM 211 CG ASN A 15 13.419 6.434 4.390 1.00 0.00 C ATOM 212 OD1 ASN A 15 13.018 7.087 5.348 1.00 0.00 O ATOM 213 ND2 ASN A 15 14.616 6.497 3.973 1.00 0.00 N ATOM 0 H ASN A 15 10.873 4.086 2.818 1.00 0.00 H new ATOM 0 HA ASN A 15 10.757 6.174 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.609 4.517 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.873 5.443 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.287 7.108 4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.907 5.936 3.172 1.00 0.00 H new ATOM 220 N LYS A 16 10.833 6.987 1.512 1.00 0.00 N ATOM 221 CA LYS A 16 10.630 8.034 0.559 1.00 0.00 C ATOM 222 C LYS A 16 9.273 8.690 0.835 1.00 0.00 C ATOM 223 O LYS A 16 9.175 9.911 0.932 1.00 0.00 O ATOM 224 CB LYS A 16 10.681 7.420 -0.829 1.00 0.00 C ATOM 225 CG LYS A 16 10.686 8.392 -1.959 1.00 0.00 C ATOM 226 CD LYS A 16 10.795 7.650 -3.267 1.00 0.00 C ATOM 227 CE LYS A 16 11.085 8.601 -4.396 1.00 0.00 C ATOM 228 NZ LYS A 16 11.162 7.927 -5.709 1.00 0.00 N ATOM 0 H LYS A 16 10.882 6.057 1.096 1.00 0.00 H new ATOM 0 HA LYS A 16 11.400 8.802 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.575 6.801 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.824 6.757 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.773 8.988 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.521 9.085 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.586 6.903 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.867 7.115 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.308 9.365 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.027 9.113 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.120 8.034 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.946 6.916 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.474 8.356 -6.360 1.00 0.00 H new ATOM 242 N ILE A 17 8.249 7.852 1.018 1.00 0.00 N ATOM 243 CA ILE A 17 6.919 8.293 1.380 1.00 0.00 C ATOM 244 C ILE A 17 6.973 9.071 2.697 1.00 0.00 C ATOM 245 O ILE A 17 6.444 10.183 2.791 1.00 0.00 O ATOM 246 CB ILE A 17 5.968 7.078 1.557 1.00 0.00 C ATOM 247 CG1 ILE A 17 5.779 6.314 0.242 1.00 0.00 C ATOM 248 CG2 ILE A 17 4.637 7.516 2.117 1.00 0.00 C ATOM 249 CD1 ILE A 17 4.946 5.053 0.383 1.00 0.00 C ATOM 0 H ILE A 17 8.331 6.840 0.916 1.00 0.00 H new ATOM 0 HA ILE A 17 6.542 8.931 0.581 1.00 0.00 H new ATOM 0 HB ILE A 17 6.434 6.397 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.305 6.973 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.758 6.049 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.987 6.648 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.788 7.988 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.172 8.229 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.856 4.566 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.429 4.374 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.954 5.312 0.753 1.00 0.00 H new ATOM 261 N LYS A 18 7.658 8.483 3.694 1.00 0.00 N ATOM 262 CA LYS A 18 7.798 9.081 5.024 1.00 0.00 C ATOM 263 C LYS A 18 8.329 10.485 4.913 1.00 0.00 C ATOM 264 O LYS A 18 7.814 11.360 5.494 1.00 0.00 O ATOM 265 CB LYS A 18 8.785 8.312 5.925 1.00 0.00 C ATOM 266 CG LYS A 18 8.433 6.915 6.263 1.00 0.00 C ATOM 267 CD LYS A 18 9.413 6.372 7.269 1.00 0.00 C ATOM 268 CE LYS A 18 9.225 4.904 7.452 1.00 0.00 C ATOM 269 NZ LYS A 18 10.042 4.370 8.552 1.00 0.00 N ATOM 0 H LYS A 18 8.127 7.583 3.596 1.00 0.00 H new ATOM 0 HA LYS A 18 6.802 9.052 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.759 8.308 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.899 8.868 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.422 6.873 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.443 6.300 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.431 6.574 6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.282 6.882 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.173 4.696 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.483 4.389 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.878 3.347 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.048 4.543 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.779 4.842 9.441 1.00 0.00 H new ATOM 283 N THR A 19 9.362 10.643 4.125 1.00 0.00 N ATOM 284 CA THR A 19 10.058 11.877 3.913 1.00 0.00 C ATOM 285 C THR A 19 9.209 12.916 3.143 1.00 0.00 C ATOM 286 O THR A 19 9.221 14.119 3.453 1.00 0.00 O ATOM 287 CB THR A 19 11.325 11.511 3.128 1.00 0.00 C ATOM 288 OG1 THR A 19 12.299 10.865 3.964 1.00 0.00 O ATOM 289 CG2 THR A 19 11.896 12.650 2.337 1.00 0.00 C ATOM 0 H THR A 19 9.757 9.871 3.588 1.00 0.00 H new ATOM 0 HA THR A 19 10.290 12.351 4.867 1.00 0.00 H new ATOM 0 HB THR A 19 11.016 10.784 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.126 9.901 3.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.789 12.315 1.810 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.157 12.998 1.615 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.157 13.466 3.011 1.00 0.00 H new ATOM 297 N ARG A 20 8.491 12.458 2.172 1.00 0.00 N ATOM 298 CA ARG A 20 7.696 13.322 1.336 1.00 0.00 C ATOM 299 C ARG A 20 6.469 13.833 2.055 1.00 0.00 C ATOM 300 O ARG A 20 5.983 14.935 1.796 1.00 0.00 O ATOM 301 CB ARG A 20 7.345 12.581 0.070 1.00 0.00 C ATOM 302 CG ARG A 20 8.518 12.461 -0.896 1.00 0.00 C ATOM 303 CD ARG A 20 8.908 13.815 -1.463 1.00 0.00 C ATOM 304 NE ARG A 20 9.824 13.696 -2.605 1.00 0.00 N ATOM 305 CZ ARG A 20 10.246 14.716 -3.374 1.00 0.00 C ATOM 306 NH1 ARG A 20 10.013 15.974 -3.015 1.00 0.00 N ATOM 307 NH2 ARG A 20 10.941 14.469 -4.481 1.00 0.00 N ATOM 0 H ARG A 20 8.433 11.469 1.927 1.00 0.00 H new ATOM 0 HA ARG A 20 8.277 14.208 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.990 11.583 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.522 13.094 -0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.372 12.020 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.254 11.786 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.010 14.349 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.379 14.412 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 20 10.168 12.764 -2.834 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.510 16.173 -2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.337 16.741 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.153 13.507 -4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.262 15.241 -5.065 1.00 0.00 H new ATOM 321 N PHE A 21 5.995 13.057 2.967 1.00 0.00 N ATOM 322 CA PHE A 21 4.839 13.394 3.743 1.00 0.00 C ATOM 323 C PHE A 21 5.257 13.408 5.206 1.00 0.00 C ATOM 324 O PHE A 21 4.485 13.117 6.100 1.00 0.00 O ATOM 325 CB PHE A 21 3.746 12.360 3.472 1.00 0.00 C ATOM 326 CG PHE A 21 3.370 12.248 2.000 1.00 0.00 C ATOM 327 CD1 PHE A 21 2.385 13.050 1.456 1.00 0.00 C ATOM 328 CD2 PHE A 21 4.001 11.332 1.173 1.00 0.00 C ATOM 329 CE1 PHE A 21 2.035 12.938 0.124 1.00 0.00 C ATOM 330 CE2 PHE A 21 3.661 11.216 -0.150 1.00 0.00 C ATOM 331 CZ PHE A 21 2.672 12.017 -0.679 1.00 0.00 C ATOM 0 H PHE A 21 6.403 12.153 3.203 1.00 0.00 H new ATOM 0 HA PHE A 21 4.441 14.374 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.081 11.386 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.858 12.622 4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.882 13.774 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.775 10.698 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.263 13.572 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.168 10.498 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.397 11.923 -1.719 1.00 0.00 H new ATOM 341 N LEU A 22 6.485 13.848 5.415 1.00 0.00 N ATOM 342 CA LEU A 22 7.158 13.840 6.712 1.00 0.00 C ATOM 343 C LEU A 22 6.483 14.773 7.690 1.00 0.00 C ATOM 344 O LEU A 22 6.398 14.496 8.892 1.00 0.00 O ATOM 345 CB LEU A 22 8.627 14.247 6.495 1.00 0.00 C ATOM 346 CG LEU A 22 9.699 13.354 7.068 1.00 0.00 C ATOM 347 CD1 LEU A 22 11.067 13.907 6.752 1.00 0.00 C ATOM 348 CD2 LEU A 22 9.528 13.220 8.523 1.00 0.00 C ATOM 0 H LEU A 22 7.063 14.233 4.668 1.00 0.00 H new ATOM 0 HA LEU A 22 7.105 12.840 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.797 14.327 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.763 15.244 6.914 1.00 0.00 H new ATOM 0 HG LEU A 22 9.608 12.367 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.830 13.252 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.195 13.967 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.166 14.903 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.309 12.573 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.597 14.203 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.552 12.785 8.736 1.00 0.00 H new ATOM 360 N ASP A 23 5.972 15.848 7.164 1.00 0.00 N ATOM 361 CA ASP A 23 5.327 16.865 7.962 1.00 0.00 C ATOM 362 C ASP A 23 3.826 16.566 8.053 1.00 0.00 C ATOM 363 O ASP A 23 3.066 17.262 8.731 1.00 0.00 O ATOM 364 CB ASP A 23 5.584 18.229 7.311 1.00 0.00 C ATOM 365 CG ASP A 23 5.152 19.403 8.146 1.00 0.00 C ATOM 366 OD1 ASP A 23 5.914 19.818 9.051 1.00 0.00 O ATOM 367 OD2 ASP A 23 4.079 19.975 7.885 1.00 0.00 O ATOM 0 H ASP A 23 5.988 16.050 6.164 1.00 0.00 H new ATOM 0 HA ASP A 23 5.730 16.875 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.649 18.322 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.062 18.266 6.355 1.00 0.00 H new ATOM 372 N HIS A 24 3.414 15.488 7.405 1.00 0.00 N ATOM 373 CA HIS A 24 2.018 15.093 7.339 1.00 0.00 C ATOM 374 C HIS A 24 1.856 13.610 7.752 1.00 0.00 C ATOM 375 O HIS A 24 1.598 12.747 6.898 1.00 0.00 O ATOM 376 CB HIS A 24 1.491 15.276 5.909 1.00 0.00 C ATOM 377 CG HIS A 24 1.522 16.679 5.370 1.00 0.00 C ATOM 378 ND1 HIS A 24 2.592 17.222 4.681 1.00 0.00 N ATOM 379 CD2 HIS A 24 0.581 17.642 5.411 1.00 0.00 C ATOM 380 CE1 HIS A 24 2.275 18.469 4.338 1.00 0.00 C ATOM 381 NE2 HIS A 24 1.058 18.780 4.757 1.00 0.00 N ATOM 0 H HIS A 24 4.044 14.859 6.907 1.00 0.00 H new ATOM 0 HA HIS A 24 1.449 15.721 8.025 1.00 0.00 H new ATOM 0 HB2 HIS A 24 2.074 14.639 5.244 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.463 14.917 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.389 17.549 5.876 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.924 19.137 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 24 0.570 19.667 4.629 1.00 0.00 H new ATOM 389 N PRO A 25 1.991 13.288 9.061 1.00 0.00 N ATOM 390 CA PRO A 25 1.959 11.895 9.554 1.00 0.00 C ATOM 391 C PRO A 25 0.649 11.171 9.248 1.00 0.00 C ATOM 392 O PRO A 25 0.637 9.946 9.065 1.00 0.00 O ATOM 393 CB PRO A 25 2.141 12.038 11.068 1.00 0.00 C ATOM 394 CG PRO A 25 2.762 13.377 11.249 1.00 0.00 C ATOM 395 CD PRO A 25 2.193 14.240 10.165 1.00 0.00 C ATOM 0 HA PRO A 25 2.727 11.293 9.067 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.186 11.971 11.590 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.778 11.249 11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.533 13.784 12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.848 13.318 11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.258 14.709 10.471 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.876 15.043 9.887 1.00 0.00 H new ATOM 403 N GLU A 26 -0.446 11.933 9.174 1.00 0.00 N ATOM 404 CA GLU A 26 -1.758 11.390 8.895 1.00 0.00 C ATOM 405 C GLU A 26 -1.765 10.622 7.564 1.00 0.00 C ATOM 406 O GLU A 26 -2.263 9.526 7.494 1.00 0.00 O ATOM 407 CB GLU A 26 -2.806 12.511 8.854 1.00 0.00 C ATOM 408 CG GLU A 26 -2.580 13.507 7.733 1.00 0.00 C ATOM 409 CD GLU A 26 -3.657 14.533 7.604 1.00 0.00 C ATOM 410 OE1 GLU A 26 -4.793 14.163 7.269 1.00 0.00 O ATOM 411 OE2 GLU A 26 -3.374 15.739 7.788 1.00 0.00 O ATOM 0 H GLU A 26 -0.437 12.944 9.308 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.009 10.696 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.796 12.069 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.799 13.040 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.629 14.013 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.495 12.965 6.791 1.00 0.00 H new ATOM 418 N ILE A 27 -1.120 11.198 6.557 1.00 0.00 N ATOM 419 CA ILE A 27 -1.081 10.682 5.197 1.00 0.00 C ATOM 420 C ILE A 27 -0.447 9.315 5.167 1.00 0.00 C ATOM 421 O ILE A 27 -0.994 8.368 4.592 1.00 0.00 O ATOM 422 CB ILE A 27 -0.293 11.683 4.321 1.00 0.00 C ATOM 423 CG1 ILE A 27 -1.077 13.005 4.271 1.00 0.00 C ATOM 424 CG2 ILE A 27 0.006 11.138 2.928 1.00 0.00 C ATOM 425 CD1 ILE A 27 -0.505 14.041 3.350 1.00 0.00 C ATOM 0 H ILE A 27 -0.594 12.064 6.669 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.093 10.576 4.807 1.00 0.00 H new ATOM 0 HB ILE A 27 0.685 11.855 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.101 12.792 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.125 13.421 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.561 11.883 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.601 10.229 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.930 10.912 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.124 14.937 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.508 14.289 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.483 13.651 2.332 1.00 0.00 H new ATOM 437 N TYR A 28 0.663 9.216 5.847 1.00 0.00 N ATOM 438 CA TYR A 28 1.415 7.994 5.965 1.00 0.00 C ATOM 439 C TYR A 28 0.520 6.900 6.574 1.00 0.00 C ATOM 440 O TYR A 28 0.386 5.796 6.038 1.00 0.00 O ATOM 441 CB TYR A 28 2.595 8.260 6.897 1.00 0.00 C ATOM 442 CG TYR A 28 3.580 7.143 6.984 1.00 0.00 C ATOM 443 CD1 TYR A 28 4.469 6.884 5.951 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.606 6.325 8.092 1.00 0.00 C ATOM 445 CE1 TYR A 28 5.346 5.834 6.029 1.00 0.00 C ATOM 446 CE2 TYR A 28 4.487 5.286 8.181 1.00 0.00 C ATOM 447 CZ TYR A 28 5.349 5.036 7.159 1.00 0.00 C ATOM 448 OH TYR A 28 6.214 3.982 7.260 1.00 0.00 O ATOM 0 H TYR A 28 1.080 10.001 6.347 1.00 0.00 H new ATOM 0 HA TYR A 28 1.765 7.664 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.112 9.158 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.212 8.469 7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.470 7.517 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.918 6.509 8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.028 5.631 5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.500 4.663 9.063 1.00 0.00 H new ATOM 0 HH TYR A 28 6.400 3.801 8.205 1.00 0.00 H new ATOM 458 N ARG A 29 -0.131 7.261 7.655 1.00 0.00 N ATOM 459 CA ARG A 29 -0.957 6.357 8.423 1.00 0.00 C ATOM 460 C ARG A 29 -2.236 5.957 7.699 1.00 0.00 C ATOM 461 O ARG A 29 -2.619 4.782 7.714 1.00 0.00 O ATOM 462 CB ARG A 29 -1.283 6.990 9.737 1.00 0.00 C ATOM 463 CG ARG A 29 -0.076 7.143 10.605 1.00 0.00 C ATOM 464 CD ARG A 29 -0.332 8.141 11.670 1.00 0.00 C ATOM 465 NE ARG A 29 0.783 8.242 12.598 1.00 0.00 N ATOM 466 CZ ARG A 29 0.747 8.857 13.769 1.00 0.00 C ATOM 467 NH1 ARG A 29 -0.374 9.429 14.193 1.00 0.00 N ATOM 468 NH2 ARG A 29 1.835 8.896 14.519 1.00 0.00 N ATOM 0 H ARG A 29 -0.101 8.208 8.033 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.389 5.439 8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.732 7.969 9.566 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.027 6.385 10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.183 6.183 11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.777 7.455 10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.517 9.115 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.235 7.866 12.216 1.00 0.00 H new ATOM 0 HE ARG A 29 1.663 7.804 12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.214 9.396 13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.395 9.902 15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.695 8.454 14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.815 9.368 15.423 1.00 0.00 H new ATOM 482 N SER A 30 -2.885 6.934 7.060 1.00 0.00 N ATOM 483 CA SER A 30 -4.118 6.703 6.324 1.00 0.00 C ATOM 484 C SER A 30 -3.906 5.690 5.198 1.00 0.00 C ATOM 485 O SER A 30 -4.830 4.999 4.779 1.00 0.00 O ATOM 486 CB SER A 30 -4.676 8.029 5.787 1.00 0.00 C ATOM 487 OG SER A 30 -4.917 8.949 6.852 1.00 0.00 O ATOM 0 H SER A 30 -2.567 7.903 7.042 1.00 0.00 H new ATOM 0 HA SER A 30 -4.853 6.278 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.972 8.464 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.603 7.845 5.244 1.00 0.00 H new ATOM 0 HG SER A 30 -4.062 9.265 7.211 1.00 0.00 H new ATOM 493 N PHE A 31 -2.709 5.656 4.665 1.00 0.00 N ATOM 494 CA PHE A 31 -2.358 4.651 3.713 1.00 0.00 C ATOM 495 C PHE A 31 -2.092 3.283 4.363 1.00 0.00 C ATOM 496 O PHE A 31 -2.581 2.259 3.881 1.00 0.00 O ATOM 497 CB PHE A 31 -1.220 5.094 2.808 1.00 0.00 C ATOM 498 CG PHE A 31 -0.536 3.937 2.152 1.00 0.00 C ATOM 499 CD1 PHE A 31 -1.156 3.252 1.129 1.00 0.00 C ATOM 500 CD2 PHE A 31 0.697 3.505 2.601 1.00 0.00 C ATOM 501 CE1 PHE A 31 -0.564 2.156 0.553 1.00 0.00 C ATOM 502 CE2 PHE A 31 1.309 2.408 2.024 1.00 0.00 C ATOM 503 CZ PHE A 31 0.676 1.729 0.995 1.00 0.00 C ATOM 0 H PHE A 31 -1.964 6.319 4.880 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.231 4.515 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.608 5.766 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.494 5.660 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.122 3.583 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.187 4.028 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.065 1.627 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.277 2.081 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.148 0.871 0.540 1.00 0.00 H new ATOM 513 N LEU A 32 -1.306 3.275 5.440 1.00 0.00 N ATOM 514 CA LEU A 32 -0.916 2.048 6.150 1.00 0.00 C ATOM 515 C LEU A 32 -2.112 1.195 6.502 1.00 0.00 C ATOM 516 O LEU A 32 -2.068 -0.047 6.410 1.00 0.00 O ATOM 517 CB LEU A 32 -0.170 2.407 7.424 1.00 0.00 C ATOM 518 CG LEU A 32 1.200 3.029 7.264 1.00 0.00 C ATOM 519 CD1 LEU A 32 1.752 3.343 8.622 1.00 0.00 C ATOM 520 CD2 LEU A 32 2.144 2.101 6.503 1.00 0.00 C ATOM 0 H LEU A 32 -0.917 4.124 5.850 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.274 1.474 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.790 3.096 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.064 1.501 8.021 1.00 0.00 H new ATOM 0 HG LEU A 32 1.108 3.946 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.740 3.792 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.088 4.041 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.830 2.425 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.120 2.576 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.250 1.163 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.736 1.900 5.512 1.00 0.00 H new ATOM 532 N GLU A 33 -3.179 1.862 6.851 1.00 0.00 N ATOM 533 CA GLU A 33 -4.390 1.225 7.259 1.00 0.00 C ATOM 534 C GLU A 33 -5.047 0.460 6.101 1.00 0.00 C ATOM 535 O GLU A 33 -5.701 -0.555 6.320 1.00 0.00 O ATOM 536 CB GLU A 33 -5.314 2.254 7.880 1.00 0.00 C ATOM 537 CG GLU A 33 -6.000 3.216 6.927 1.00 0.00 C ATOM 538 CD GLU A 33 -6.708 4.299 7.691 1.00 0.00 C ATOM 539 OE1 GLU A 33 -6.062 5.264 8.111 1.00 0.00 O ATOM 540 OE2 GLU A 33 -7.928 4.175 7.942 1.00 0.00 O ATOM 0 H GLU A 33 -3.226 2.881 6.858 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.163 0.473 8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.084 1.725 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.739 2.838 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.264 3.658 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.714 2.675 6.306 1.00 0.00 H new ATOM 547 N ILE A 34 -4.818 0.921 4.884 1.00 0.00 N ATOM 548 CA ILE A 34 -5.361 0.318 3.700 1.00 0.00 C ATOM 549 C ILE A 34 -4.701 -1.013 3.447 1.00 0.00 C ATOM 550 O ILE A 34 -5.371 -1.987 3.181 1.00 0.00 O ATOM 551 CB ILE A 34 -5.171 1.260 2.495 1.00 0.00 C ATOM 552 CG1 ILE A 34 -5.968 2.541 2.745 1.00 0.00 C ATOM 553 CG2 ILE A 34 -5.566 0.576 1.182 1.00 0.00 C ATOM 554 CD1 ILE A 34 -5.673 3.656 1.789 1.00 0.00 C ATOM 0 H ILE A 34 -4.238 1.739 4.698 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.429 0.150 3.842 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.117 1.517 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.031 2.308 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.767 2.887 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.420 1.268 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.946 -0.307 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.614 0.280 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.283 4.523 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.618 3.923 1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.903 3.335 0.773 1.00 0.00 H new ATOM 566 N LEU A 35 -3.387 -1.067 3.572 1.00 0.00 N ATOM 567 CA LEU A 35 -2.670 -2.308 3.366 1.00 0.00 C ATOM 568 C LEU A 35 -3.002 -3.291 4.498 1.00 0.00 C ATOM 569 O LEU A 35 -3.096 -4.508 4.287 1.00 0.00 O ATOM 570 CB LEU A 35 -1.176 -2.033 3.289 1.00 0.00 C ATOM 571 CG LEU A 35 -0.443 -2.593 2.066 1.00 0.00 C ATOM 572 CD1 LEU A 35 -0.461 -4.115 2.048 1.00 0.00 C ATOM 573 CD2 LEU A 35 -1.037 -2.041 0.778 1.00 0.00 C ATOM 0 H LEU A 35 -2.799 -0.269 3.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.978 -2.760 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.026 -0.954 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.707 -2.440 4.185 1.00 0.00 H new ATOM 0 HG LEU A 35 0.596 -2.272 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.069 -4.475 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.028 -4.495 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.492 -4.466 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.500 -2.453 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.089 -2.319 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.948 -0.955 0.773 1.00 0.00 H new ATOM 585 N HIS A 36 -3.219 -2.737 5.679 1.00 0.00 N ATOM 586 CA HIS A 36 -3.651 -3.497 6.844 1.00 0.00 C ATOM 587 C HIS A 36 -5.019 -4.133 6.547 1.00 0.00 C ATOM 588 O HIS A 36 -5.240 -5.321 6.782 1.00 0.00 O ATOM 589 CB HIS A 36 -3.737 -2.548 8.055 1.00 0.00 C ATOM 590 CG HIS A 36 -4.235 -3.171 9.323 1.00 0.00 C ATOM 591 ND1 HIS A 36 -5.411 -2.808 9.945 1.00 0.00 N ATOM 592 CD2 HIS A 36 -3.686 -4.132 10.092 1.00 0.00 C ATOM 593 CE1 HIS A 36 -5.538 -3.542 11.047 1.00 0.00 C ATOM 594 NE2 HIS A 36 -4.511 -4.369 11.185 1.00 0.00 N ATOM 0 H HIS A 36 -3.100 -1.740 5.859 1.00 0.00 H new ATOM 0 HA HIS A 36 -2.939 -4.291 7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.747 -2.130 8.239 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.391 -1.715 7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.753 -4.638 9.891 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.366 -3.473 11.737 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.358 -5.040 11.938 1.00 0.00 H new ATOM 602 N THR A 37 -5.901 -3.327 6.022 1.00 0.00 N ATOM 603 CA THR A 37 -7.216 -3.730 5.607 1.00 0.00 C ATOM 604 C THR A 37 -7.151 -4.773 4.477 1.00 0.00 C ATOM 605 O THR A 37 -7.815 -5.824 4.534 1.00 0.00 O ATOM 606 CB THR A 37 -7.993 -2.446 5.191 1.00 0.00 C ATOM 607 OG1 THR A 37 -8.602 -1.816 6.329 1.00 0.00 O ATOM 608 CG2 THR A 37 -8.976 -2.625 4.046 1.00 0.00 C ATOM 0 H THR A 37 -5.717 -2.336 5.866 1.00 0.00 H new ATOM 0 HA THR A 37 -7.743 -4.221 6.425 1.00 0.00 H new ATOM 0 HB THR A 37 -7.234 -1.778 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.954 -1.219 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.465 -1.674 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.443 -2.965 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.727 -3.365 4.323 1.00 0.00 H new ATOM 616 N TYR A 38 -6.289 -4.504 3.526 1.00 0.00 N ATOM 617 CA TYR A 38 -6.130 -5.287 2.338 1.00 0.00 C ATOM 618 C TYR A 38 -5.832 -6.744 2.650 1.00 0.00 C ATOM 619 O TYR A 38 -6.583 -7.624 2.259 1.00 0.00 O ATOM 620 CB TYR A 38 -4.990 -4.678 1.526 1.00 0.00 C ATOM 621 CG TYR A 38 -4.767 -5.289 0.190 1.00 0.00 C ATOM 622 CD1 TYR A 38 -5.609 -4.981 -0.829 1.00 0.00 C ATOM 623 CD2 TYR A 38 -3.708 -6.154 -0.052 1.00 0.00 C ATOM 624 CE1 TYR A 38 -5.426 -5.511 -2.103 1.00 0.00 C ATOM 625 CE2 TYR A 38 -3.505 -6.693 -1.306 1.00 0.00 C ATOM 626 CZ TYR A 38 -4.367 -6.366 -2.332 1.00 0.00 C ATOM 627 OH TYR A 38 -4.172 -6.904 -3.585 1.00 0.00 O ATOM 0 H TYR A 38 -5.659 -3.703 3.566 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.063 -5.272 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.188 -3.614 1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.069 -4.761 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.437 -4.312 -0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.034 -6.408 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.105 -5.256 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.678 -7.365 -1.483 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.382 -7.483 -3.573 1.00 0.00 H new ATOM 637 N GLN A 39 -4.818 -6.979 3.450 1.00 0.00 N ATOM 638 CA GLN A 39 -4.378 -8.339 3.730 1.00 0.00 C ATOM 639 C GLN A 39 -5.431 -9.144 4.492 1.00 0.00 C ATOM 640 O GLN A 39 -5.604 -10.347 4.259 1.00 0.00 O ATOM 641 CB GLN A 39 -3.064 -8.326 4.485 1.00 0.00 C ATOM 642 CG GLN A 39 -1.924 -7.621 3.748 1.00 0.00 C ATOM 643 CD GLN A 39 -1.493 -8.281 2.431 1.00 0.00 C ATOM 644 OE1 GLN A 39 -2.280 -8.914 1.716 1.00 0.00 O ATOM 645 NE2 GLN A 39 -0.241 -8.122 2.104 1.00 0.00 N ATOM 0 H GLN A 39 -4.279 -6.252 3.921 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.230 -8.835 2.771 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.216 -7.838 5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.767 -9.354 4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.227 -6.595 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.060 -7.571 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.383 -7.595 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.115 -8.525 1.237 1.00 0.00 H new ATOM 654 N LYS A 40 -6.170 -8.477 5.360 1.00 0.00 N ATOM 655 CA LYS A 40 -7.186 -9.140 6.147 1.00 0.00 C ATOM 656 C LYS A 40 -8.440 -9.462 5.353 1.00 0.00 C ATOM 657 O LYS A 40 -9.155 -10.407 5.678 1.00 0.00 O ATOM 658 CB LYS A 40 -7.548 -8.353 7.389 1.00 0.00 C ATOM 659 CG LYS A 40 -6.609 -8.578 8.571 1.00 0.00 C ATOM 660 CD LYS A 40 -5.208 -8.013 8.361 1.00 0.00 C ATOM 661 CE LYS A 40 -4.374 -8.101 9.636 1.00 0.00 C ATOM 662 NZ LYS A 40 -4.928 -7.267 10.735 1.00 0.00 N ATOM 0 H LYS A 40 -6.083 -7.476 5.536 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.739 -10.086 6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.555 -7.291 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.562 -8.617 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.044 -8.123 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.534 -9.648 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.710 -8.560 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.278 -6.973 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.323 -9.140 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.353 -7.784 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.299 -7.320 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.001 -6.279 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.872 -7.617 10.995 1.00 0.00 H new ATOM 676 N GLU A 41 -8.722 -8.689 4.324 1.00 0.00 N ATOM 677 CA GLU A 41 -9.927 -8.920 3.541 1.00 0.00 C ATOM 678 C GLU A 41 -9.620 -9.734 2.263 1.00 0.00 C ATOM 679 O GLU A 41 -10.517 -10.356 1.668 1.00 0.00 O ATOM 680 CB GLU A 41 -10.615 -7.592 3.195 1.00 0.00 C ATOM 681 CG GLU A 41 -12.038 -7.750 2.662 1.00 0.00 C ATOM 682 CD GLU A 41 -13.035 -8.216 3.715 1.00 0.00 C ATOM 683 OE1 GLU A 41 -12.937 -9.339 4.210 1.00 0.00 O ATOM 684 OE2 GLU A 41 -13.917 -7.445 4.084 1.00 0.00 O ATOM 0 H GLU A 41 -8.147 -7.907 4.011 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.612 -9.509 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.639 -6.964 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.016 -7.067 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.372 -6.796 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.031 -8.464 1.839 1.00 0.00 H new ATOM 691 N GLN A 42 -8.366 -9.721 1.821 1.00 0.00 N ATOM 692 CA GLN A 42 -7.991 -10.512 0.651 1.00 0.00 C ATOM 693 C GLN A 42 -7.905 -11.979 1.004 1.00 0.00 C ATOM 694 O GLN A 42 -8.233 -12.842 0.190 1.00 0.00 O ATOM 695 CB GLN A 42 -6.666 -10.082 0.024 1.00 0.00 C ATOM 696 CG GLN A 42 -6.611 -8.670 -0.542 1.00 0.00 C ATOM 697 CD GLN A 42 -7.716 -8.355 -1.519 1.00 0.00 C ATOM 698 OE1 GLN A 42 -7.598 -8.608 -2.710 1.00 0.00 O ATOM 699 NE2 GLN A 42 -8.762 -7.741 -1.034 1.00 0.00 N ATOM 0 H GLN A 42 -7.607 -9.185 2.243 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.777 -10.338 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.884 -10.179 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.425 -10.781 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.655 -7.958 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.651 -8.526 -1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.822 -7.548 -0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.518 -7.454 -1.655 1.00 0.00 H new ATOM 708 N LEU A 43 -7.447 -12.271 2.209 1.00 0.00 N ATOM 709 CA LEU A 43 -7.308 -13.653 2.632 1.00 0.00 C ATOM 710 C LEU A 43 -8.707 -14.200 2.932 1.00 0.00 C ATOM 711 O LEU A 43 -9.169 -15.144 2.288 1.00 0.00 O ATOM 712 CB LEU A 43 -6.377 -13.741 3.863 1.00 0.00 C ATOM 713 CG LEU A 43 -5.563 -15.025 4.062 1.00 0.00 C ATOM 714 CD1 LEU A 43 -6.446 -16.204 4.240 1.00 0.00 C ATOM 715 CD2 LEU A 43 -4.598 -15.241 2.907 1.00 0.00 C ATOM 0 H LEU A 43 -7.168 -11.579 2.904 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.852 -14.256 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.677 -12.907 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.987 -13.591 4.754 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.980 -14.907 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.837 -17.097 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.078 -16.056 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.073 -16.326 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.032 -16.158 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.158 -15.323 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.911 -14.397 2.844 1.00 0.00 H new ATOM 727 N HIS A 44 -9.378 -13.591 3.883 1.00 0.00 N ATOM 728 CA HIS A 44 -10.743 -13.937 4.189 1.00 0.00 C ATOM 729 C HIS A 44 -11.631 -12.800 3.825 1.00 0.00 C ATOM 730 O HIS A 44 -11.620 -11.780 4.490 1.00 0.00 O ATOM 731 CB HIS A 44 -10.956 -14.292 5.667 1.00 0.00 C ATOM 732 CG HIS A 44 -10.489 -15.651 6.058 1.00 0.00 C ATOM 733 ND1 HIS A 44 -9.270 -16.085 6.436 1.00 0.00 N flip ATOM 734 CD2 HIS A 44 -11.316 -16.745 6.115 1.00 0.00 C flip ATOM 735 CE1 HIS A 44 -9.340 -17.445 6.724 1.00 0.00 C flip ATOM 736 NE2 HIS A 44 -10.605 -17.786 6.512 1.00 0.00 N flip ATOM 0 H HIS A 44 -8.993 -12.845 4.463 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.986 -14.826 3.607 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.438 -13.555 6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.018 -14.209 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.369 -16.754 5.876 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.535 -18.087 7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.979 -18.727 6.639 1.00 0.00 H new ATOM 744 N THR A 45 -12.360 -12.956 2.766 1.00 0.00 N ATOM 745 CA THR A 45 -13.288 -11.963 2.327 1.00 0.00 C ATOM 746 C THR A 45 -14.571 -12.150 3.119 1.00 0.00 C ATOM 747 O THR A 45 -15.403 -13.013 2.815 1.00 0.00 O ATOM 748 CB THR A 45 -13.513 -12.108 0.822 1.00 0.00 C ATOM 749 OG1 THR A 45 -12.218 -12.119 0.189 1.00 0.00 O ATOM 750 CG2 THR A 45 -14.327 -10.952 0.275 1.00 0.00 C ATOM 0 H THR A 45 -12.327 -13.786 2.175 1.00 0.00 H new ATOM 0 HA THR A 45 -12.911 -10.955 2.499 1.00 0.00 H new ATOM 0 HB THR A 45 -14.063 -13.027 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.616 -11.509 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.470 -11.083 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.298 -10.924 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.799 -10.016 0.459 1.00 0.00 H new ATOM 758 N LYS A 46 -14.680 -11.386 4.168 1.00 0.00 N ATOM 759 CA LYS A 46 -15.712 -11.585 5.148 1.00 0.00 C ATOM 760 C LYS A 46 -16.753 -10.480 5.113 1.00 0.00 C ATOM 761 O LYS A 46 -17.930 -10.734 5.383 1.00 0.00 O ATOM 762 CB LYS A 46 -15.050 -11.651 6.527 1.00 0.00 C ATOM 763 CG LYS A 46 -14.587 -10.292 7.069 1.00 0.00 C ATOM 764 CD LYS A 46 -13.510 -10.422 8.108 1.00 0.00 C ATOM 765 CE LYS A 46 -12.186 -10.768 7.456 1.00 0.00 C ATOM 766 NZ LYS A 46 -11.706 -9.680 6.571 1.00 0.00 N ATOM 0 H LYS A 46 -14.055 -10.605 4.369 1.00 0.00 H new ATOM 0 HA LYS A 46 -16.237 -12.514 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.753 -12.091 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -14.191 -12.320 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.219 -9.682 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.440 -9.766 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.416 -9.488 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.781 -11.195 8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.441 -10.964 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.295 -11.685 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.753 -9.910 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.353 -9.579 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.675 -8.787 7.104 1.00 0.00 H new ATOM 780 N GLY A 47 -16.311 -9.271 4.780 1.00 0.00 N ATOM 781 CA GLY A 47 -17.184 -8.105 4.799 1.00 0.00 C ATOM 782 C GLY A 47 -18.413 -8.239 3.924 1.00 0.00 C ATOM 783 O GLY A 47 -19.539 -8.056 4.387 1.00 0.00 O ATOM 0 H GLY A 47 -15.352 -9.074 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.500 -7.918 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.615 -7.233 4.477 1.00 0.00 H new ATOM 787 N ARG A 48 -18.206 -8.583 2.688 1.00 0.00 N ATOM 788 CA ARG A 48 -19.278 -8.684 1.735 1.00 0.00 C ATOM 789 C ARG A 48 -18.899 -9.749 0.706 1.00 0.00 C ATOM 790 O ARG A 48 -17.725 -9.820 0.316 1.00 0.00 O ATOM 791 CB ARG A 48 -19.481 -7.304 1.104 1.00 0.00 C ATOM 792 CG ARG A 48 -20.633 -7.162 0.145 1.00 0.00 C ATOM 793 CD ARG A 48 -20.720 -5.731 -0.316 1.00 0.00 C ATOM 794 NE ARG A 48 -21.665 -5.530 -1.409 1.00 0.00 N ATOM 795 CZ ARG A 48 -21.668 -4.471 -2.234 1.00 0.00 C ATOM 796 NH1 ARG A 48 -20.782 -3.484 -2.073 1.00 0.00 N ATOM 797 NH2 ARG A 48 -22.556 -4.402 -3.209 1.00 0.00 N ATOM 0 H ARG A 48 -17.286 -8.803 2.308 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.219 -8.984 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.615 -6.579 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -18.565 -7.032 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.494 -7.824 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -21.564 -7.458 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.011 -5.103 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.732 -5.399 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.376 -6.247 -1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.097 -3.532 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.791 -2.683 -2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -23.236 -5.152 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.562 -3.599 -3.838 1.00 0.00 H new ATOM 811 N PRO A 49 -19.869 -10.595 0.273 1.00 0.00 N ATOM 812 CA PRO A 49 -19.613 -11.729 -0.636 1.00 0.00 C ATOM 813 C PRO A 49 -18.960 -11.318 -1.951 1.00 0.00 C ATOM 814 O PRO A 49 -19.609 -10.700 -2.826 1.00 0.00 O ATOM 815 CB PRO A 49 -21.000 -12.348 -0.879 1.00 0.00 C ATOM 816 CG PRO A 49 -21.980 -11.318 -0.428 1.00 0.00 C ATOM 817 CD PRO A 49 -21.292 -10.504 0.633 1.00 0.00 C ATOM 0 HA PRO A 49 -18.903 -12.427 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -21.142 -12.591 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -21.120 -13.275 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -22.289 -10.687 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -22.881 -11.787 -0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -21.640 -9.471 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -21.480 -10.904 1.629 1.00 0.00 H new ATOM 825 N PHE A 50 -17.656 -11.613 -2.043 1.00 0.00 N ATOM 826 CA PHE A 50 -16.801 -11.338 -3.209 1.00 0.00 C ATOM 827 C PHE A 50 -16.739 -9.824 -3.493 1.00 0.00 C ATOM 828 O PHE A 50 -16.428 -9.372 -4.592 1.00 0.00 O ATOM 829 CB PHE A 50 -17.285 -12.161 -4.428 1.00 0.00 C ATOM 830 CG PHE A 50 -16.368 -12.128 -5.633 1.00 0.00 C ATOM 831 CD1 PHE A 50 -15.050 -12.548 -5.533 1.00 0.00 C ATOM 832 CD2 PHE A 50 -16.826 -11.667 -6.856 1.00 0.00 C ATOM 833 CE1 PHE A 50 -14.212 -12.513 -6.628 1.00 0.00 C ATOM 834 CE2 PHE A 50 -15.990 -11.628 -7.956 1.00 0.00 C ATOM 835 CZ PHE A 50 -14.682 -12.052 -7.842 1.00 0.00 C ATOM 0 H PHE A 50 -17.149 -12.065 -1.282 1.00 0.00 H new ATOM 0 HA PHE A 50 -15.780 -11.654 -2.995 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -17.414 -13.198 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -18.266 -11.793 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -14.675 -12.907 -4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -17.849 -11.334 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.189 -12.846 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -16.360 -11.266 -8.904 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.027 -12.023 -8.700 1.00 0.00 H new ATOM 845 N ARG A 51 -16.987 -9.055 -2.470 1.00 0.00 N ATOM 846 CA ARG A 51 -16.964 -7.629 -2.580 1.00 0.00 C ATOM 847 C ARG A 51 -16.402 -7.080 -1.275 1.00 0.00 C ATOM 848 O ARG A 51 -16.873 -6.079 -0.718 1.00 0.00 O ATOM 849 CB ARG A 51 -18.383 -7.114 -2.864 1.00 0.00 C ATOM 850 CG ARG A 51 -18.481 -5.637 -3.205 1.00 0.00 C ATOM 851 CD ARG A 51 -17.736 -5.299 -4.463 1.00 0.00 C ATOM 852 NE ARG A 51 -18.302 -5.956 -5.641 1.00 0.00 N ATOM 853 CZ ARG A 51 -18.239 -5.483 -6.886 1.00 0.00 C ATOM 854 NH1 ARG A 51 -17.699 -4.288 -7.126 1.00 0.00 N ATOM 855 NH2 ARG A 51 -18.746 -6.193 -7.882 1.00 0.00 N ATOM 0 H ARG A 51 -17.211 -9.402 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.335 -7.297 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.802 -7.689 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -19.005 -7.310 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -19.529 -5.360 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -18.084 -5.047 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.750 -4.219 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.692 -5.592 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 51 -18.782 -6.845 -5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.331 -3.730 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.654 -3.931 -8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -19.182 -7.096 -7.695 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.701 -5.837 -8.837 1.00 0.00 H new ATOM 869 N GLY A 52 -15.375 -7.744 -0.809 1.00 0.00 N ATOM 870 CA GLY A 52 -14.700 -7.347 0.389 1.00 0.00 C ATOM 871 C GLY A 52 -13.979 -6.076 0.162 1.00 0.00 C ATOM 872 O GLY A 52 -14.427 -5.015 0.587 1.00 0.00 O ATOM 0 H GLY A 52 -14.987 -8.576 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.419 -7.228 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.999 -8.123 0.696 1.00 0.00 H new ATOM 876 N MET A 53 -12.901 -6.161 -0.525 1.00 0.00 N ATOM 877 CA MET A 53 -12.139 -5.054 -0.860 1.00 0.00 C ATOM 878 C MET A 53 -11.610 -5.322 -2.226 1.00 0.00 C ATOM 879 O MET A 53 -10.766 -6.202 -2.399 1.00 0.00 O ATOM 880 CB MET A 53 -10.997 -4.941 0.107 1.00 0.00 C ATOM 881 CG MET A 53 -10.359 -3.616 0.055 1.00 0.00 C ATOM 882 SD MET A 53 -8.809 -3.574 0.959 1.00 0.00 S ATOM 883 CE MET A 53 -8.429 -1.812 0.944 1.00 0.00 C ATOM 0 H MET A 53 -12.525 -7.043 -0.874 1.00 0.00 H new ATOM 0 HA MET A 53 -12.717 -4.131 -0.828 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.358 -5.130 1.118 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.256 -5.709 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.179 -3.342 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.039 -2.871 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.360 -1.669 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.713 -1.387 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.984 -1.313 1.739 1.00 0.00 H new ATOM 893 N SER A 54 -12.131 -4.642 -3.203 1.00 0.00 N ATOM 894 CA SER A 54 -11.677 -4.859 -4.533 1.00 0.00 C ATOM 895 C SER A 54 -10.297 -4.220 -4.677 1.00 0.00 C ATOM 896 O SER A 54 -10.034 -3.179 -4.092 1.00 0.00 O ATOM 897 CB SER A 54 -12.673 -4.226 -5.503 1.00 0.00 C ATOM 898 OG SER A 54 -13.988 -4.751 -5.306 1.00 0.00 O ATOM 0 H SER A 54 -12.864 -3.940 -3.101 1.00 0.00 H new ATOM 0 HA SER A 54 -11.604 -5.924 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.685 -3.145 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.354 -4.411 -6.529 1.00 0.00 H new ATOM 0 HG SER A 54 -14.607 -4.329 -5.938 1.00 0.00 H new ATOM 904 N GLU A 55 -9.466 -4.796 -5.507 1.00 0.00 N ATOM 905 CA GLU A 55 -8.113 -4.354 -5.733 1.00 0.00 C ATOM 906 C GLU A 55 -8.127 -2.960 -6.370 1.00 0.00 C ATOM 907 O GLU A 55 -7.225 -2.140 -6.167 1.00 0.00 O ATOM 908 CB GLU A 55 -7.493 -5.383 -6.640 1.00 0.00 C ATOM 909 CG GLU A 55 -6.062 -5.197 -6.948 1.00 0.00 C ATOM 910 CD GLU A 55 -5.553 -6.335 -7.783 1.00 0.00 C ATOM 911 OE1 GLU A 55 -5.183 -7.383 -7.208 1.00 0.00 O ATOM 912 OE2 GLU A 55 -5.566 -6.233 -9.030 1.00 0.00 O ATOM 0 H GLU A 55 -9.720 -5.613 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.539 -4.267 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.621 -6.365 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.048 -5.393 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.917 -4.256 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.490 -5.133 -6.022 1.00 0.00 H new ATOM 919 N GLU A 56 -9.173 -2.717 -7.106 1.00 0.00 N ATOM 920 CA GLU A 56 -9.457 -1.448 -7.713 1.00 0.00 C ATOM 921 C GLU A 56 -9.687 -0.381 -6.638 1.00 0.00 C ATOM 922 O GLU A 56 -9.100 0.695 -6.692 1.00 0.00 O ATOM 923 CB GLU A 56 -10.691 -1.596 -8.577 1.00 0.00 C ATOM 924 CG GLU A 56 -11.164 -0.334 -9.248 1.00 0.00 C ATOM 925 CD GLU A 56 -12.407 -0.590 -10.031 1.00 0.00 C ATOM 926 OE1 GLU A 56 -13.512 -0.584 -9.433 1.00 0.00 O ATOM 927 OE2 GLU A 56 -12.307 -0.845 -11.235 1.00 0.00 O ATOM 0 H GLU A 56 -9.879 -3.425 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.611 -1.133 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.489 -2.342 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.501 -1.985 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.352 0.434 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.385 0.048 -9.907 1.00 0.00 H new ATOM 934 N GLU A 57 -10.507 -0.702 -5.630 1.00 0.00 N ATOM 935 CA GLU A 57 -10.823 0.257 -4.584 1.00 0.00 C ATOM 936 C GLU A 57 -9.610 0.451 -3.702 1.00 0.00 C ATOM 937 O GLU A 57 -9.365 1.546 -3.196 1.00 0.00 O ATOM 938 CB GLU A 57 -12.055 -0.164 -3.785 1.00 0.00 C ATOM 939 CG GLU A 57 -11.787 -1.079 -2.636 1.00 0.00 C ATOM 940 CD GLU A 57 -13.040 -1.549 -1.980 1.00 0.00 C ATOM 941 OE1 GLU A 57 -13.746 -2.365 -2.584 1.00 0.00 O ATOM 942 OE2 GLU A 57 -13.340 -1.140 -0.842 1.00 0.00 O ATOM 0 H GLU A 57 -10.956 -1.612 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.075 1.213 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.547 0.732 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.757 -0.652 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.218 -1.940 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.167 -0.564 -1.902 1.00 0.00 H new ATOM 949 N VAL A 58 -8.824 -0.615 -3.586 1.00 0.00 N ATOM 950 CA VAL A 58 -7.594 -0.597 -2.884 1.00 0.00 C ATOM 951 C VAL A 58 -6.676 0.425 -3.519 1.00 0.00 C ATOM 952 O VAL A 58 -6.237 1.368 -2.870 1.00 0.00 O ATOM 953 CB VAL A 58 -6.953 -1.998 -2.937 1.00 0.00 C ATOM 954 CG1 VAL A 58 -5.544 -1.982 -2.444 1.00 0.00 C ATOM 955 CG2 VAL A 58 -7.770 -2.950 -2.123 1.00 0.00 C ATOM 0 H VAL A 58 -9.050 -1.522 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.763 -0.327 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.932 -2.322 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.128 -2.988 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.949 -1.310 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.524 -1.636 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.318 -3.941 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.807 -2.606 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.782 -2.998 -2.526 1.00 0.00 H new ATOM 965 N PHE A 59 -6.473 0.275 -4.817 1.00 0.00 N ATOM 966 CA PHE A 59 -5.624 1.163 -5.565 1.00 0.00 C ATOM 967 C PHE A 59 -6.179 2.583 -5.539 1.00 0.00 C ATOM 968 O PHE A 59 -5.423 3.535 -5.470 1.00 0.00 O ATOM 969 CB PHE A 59 -5.445 0.656 -7.001 1.00 0.00 C ATOM 970 CG PHE A 59 -4.488 1.474 -7.822 1.00 0.00 C ATOM 971 CD1 PHE A 59 -3.127 1.251 -7.736 1.00 0.00 C ATOM 972 CD2 PHE A 59 -4.949 2.471 -8.660 1.00 0.00 C ATOM 973 CE1 PHE A 59 -2.239 2.007 -8.472 1.00 0.00 C ATOM 974 CE2 PHE A 59 -4.071 3.231 -9.394 1.00 0.00 C ATOM 975 CZ PHE A 59 -2.712 3.001 -9.303 1.00 0.00 C ATOM 0 H PHE A 59 -6.895 -0.468 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.640 1.183 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.092 -0.375 -6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.416 0.646 -7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.754 0.475 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.010 2.655 -8.739 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.178 1.821 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.444 4.009 -10.043 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.022 3.598 -9.881 1.00 0.00 H new ATOM 985 N THR A 60 -7.502 2.708 -5.540 1.00 0.00 N ATOM 986 CA THR A 60 -8.161 3.944 -5.498 1.00 0.00 C ATOM 987 C THR A 60 -7.781 4.748 -4.249 1.00 0.00 C ATOM 988 O THR A 60 -7.379 5.900 -4.366 1.00 0.00 O ATOM 989 CB THR A 60 -9.671 3.699 -5.531 1.00 0.00 C ATOM 990 OG1 THR A 60 -10.069 3.169 -6.815 1.00 0.00 O ATOM 991 CG2 THR A 60 -10.411 4.946 -5.238 1.00 0.00 C ATOM 0 H THR A 60 -8.136 1.909 -5.572 1.00 0.00 H new ATOM 0 HA THR A 60 -7.856 4.532 -6.364 1.00 0.00 H new ATOM 0 HB THR A 60 -9.914 2.967 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.559 2.354 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.483 4.749 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.135 5.309 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.161 5.701 -5.983 1.00 0.00 H new ATOM 999 N GLU A 61 -7.853 4.125 -3.080 1.00 0.00 N ATOM 1000 CA GLU A 61 -7.592 4.818 -1.835 1.00 0.00 C ATOM 1001 C GLU A 61 -6.120 5.173 -1.716 1.00 0.00 C ATOM 1002 O GLU A 61 -5.760 6.210 -1.169 1.00 0.00 O ATOM 1003 CB GLU A 61 -8.046 3.961 -0.671 1.00 0.00 C ATOM 1004 CG GLU A 61 -9.527 3.711 -0.688 1.00 0.00 C ATOM 1005 CD GLU A 61 -10.020 2.879 0.455 1.00 0.00 C ATOM 1006 OE1 GLU A 61 -10.034 3.366 1.612 1.00 0.00 O ATOM 1007 OE2 GLU A 61 -10.449 1.746 0.223 1.00 0.00 O ATOM 0 H GLU A 61 -8.091 3.139 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.155 5.751 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.519 3.007 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.773 4.449 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.046 4.669 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.790 3.217 -1.623 1.00 0.00 H new ATOM 1014 N VAL A 62 -5.286 4.328 -2.262 1.00 0.00 N ATOM 1015 CA VAL A 62 -3.856 4.547 -2.253 1.00 0.00 C ATOM 1016 C VAL A 62 -3.472 5.670 -3.245 1.00 0.00 C ATOM 1017 O VAL A 62 -2.654 6.539 -2.935 1.00 0.00 O ATOM 1018 CB VAL A 62 -3.115 3.236 -2.575 1.00 0.00 C ATOM 1019 CG1 VAL A 62 -1.630 3.412 -2.462 1.00 0.00 C ATOM 1020 CG2 VAL A 62 -3.570 2.150 -1.627 1.00 0.00 C ATOM 0 H VAL A 62 -5.575 3.467 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.555 4.869 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.349 2.954 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.133 2.470 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.300 4.179 -3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.376 3.715 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.044 1.223 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.351 2.447 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.643 1.996 -1.739 1.00 0.00 H new ATOM 1030 N ALA A 63 -4.103 5.666 -4.411 1.00 0.00 N ATOM 1031 CA ALA A 63 -3.908 6.724 -5.419 1.00 0.00 C ATOM 1032 C ALA A 63 -4.466 8.041 -4.901 1.00 0.00 C ATOM 1033 O ALA A 63 -4.011 9.105 -5.252 1.00 0.00 O ATOM 1034 CB ALA A 63 -4.570 6.349 -6.739 1.00 0.00 C ATOM 0 H ALA A 63 -4.761 4.940 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.839 6.836 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.411 7.146 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.134 5.424 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.640 6.208 -6.583 1.00 0.00 H new ATOM 1040 N ASN A 64 -5.477 7.920 -4.084 1.00 0.00 N ATOM 1041 CA ASN A 64 -6.123 9.028 -3.389 1.00 0.00 C ATOM 1042 C ASN A 64 -5.220 9.572 -2.294 1.00 0.00 C ATOM 1043 O ASN A 64 -5.296 10.742 -1.932 1.00 0.00 O ATOM 1044 CB ASN A 64 -7.450 8.538 -2.842 1.00 0.00 C ATOM 1045 CG ASN A 64 -8.161 9.416 -1.831 1.00 0.00 C ATOM 1046 OD1 ASN A 64 -8.118 10.649 -1.879 1.00 0.00 O ATOM 1047 ND2 ASN A 64 -8.820 8.776 -0.902 1.00 0.00 N ATOM 0 H ASN A 64 -5.898 7.017 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.307 9.853 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.124 8.383 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.285 7.563 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.323 9.296 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.832 7.756 -0.896 1.00 0.00 H new ATOM 1054 N LEU A 65 -4.392 8.729 -1.760 1.00 0.00 N ATOM 1055 CA LEU A 65 -3.451 9.160 -0.786 1.00 0.00 C ATOM 1056 C LEU A 65 -2.322 9.919 -1.495 1.00 0.00 C ATOM 1057 O LEU A 65 -2.077 11.097 -1.241 1.00 0.00 O ATOM 1058 CB LEU A 65 -2.836 7.971 -0.050 1.00 0.00 C ATOM 1059 CG LEU A 65 -2.747 8.081 1.467 1.00 0.00 C ATOM 1060 CD1 LEU A 65 -2.623 9.486 1.911 1.00 0.00 C ATOM 1061 CD2 LEU A 65 -3.889 7.424 2.147 1.00 0.00 C ATOM 0 H LEU A 65 -4.352 7.735 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.967 9.795 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.417 7.082 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.831 7.812 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.839 7.551 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.562 9.520 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.721 9.924 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.494 10.051 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.780 7.530 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.820 7.893 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.908 6.366 1.886 1.00 0.00 H new ATOM 1073 N PHE A 66 -1.681 9.246 -2.420 1.00 0.00 N ATOM 1074 CA PHE A 66 -0.523 9.787 -3.107 1.00 0.00 C ATOM 1075 C PHE A 66 -0.929 10.327 -4.468 1.00 0.00 C ATOM 1076 O PHE A 66 -0.306 10.010 -5.485 1.00 0.00 O ATOM 1077 CB PHE A 66 0.536 8.692 -3.276 1.00 0.00 C ATOM 1078 CG PHE A 66 0.831 7.939 -2.007 1.00 0.00 C ATOM 1079 CD1 PHE A 66 1.354 8.590 -0.904 1.00 0.00 C ATOM 1080 CD2 PHE A 66 0.563 6.585 -1.913 1.00 0.00 C ATOM 1081 CE1 PHE A 66 1.607 7.906 0.266 1.00 0.00 C ATOM 1082 CE2 PHE A 66 0.813 5.897 -0.746 1.00 0.00 C ATOM 1083 CZ PHE A 66 1.336 6.558 0.344 1.00 0.00 C ATOM 0 H PHE A 66 -1.944 8.308 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.106 10.601 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.200 7.988 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.458 9.143 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.567 9.647 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.153 6.061 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.017 8.426 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.599 4.840 -0.685 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.533 6.019 1.259 1.00 0.00 H new ATOM 1093 N ARG A 67 -1.971 11.139 -4.474 1.00 0.00 N ATOM 1094 CA ARG A 67 -2.504 11.742 -5.699 1.00 0.00 C ATOM 1095 C ARG A 67 -1.396 12.494 -6.452 1.00 0.00 C ATOM 1096 O ARG A 67 -0.746 13.382 -5.892 1.00 0.00 O ATOM 1097 CB ARG A 67 -3.598 12.761 -5.375 1.00 0.00 C ATOM 1098 CG ARG A 67 -4.621 12.324 -4.373 1.00 0.00 C ATOM 1099 CD ARG A 67 -5.500 13.488 -3.960 1.00 0.00 C ATOM 1100 NE ARG A 67 -6.469 13.122 -2.927 1.00 0.00 N ATOM 1101 CZ ARG A 67 -7.469 13.908 -2.505 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -7.616 15.134 -3.004 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -8.305 13.470 -1.580 1.00 0.00 N ATOM 0 H ARG A 67 -2.479 11.405 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.907 10.931 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.123 13.671 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.112 13.021 -6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.236 11.530 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.124 11.909 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.872 14.300 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.031 13.865 -4.834 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.377 12.202 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.966 15.478 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.379 15.729 -2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.188 12.535 -1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.067 14.067 -1.257 1.00 0.00 H new ATOM 1117 N GLY A 68 -1.167 12.122 -7.685 1.00 0.00 N ATOM 1118 CA GLY A 68 -0.185 12.801 -8.497 1.00 0.00 C ATOM 1119 C GLY A 68 1.161 12.119 -8.457 1.00 0.00 C ATOM 1120 O GLY A 68 1.896 12.115 -9.456 1.00 0.00 O ATOM 0 H GLY A 68 -1.647 11.352 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.537 12.846 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.079 13.829 -8.152 1.00 0.00 H new ATOM 1124 N GLN A 69 1.477 11.526 -7.324 1.00 0.00 N ATOM 1125 CA GLN A 69 2.724 10.830 -7.106 1.00 0.00 C ATOM 1126 C GLN A 69 2.757 9.484 -7.810 1.00 0.00 C ATOM 1127 O GLN A 69 2.846 8.438 -7.167 1.00 0.00 O ATOM 1128 CB GLN A 69 2.947 10.632 -5.618 1.00 0.00 C ATOM 1129 CG GLN A 69 3.023 11.922 -4.851 1.00 0.00 C ATOM 1130 CD GLN A 69 4.186 12.766 -5.295 1.00 0.00 C ATOM 1131 OE1 GLN A 69 5.221 12.251 -5.724 1.00 0.00 O ATOM 1132 NE2 GLN A 69 4.041 14.044 -5.205 1.00 0.00 N ATOM 0 H GLN A 69 0.859 11.516 -6.513 1.00 0.00 H new ATOM 0 HA GLN A 69 3.521 11.443 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.137 10.024 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.871 10.073 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.096 12.480 -4.985 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.115 11.707 -3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.170 14.434 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.797 14.665 -5.494 1.00 0.00 H new ATOM 1141 N GLU A 70 2.718 9.519 -9.132 1.00 0.00 N ATOM 1142 CA GLU A 70 2.768 8.326 -9.969 1.00 0.00 C ATOM 1143 C GLU A 70 4.016 7.529 -9.685 1.00 0.00 C ATOM 1144 O GLU A 70 4.023 6.315 -9.795 1.00 0.00 O ATOM 1145 CB GLU A 70 2.730 8.701 -11.432 1.00 0.00 C ATOM 1146 CG GLU A 70 1.419 9.286 -11.893 1.00 0.00 C ATOM 1147 CD GLU A 70 1.472 9.683 -13.337 1.00 0.00 C ATOM 1148 OE1 GLU A 70 1.811 8.834 -14.185 1.00 0.00 O ATOM 1149 OE2 GLU A 70 1.173 10.860 -13.653 1.00 0.00 O ATOM 0 H GLU A 70 2.650 10.387 -9.663 1.00 0.00 H new ATOM 0 HA GLU A 70 1.896 7.716 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.524 9.420 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.947 7.814 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.622 8.558 -11.744 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.174 10.156 -11.284 1.00 0.00 H new ATOM 1156 N ASP A 71 5.047 8.230 -9.298 1.00 0.00 N ATOM 1157 CA ASP A 71 6.321 7.647 -8.916 1.00 0.00 C ATOM 1158 C ASP A 71 6.139 6.610 -7.796 1.00 0.00 C ATOM 1159 O ASP A 71 6.608 5.474 -7.902 1.00 0.00 O ATOM 1160 CB ASP A 71 7.259 8.768 -8.481 1.00 0.00 C ATOM 1161 CG ASP A 71 8.590 8.289 -7.978 1.00 0.00 C ATOM 1162 OD1 ASP A 71 9.481 7.964 -8.805 1.00 0.00 O ATOM 1163 OD2 ASP A 71 8.807 8.304 -6.760 1.00 0.00 O ATOM 0 H ASP A 71 5.032 9.248 -9.235 1.00 0.00 H new ATOM 0 HA ASP A 71 6.753 7.123 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.421 9.440 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.774 9.350 -7.698 1.00 0.00 H new ATOM 1168 N LEU A 72 5.405 6.991 -6.772 1.00 0.00 N ATOM 1169 CA LEU A 72 5.123 6.110 -5.646 1.00 0.00 C ATOM 1170 C LEU A 72 4.084 5.055 -6.044 1.00 0.00 C ATOM 1171 O LEU A 72 4.167 3.889 -5.655 1.00 0.00 O ATOM 1172 CB LEU A 72 4.589 6.931 -4.464 1.00 0.00 C ATOM 1173 CG LEU A 72 5.483 8.072 -3.952 1.00 0.00 C ATOM 1174 CD1 LEU A 72 4.774 8.831 -2.854 1.00 0.00 C ATOM 1175 CD2 LEU A 72 6.820 7.546 -3.445 1.00 0.00 C ATOM 0 H LEU A 72 4.985 7.917 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 72 6.046 5.609 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.628 7.356 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.400 6.249 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 72 5.682 8.745 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.415 9.637 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.846 9.250 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.550 8.154 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.428 8.379 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.649 6.847 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.341 7.036 -4.255 1.00 0.00 H new ATOM 1187 N LEU A 73 3.157 5.472 -6.886 1.00 0.00 N ATOM 1188 CA LEU A 73 2.002 4.644 -7.276 1.00 0.00 C ATOM 1189 C LEU A 73 2.437 3.505 -8.195 1.00 0.00 C ATOM 1190 O LEU A 73 1.879 2.417 -8.150 1.00 0.00 O ATOM 1191 CB LEU A 73 0.920 5.501 -7.981 1.00 0.00 C ATOM 1192 CG LEU A 73 0.369 6.731 -7.215 1.00 0.00 C ATOM 1193 CD1 LEU A 73 -0.598 7.523 -8.059 1.00 0.00 C ATOM 1194 CD2 LEU A 73 -0.308 6.351 -5.916 1.00 0.00 C ATOM 0 H LEU A 73 3.172 6.392 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 73 1.576 4.220 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.332 5.851 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.079 4.850 -8.221 1.00 0.00 H new ATOM 0 HG LEU A 73 1.238 7.347 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.963 8.377 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.092 7.876 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.438 6.889 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.675 7.250 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.144 5.684 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.407 5.846 -5.267 1.00 0.00 H new ATOM 1206 N SER A 74 3.448 3.754 -9.001 1.00 0.00 N ATOM 1207 CA SER A 74 3.964 2.771 -9.942 1.00 0.00 C ATOM 1208 C SER A 74 4.611 1.572 -9.232 1.00 0.00 C ATOM 1209 O SER A 74 4.466 0.426 -9.673 1.00 0.00 O ATOM 1210 CB SER A 74 4.952 3.434 -10.897 1.00 0.00 C ATOM 1211 OG SER A 74 4.311 4.443 -11.676 1.00 0.00 O ATOM 0 H SER A 74 3.940 4.647 -9.025 1.00 0.00 H new ATOM 0 HA SER A 74 3.121 2.382 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.772 3.874 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.387 2.682 -11.556 1.00 0.00 H new ATOM 0 HG SER A 74 4.315 5.289 -11.182 1.00 0.00 H new ATOM 1217 N GLU A 75 5.274 1.832 -8.115 1.00 0.00 N ATOM 1218 CA GLU A 75 5.943 0.779 -7.354 1.00 0.00 C ATOM 1219 C GLU A 75 4.938 -0.048 -6.574 1.00 0.00 C ATOM 1220 O GLU A 75 5.199 -1.197 -6.230 1.00 0.00 O ATOM 1221 CB GLU A 75 6.953 1.387 -6.399 1.00 0.00 C ATOM 1222 CG GLU A 75 8.082 2.114 -7.086 1.00 0.00 C ATOM 1223 CD GLU A 75 8.949 1.207 -7.905 1.00 0.00 C ATOM 1224 OE1 GLU A 75 9.741 0.433 -7.319 1.00 0.00 O ATOM 1225 OE2 GLU A 75 8.898 1.278 -9.152 1.00 0.00 O ATOM 0 H GLU A 75 5.365 2.765 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 75 6.458 0.126 -8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.438 2.081 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.369 0.597 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.669 2.891 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.695 2.614 -6.336 1.00 0.00 H new ATOM 1232 N PHE A 76 3.782 0.540 -6.329 1.00 0.00 N ATOM 1233 CA PHE A 76 2.715 -0.086 -5.572 1.00 0.00 C ATOM 1234 C PHE A 76 2.278 -1.411 -6.208 1.00 0.00 C ATOM 1235 O PHE A 76 2.134 -2.400 -5.511 1.00 0.00 O ATOM 1236 CB PHE A 76 1.561 0.917 -5.408 1.00 0.00 C ATOM 1237 CG PHE A 76 0.427 0.457 -4.552 1.00 0.00 C ATOM 1238 CD1 PHE A 76 0.653 -0.015 -3.269 1.00 0.00 C ATOM 1239 CD2 PHE A 76 -0.859 0.492 -5.032 1.00 0.00 C ATOM 1240 CE1 PHE A 76 -0.393 -0.444 -2.485 1.00 0.00 C ATOM 1241 CE2 PHE A 76 -1.916 0.062 -4.255 1.00 0.00 C ATOM 1242 CZ PHE A 76 -1.681 -0.408 -2.977 1.00 0.00 C ATOM 0 H PHE A 76 3.555 1.479 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 76 3.074 -0.349 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.961 1.839 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.172 1.161 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.660 -0.046 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.046 0.861 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.206 -0.808 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.923 0.093 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.504 -0.746 -2.365 1.00 0.00 H new ATOM 1252 N GLY A 77 2.175 -1.444 -7.534 1.00 0.00 N ATOM 1253 CA GLY A 77 1.780 -2.671 -8.227 1.00 0.00 C ATOM 1254 C GLY A 77 2.820 -3.787 -8.107 1.00 0.00 C ATOM 1255 O GLY A 77 2.486 -4.977 -8.211 1.00 0.00 O ATOM 0 H GLY A 77 2.356 -0.648 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.831 -3.021 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.614 -2.449 -9.281 1.00 0.00 H new ATOM 1259 N GLN A 78 4.070 -3.408 -7.877 1.00 0.00 N ATOM 1260 CA GLN A 78 5.153 -4.369 -7.713 1.00 0.00 C ATOM 1261 C GLN A 78 5.291 -4.797 -6.271 1.00 0.00 C ATOM 1262 O GLN A 78 5.735 -5.900 -5.994 1.00 0.00 O ATOM 1263 CB GLN A 78 6.480 -3.825 -8.223 1.00 0.00 C ATOM 1264 CG GLN A 78 6.556 -3.655 -9.727 1.00 0.00 C ATOM 1265 CD GLN A 78 7.889 -3.097 -10.162 1.00 0.00 C ATOM 1266 OE1 GLN A 78 8.512 -2.340 -9.437 1.00 0.00 O ATOM 1267 NE2 GLN A 78 8.347 -3.480 -11.324 1.00 0.00 N ATOM 0 H GLN A 78 4.361 -2.433 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 78 4.892 -5.240 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.667 -2.860 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.279 -4.495 -7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.390 -4.618 -10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.758 -2.990 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.798 -4.114 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.253 -3.145 -11.651 1.00 0.00 H new ATOM 1276 N PHE A 79 4.940 -3.919 -5.355 1.00 0.00 N ATOM 1277 CA PHE A 79 4.967 -4.260 -3.946 1.00 0.00 C ATOM 1278 C PHE A 79 3.811 -5.199 -3.648 1.00 0.00 C ATOM 1279 O PHE A 79 3.912 -6.116 -2.826 1.00 0.00 O ATOM 1280 CB PHE A 79 4.891 -3.000 -3.072 1.00 0.00 C ATOM 1281 CG PHE A 79 4.901 -3.299 -1.602 1.00 0.00 C ATOM 1282 CD1 PHE A 79 6.032 -3.823 -1.006 1.00 0.00 C ATOM 1283 CD2 PHE A 79 3.779 -3.067 -0.820 1.00 0.00 C ATOM 1284 CE1 PHE A 79 6.049 -4.114 0.336 1.00 0.00 C ATOM 1285 CE2 PHE A 79 3.795 -3.356 0.528 1.00 0.00 C ATOM 1286 CZ PHE A 79 4.936 -3.882 1.104 1.00 0.00 C ATOM 0 H PHE A 79 4.634 -2.968 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 79 5.908 -4.757 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.733 -2.350 -3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.983 -2.449 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.913 -4.006 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.887 -2.657 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.939 -4.526 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.919 -3.172 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.951 -4.111 2.159 1.00 0.00 H new ATOM 1296 N LEU A 80 2.724 -4.953 -4.333 1.00 0.00 N ATOM 1297 CA LEU A 80 1.551 -5.773 -4.266 1.00 0.00 C ATOM 1298 C LEU A 80 1.782 -7.115 -4.939 1.00 0.00 C ATOM 1299 O LEU A 80 2.684 -7.261 -5.773 1.00 0.00 O ATOM 1300 CB LEU A 80 0.396 -5.065 -4.961 1.00 0.00 C ATOM 1301 CG LEU A 80 -0.226 -3.905 -4.228 1.00 0.00 C ATOM 1302 CD1 LEU A 80 -1.131 -3.159 -5.166 1.00 0.00 C ATOM 1303 CD2 LEU A 80 -1.007 -4.406 -3.030 1.00 0.00 C ATOM 0 H LEU A 80 2.632 -4.158 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 80 1.315 -5.944 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.749 -4.707 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.384 -5.800 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 80 0.557 -3.235 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.585 -2.318 -4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.553 -2.790 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.914 -3.827 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.453 -3.560 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.794 -5.081 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.336 -4.938 -2.355 1.00 0.00 H new ATOM 1315 N PRO A 81 0.944 -8.113 -4.602 1.00 0.00 N ATOM 1316 CA PRO A 81 0.963 -9.461 -5.212 1.00 0.00 C ATOM 1317 C PRO A 81 0.668 -9.484 -6.738 1.00 0.00 C ATOM 1318 O PRO A 81 0.468 -10.551 -7.315 1.00 0.00 O ATOM 1319 CB PRO A 81 -0.159 -10.199 -4.467 1.00 0.00 C ATOM 1320 CG PRO A 81 -0.998 -9.130 -3.855 1.00 0.00 C ATOM 1321 CD PRO A 81 -0.064 -8.036 -3.518 1.00 0.00 C ATOM 0 HA PRO A 81 1.955 -9.903 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.744 -10.815 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.247 -10.864 -3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.767 -8.789 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.511 -9.495 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.565 -7.068 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 81 0.387 -8.179 -2.536 1.00 0.00 H new ATOM 1329 N GLU A 82 0.649 -8.334 -7.370 1.00 0.00 N ATOM 1330 CA GLU A 82 0.405 -8.250 -8.780 1.00 0.00 C ATOM 1331 C GLU A 82 1.647 -8.482 -9.595 1.00 0.00 C ATOM 1332 O GLU A 82 1.929 -9.615 -9.986 1.00 0.00 O ATOM 1333 CB GLU A 82 -0.282 -6.943 -9.180 1.00 0.00 C ATOM 1334 CG GLU A 82 -1.764 -6.956 -8.928 1.00 0.00 C ATOM 1335 CD GLU A 82 -2.414 -8.091 -9.674 1.00 0.00 C ATOM 1336 OE1 GLU A 82 -2.649 -7.974 -10.891 1.00 0.00 O ATOM 1337 OE2 GLU A 82 -2.662 -9.148 -9.072 1.00 0.00 O ATOM 0 H GLU A 82 0.803 -7.434 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.287 -9.061 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.168 -6.119 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.101 -6.753 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.957 -7.057 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.201 -6.008 -9.243 1.00 0.00 H new ATOM 1344 N ALA A 83 2.436 -7.452 -9.762 1.00 0.00 N ATOM 1345 CA ALA A 83 3.563 -7.505 -10.661 1.00 0.00 C ATOM 1346 C ALA A 83 4.691 -8.389 -10.162 1.00 0.00 C ATOM 1347 O ALA A 83 5.497 -8.855 -10.962 1.00 0.00 O ATOM 1348 CB ALA A 83 4.059 -6.112 -10.986 1.00 0.00 C ATOM 0 H ALA A 83 2.318 -6.559 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 83 3.203 -7.971 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.909 -6.178 -11.665 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.259 -5.542 -11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.366 -5.612 -10.068 1.00 0.00 H new ATOM 1354 N LYS A 84 4.755 -8.637 -8.859 1.00 0.00 N ATOM 1355 CA LYS A 84 5.829 -9.465 -8.339 1.00 0.00 C ATOM 1356 C LYS A 84 5.512 -10.953 -8.378 1.00 0.00 C ATOM 1357 O LYS A 84 6.409 -11.783 -8.276 1.00 0.00 O ATOM 1358 CB LYS A 84 6.263 -9.054 -6.955 1.00 0.00 C ATOM 1359 CG LYS A 84 5.262 -9.237 -5.857 1.00 0.00 C ATOM 1360 CD LYS A 84 5.935 -8.867 -4.582 1.00 0.00 C ATOM 1361 CE LYS A 84 5.036 -9.025 -3.376 1.00 0.00 C ATOM 1362 NZ LYS A 84 5.744 -8.688 -2.124 1.00 0.00 N ATOM 0 H LYS A 84 4.096 -8.287 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 84 6.666 -9.294 -9.016 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.159 -9.619 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.547 -8.002 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.387 -8.610 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.913 -10.269 -5.823 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.822 -9.487 -4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.275 -7.833 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.163 -8.382 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.672 -10.051 -3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.099 -8.807 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.563 -9.318 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.069 -7.701 -2.164 1.00 0.00 H new ATOM 1376 N ARG A 85 4.249 -11.298 -8.530 1.00 0.00 N ATOM 1377 CA ARG A 85 3.874 -12.712 -8.570 1.00 0.00 C ATOM 1378 C ARG A 85 3.659 -13.165 -10.002 1.00 0.00 C ATOM 1379 O ARG A 85 4.244 -12.581 -10.927 1.00 0.00 O ATOM 1380 CB ARG A 85 2.637 -13.015 -7.720 1.00 0.00 C ATOM 1381 CG ARG A 85 2.817 -12.789 -6.223 1.00 0.00 C ATOM 1382 CD ARG A 85 1.583 -13.243 -5.442 1.00 0.00 C ATOM 1383 NE ARG A 85 1.340 -14.679 -5.599 1.00 0.00 N ATOM 1384 CZ ARG A 85 0.258 -15.353 -5.185 1.00 0.00 C ATOM 1385 NH1 ARG A 85 -0.728 -14.742 -4.517 1.00 0.00 N ATOM 1386 NH2 ARG A 85 0.177 -16.658 -5.425 1.00 0.00 N ATOM 0 H ARG A 85 3.475 -10.641 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 85 4.703 -13.273 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.812 -12.394 -8.070 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.347 -14.053 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.693 -13.335 -5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.003 -11.732 -6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.715 -13.010 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.711 -12.687 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 85 2.066 -15.219 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.665 -13.744 -4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.543 -15.274 -4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.932 -17.134 -5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.641 -17.184 -5.116 1.00 0.00 H new TER 1400 ARG A 85