USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 159:sc= -0.144 (180deg=-0.66) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 29 ASN : amide:sc= 0.143 K(o=0.14,f=-1.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 42 THR OG1 : rot 80:sc= 0.29 USER MOD Single : A 44 CYS SG : rot 128:sc= -2.62! USER MOD Single : A 46 SER OG : rot 58:sc= 1.22 USER MOD Single : A 47 THR OG1 : rot -23:sc= 1.15 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 57 CYS SG : rot -68:sc= 0.355 USER MOD Single : A 58 GLN : amide:sc= -0.935 K(o=-0.93,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.0484 K(o=0.048,f=-0.54) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.12) USER MOD Single : A 78 CYS SG : rot 77:sc= 0.928 USER MOD Single : A 79 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 82 CYS SG : rot 71:sc= 0.31 USER MOD Single : A 87 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.029) USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= -0.136 (180deg=-0.65) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0328 (180deg=-0.372) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0501 (180deg=-0.286) USER MOD Single : A 99 MET CE :methyl 173:sc= -0.305 (180deg=-0.445) USER MOD Single : A 102 SER OG : rot 44:sc= -0.0592 USER MOD Single : A 103 LYS NZ :NH3+ -132:sc= -0.634 (180deg=-1.64!) USER MOD Single : A 107 LYS NZ :NH3+ -130:sc= -1.22 (180deg=-3.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -2.901 -19.922 2.281 1.00 0.00 N ATOM 2 CA GLY A 24 -4.195 -19.806 3.010 1.00 0.00 C ATOM 3 C GLY A 24 -5.392 -19.946 2.091 1.00 0.00 C ATOM 4 O GLY A 24 -5.375 -20.744 1.155 1.00 0.00 O ATOM 0 HA2 GLY A 24 -4.243 -20.573 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.239 -18.841 3.515 1.00 0.00 H new ATOM 10 N SER A 25 -6.435 -19.165 2.360 1.00 0.00 N ATOM 11 CA SER A 25 -7.648 -19.203 1.551 1.00 0.00 C ATOM 12 C SER A 25 -8.076 -17.798 1.145 1.00 0.00 C ATOM 13 O SER A 25 -8.334 -16.946 1.997 1.00 0.00 O ATOM 14 CB SER A 25 -8.778 -19.891 2.319 1.00 0.00 C ATOM 15 OG SER A 25 -8.442 -21.231 2.631 1.00 0.00 O ATOM 0 H SER A 25 -6.464 -18.499 3.132 1.00 0.00 H new ATOM 0 HA SER A 25 -7.433 -19.773 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.984 -19.342 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.691 -19.871 1.724 1.00 0.00 H new ATOM 0 HG SER A 25 -9.180 -21.647 3.123 1.00 0.00 H new ATOM 21 N HIS A 26 -8.149 -17.562 -0.160 1.00 0.00 N ATOM 22 CA HIS A 26 -8.546 -16.260 -0.680 1.00 0.00 C ATOM 23 C HIS A 26 -10.064 -16.124 -0.705 1.00 0.00 C ATOM 24 O HIS A 26 -10.725 -16.590 -1.633 1.00 0.00 O ATOM 25 CB HIS A 26 -7.981 -16.051 -2.086 1.00 0.00 C ATOM 26 CG HIS A 26 -6.486 -16.113 -2.144 1.00 0.00 C ATOM 27 ND1 HIS A 26 -5.797 -17.145 -2.747 1.00 0.00 N ATOM 28 CD2 HIS A 26 -5.544 -15.260 -1.674 1.00 0.00 C ATOM 29 CE1 HIS A 26 -4.498 -16.924 -2.646 1.00 0.00 C ATOM 30 NE2 HIS A 26 -4.320 -15.786 -2.000 1.00 0.00 N ATOM 0 H HIS A 26 -7.938 -18.256 -0.877 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.141 -15.495 -0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.394 -16.809 -2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -8.311 -15.083 -2.462 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.724 -14.338 -1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.716 -17.564 -3.027 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.417 -15.366 -1.779 1.00 0.00 H new ATOM 39 N MET A 27 -10.611 -15.489 0.327 1.00 0.00 N ATOM 40 CA MET A 27 -12.052 -15.287 0.425 1.00 0.00 C ATOM 41 C MET A 27 -12.443 -13.941 -0.173 1.00 0.00 C ATOM 42 O MET A 27 -13.622 -13.586 -0.219 1.00 0.00 O ATOM 43 CB MET A 27 -12.501 -15.366 1.887 1.00 0.00 C ATOM 44 CG MET A 27 -14.010 -15.458 2.060 1.00 0.00 C ATOM 45 SD MET A 27 -14.510 -15.513 3.791 1.00 0.00 S ATOM 46 CE MET A 27 -13.947 -13.910 4.358 1.00 0.00 C ATOM 0 H MET A 27 -10.078 -15.105 1.107 1.00 0.00 H new ATOM 0 HA MET A 27 -12.551 -16.076 -0.138 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.037 -16.235 2.354 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.136 -14.487 2.418 1.00 0.00 H new ATOM 0 HG2 MET A 27 -14.480 -14.601 1.577 1.00 0.00 H new ATOM 0 HG3 MET A 27 -14.376 -16.350 1.552 1.00 0.00 H new ATOM 0 HE1 MET A 27 -14.488 -13.634 5.263 1.00 0.00 H new ATOM 0 HE2 MET A 27 -12.879 -13.954 4.572 1.00 0.00 H new ATOM 0 HE3 MET A 27 -14.131 -13.165 3.584 1.00 0.00 H new ATOM 56 N ASN A 28 -11.440 -13.197 -0.633 1.00 0.00 N ATOM 57 CA ASN A 28 -11.662 -11.884 -1.232 1.00 0.00 C ATOM 58 C ASN A 28 -12.320 -10.936 -0.235 1.00 0.00 C ATOM 59 O ASN A 28 -13.545 -10.883 -0.126 1.00 0.00 O ATOM 60 CB ASN A 28 -12.526 -12.003 -2.490 1.00 0.00 C ATOM 61 CG ASN A 28 -12.750 -10.666 -3.169 1.00 0.00 C ATOM 62 OD1 ASN A 28 -11.906 -9.772 -3.098 1.00 0.00 O ATOM 63 ND2 ASN A 28 -13.892 -10.521 -3.831 1.00 0.00 N ATOM 0 H ASN A 28 -10.461 -13.483 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.691 -11.475 -1.511 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.049 -12.688 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.490 -12.438 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.098 -9.642 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.563 -11.288 -3.864 1.00 0.00 H new ATOM 70 N ASN A 29 -11.494 -10.194 0.496 1.00 0.00 N ATOM 71 CA ASN A 29 -11.989 -9.246 1.486 1.00 0.00 C ATOM 72 C ASN A 29 -11.836 -7.815 0.985 1.00 0.00 C ATOM 73 O ASN A 29 -11.410 -7.585 -0.147 1.00 0.00 O ATOM 74 CB ASN A 29 -11.240 -9.420 2.808 1.00 0.00 C ATOM 75 CG ASN A 29 -9.756 -9.141 2.674 1.00 0.00 C ATOM 76 OD1 ASN A 29 -9.306 -8.008 2.848 1.00 0.00 O ATOM 77 ND2 ASN A 29 -8.984 -10.176 2.361 1.00 0.00 N ATOM 0 H ASN A 29 -10.477 -10.232 0.421 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.048 -9.445 1.650 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.667 -8.750 3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.384 -10.437 3.173 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.977 -10.048 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.398 -11.098 2.226 1.00 0.00 H new ATOM 84 N GLU A 30 -12.190 -6.855 1.834 1.00 0.00 N ATOM 85 CA GLU A 30 -12.090 -5.444 1.478 1.00 0.00 C ATOM 86 C GLU A 30 -11.454 -4.642 2.608 1.00 0.00 C ATOM 87 O GLU A 30 -11.016 -3.508 2.408 1.00 0.00 O ATOM 88 CB GLU A 30 -13.477 -4.885 1.153 1.00 0.00 C ATOM 89 CG GLU A 30 -13.451 -3.462 0.622 1.00 0.00 C ATOM 90 CD GLU A 30 -14.835 -2.941 0.289 1.00 0.00 C ATOM 91 OE1 GLU A 30 -15.515 -2.433 1.205 1.00 0.00 O ATOM 92 OE2 GLU A 30 -15.239 -3.042 -0.889 1.00 0.00 O ATOM 0 H GLU A 30 -12.549 -7.029 2.773 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.454 -5.357 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.956 -5.530 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.092 -4.917 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.989 -2.810 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.827 -3.422 -0.271 1.00 0.00 H new ATOM 99 N ASP A 31 -11.401 -5.239 3.794 1.00 0.00 N ATOM 100 CA ASP A 31 -10.819 -4.580 4.958 1.00 0.00 C ATOM 101 C ASP A 31 -9.302 -4.727 4.966 1.00 0.00 C ATOM 102 O ASP A 31 -8.773 -5.822 4.770 1.00 0.00 O ATOM 103 CB ASP A 31 -11.406 -5.162 6.244 1.00 0.00 C ATOM 104 CG ASP A 31 -12.906 -4.969 6.333 1.00 0.00 C ATOM 105 OD1 ASP A 31 -13.645 -5.784 5.740 1.00 0.00 O ATOM 106 OD2 ASP A 31 -13.343 -4.004 6.994 1.00 0.00 O ATOM 0 H ASP A 31 -11.754 -6.179 3.975 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.062 -3.519 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.176 -6.226 6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.930 -4.690 7.104 1.00 0.00 H new ATOM 111 N PHE A 32 -8.605 -3.618 5.196 1.00 0.00 N ATOM 112 CA PHE A 32 -7.147 -3.624 5.232 1.00 0.00 C ATOM 113 C PHE A 32 -6.638 -3.911 6.641 1.00 0.00 C ATOM 114 O PHE A 32 -5.461 -4.212 6.836 1.00 0.00 O ATOM 115 CB PHE A 32 -6.595 -2.286 4.736 1.00 0.00 C ATOM 116 CG PHE A 32 -7.155 -1.096 5.462 1.00 0.00 C ATOM 117 CD1 PHE A 32 -6.550 -0.619 6.614 1.00 0.00 C ATOM 118 CD2 PHE A 32 -8.289 -0.453 4.990 1.00 0.00 C ATOM 119 CE1 PHE A 32 -7.064 0.476 7.281 1.00 0.00 C ATOM 120 CE2 PHE A 32 -8.808 0.642 5.653 1.00 0.00 C ATOM 121 CZ PHE A 32 -8.195 1.108 6.800 1.00 0.00 C ATOM 0 H PHE A 32 -9.027 -2.704 5.360 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.796 -4.417 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.510 -2.288 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.810 -2.186 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.666 -1.109 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.772 -0.812 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.583 0.838 8.177 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.692 1.133 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.599 1.964 7.320 1.00 0.00 H new ATOM 131 N SER A 33 -7.533 -3.813 7.621 1.00 0.00 N ATOM 132 CA SER A 33 -7.174 -4.067 9.011 1.00 0.00 C ATOM 133 C SER A 33 -6.848 -5.541 9.220 1.00 0.00 C ATOM 134 O SER A 33 -6.232 -5.917 10.219 1.00 0.00 O ATOM 135 CB SER A 33 -8.312 -3.645 9.941 1.00 0.00 C ATOM 136 OG SER A 33 -8.611 -2.268 9.789 1.00 0.00 O ATOM 0 H SER A 33 -8.511 -3.560 7.477 1.00 0.00 H new ATOM 0 HA SER A 33 -6.288 -3.477 9.248 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.200 -4.239 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.035 -3.848 10.975 1.00 0.00 H new ATOM 0 HG SER A 33 -9.343 -2.024 10.393 1.00 0.00 H new ATOM 142 N GLN A 34 -7.266 -6.372 8.271 1.00 0.00 N ATOM 143 CA GLN A 34 -7.018 -7.807 8.342 1.00 0.00 C ATOM 144 C GLN A 34 -5.829 -8.188 7.466 1.00 0.00 C ATOM 145 O GLN A 34 -5.258 -9.269 7.610 1.00 0.00 O ATOM 146 CB GLN A 34 -8.263 -8.583 7.904 1.00 0.00 C ATOM 147 CG GLN A 34 -8.127 -10.090 8.051 1.00 0.00 C ATOM 148 CD GLN A 34 -9.357 -10.837 7.572 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.457 -11.205 6.401 1.00 0.00 O ATOM 150 NE2 GLN A 34 -10.302 -11.063 8.477 1.00 0.00 N ATOM 0 H GLN A 34 -7.780 -6.075 7.441 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.786 -8.066 9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.116 -8.245 8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.480 -8.347 6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.258 -10.429 7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.943 -10.334 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.177 -10.740 9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.153 -11.560 8.213 1.00 0.00 H new ATOM 159 N TRP A 35 -5.459 -7.287 6.560 1.00 0.00 N ATOM 160 CA TRP A 35 -4.341 -7.521 5.653 1.00 0.00 C ATOM 161 C TRP A 35 -3.051 -7.796 6.421 1.00 0.00 C ATOM 162 O TRP A 35 -2.930 -7.460 7.599 1.00 0.00 O ATOM 163 CB TRP A 35 -4.143 -6.318 4.728 1.00 0.00 C ATOM 164 CG TRP A 35 -5.116 -6.258 3.588 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.206 -7.058 3.387 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.083 -5.345 2.486 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.849 -6.697 2.228 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.179 -5.648 1.657 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.230 -4.300 2.119 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.445 -4.942 0.485 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.496 -3.600 0.957 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.594 -3.923 0.151 1.00 0.00 C ATOM 0 H TRP A 35 -5.919 -6.385 6.435 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.580 -8.401 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.230 -5.403 5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.130 -6.344 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.516 -7.857 4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.689 -7.138 1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.379 -4.044 2.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.292 -5.190 -0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.845 -2.789 0.666 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.773 -3.358 -0.752 1.00 0.00 H new ATOM 183 N SER A 36 -2.092 -8.412 5.738 1.00 0.00 N ATOM 184 CA SER A 36 -0.801 -8.733 6.336 1.00 0.00 C ATOM 185 C SER A 36 0.332 -8.222 5.452 1.00 0.00 C ATOM 186 O SER A 36 0.087 -7.548 4.452 1.00 0.00 O ATOM 187 CB SER A 36 -0.675 -10.246 6.538 1.00 0.00 C ATOM 188 OG SER A 36 0.524 -10.575 7.218 1.00 0.00 O ATOM 0 H SER A 36 -2.186 -8.700 4.764 1.00 0.00 H new ATOM 0 HA SER A 36 -0.733 -8.243 7.307 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.530 -10.612 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.697 -10.748 5.571 1.00 0.00 H new ATOM 0 HG SER A 36 0.578 -11.547 7.335 1.00 0.00 H new ATOM 194 N VAL A 37 1.568 -8.540 5.821 1.00 0.00 N ATOM 195 CA VAL A 37 2.728 -8.106 5.051 1.00 0.00 C ATOM 196 C VAL A 37 2.623 -8.549 3.593 1.00 0.00 C ATOM 197 O VAL A 37 2.837 -7.755 2.678 1.00 0.00 O ATOM 198 CB VAL A 37 4.043 -8.648 5.650 1.00 0.00 C ATOM 199 CG1 VAL A 37 5.226 -8.306 4.757 1.00 0.00 C ATOM 200 CG2 VAL A 37 4.259 -8.098 7.051 1.00 0.00 C ATOM 0 H VAL A 37 1.792 -9.095 6.647 1.00 0.00 H new ATOM 0 HA VAL A 37 2.742 -7.017 5.096 1.00 0.00 H new ATOM 0 HB VAL A 37 3.965 -9.733 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.142 -8.698 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.079 -8.751 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.306 -7.223 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.191 -8.491 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.311 -7.010 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.429 -8.398 7.691 1.00 0.00 H new ATOM 210 N ASP A 38 2.286 -9.817 3.384 1.00 0.00 N ATOM 211 CA ASP A 38 2.165 -10.368 2.037 1.00 0.00 C ATOM 212 C ASP A 38 1.061 -9.672 1.242 1.00 0.00 C ATOM 213 O ASP A 38 1.211 -9.425 0.046 1.00 0.00 O ATOM 214 CB ASP A 38 1.886 -11.870 2.104 1.00 0.00 C ATOM 215 CG ASP A 38 3.027 -12.646 2.733 1.00 0.00 C ATOM 216 OD1 ASP A 38 3.020 -12.814 3.971 1.00 0.00 O ATOM 217 OD2 ASP A 38 3.928 -13.084 1.987 1.00 0.00 O ATOM 0 H ASP A 38 2.091 -10.484 4.131 1.00 0.00 H new ATOM 0 HA ASP A 38 3.111 -10.196 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.975 -12.042 2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.705 -12.248 1.098 1.00 0.00 H new ATOM 222 N ASP A 39 -0.043 -9.359 1.913 1.00 0.00 N ATOM 223 CA ASP A 39 -1.173 -8.703 1.260 1.00 0.00 C ATOM 224 C ASP A 39 -0.820 -7.283 0.824 1.00 0.00 C ATOM 225 O ASP A 39 -1.148 -6.868 -0.288 1.00 0.00 O ATOM 226 CB ASP A 39 -2.382 -8.676 2.197 1.00 0.00 C ATOM 227 CG ASP A 39 -2.830 -10.066 2.603 1.00 0.00 C ATOM 228 OD1 ASP A 39 -2.307 -10.589 3.609 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.703 -10.633 1.912 1.00 0.00 O ATOM 0 H ASP A 39 -0.180 -9.548 2.906 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.420 -9.278 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.133 -8.102 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.207 -8.160 1.706 1.00 0.00 H new ATOM 234 N VAL A 40 -0.153 -6.543 1.703 1.00 0.00 N ATOM 235 CA VAL A 40 0.235 -5.168 1.408 1.00 0.00 C ATOM 236 C VAL A 40 1.293 -5.108 0.309 1.00 0.00 C ATOM 237 O VAL A 40 1.272 -4.210 -0.533 1.00 0.00 O ATOM 238 CB VAL A 40 0.770 -4.455 2.667 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.182 -3.024 2.345 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.271 -4.475 3.777 1.00 0.00 C ATOM 0 H VAL A 40 0.130 -6.872 2.626 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.663 -4.656 1.062 1.00 0.00 H new ATOM 0 HB VAL A 40 1.652 -4.993 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.556 -2.541 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.965 -3.033 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.320 -2.473 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.125 -3.967 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.173 -3.965 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.512 -5.507 4.032 1.00 0.00 H new ATOM 250 N ILE A 41 2.214 -6.067 0.319 1.00 0.00 N ATOM 251 CA ILE A 41 3.282 -6.110 -0.676 1.00 0.00 C ATOM 252 C ILE A 41 2.745 -6.426 -2.069 1.00 0.00 C ATOM 253 O ILE A 41 2.906 -5.633 -2.997 1.00 0.00 O ATOM 254 CB ILE A 41 4.357 -7.152 -0.304 1.00 0.00 C ATOM 255 CG1 ILE A 41 5.089 -6.726 0.970 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.345 -7.334 -1.450 1.00 0.00 C ATOM 257 CD1 ILE A 41 6.055 -7.767 1.491 1.00 0.00 C ATOM 0 H ILE A 41 2.243 -6.823 1.003 1.00 0.00 H new ATOM 0 HA ILE A 41 3.732 -5.117 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 41 3.865 -8.107 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.634 -5.803 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.354 -6.505 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.096 -8.073 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.813 -7.676 -2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.833 -6.383 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.537 -7.396 2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.513 -8.685 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.812 -7.972 0.734 1.00 0.00 H new ATOM 269 N THR A 42 2.114 -7.587 -2.210 1.00 0.00 N ATOM 270 CA THR A 42 1.566 -8.010 -3.496 1.00 0.00 C ATOM 271 C THR A 42 0.639 -6.954 -4.091 1.00 0.00 C ATOM 272 O THR A 42 0.840 -6.511 -5.220 1.00 0.00 O ATOM 273 CB THR A 42 0.799 -9.340 -3.376 1.00 0.00 C ATOM 274 OG1 THR A 42 1.646 -10.348 -2.810 1.00 0.00 O ATOM 275 CG2 THR A 42 0.300 -9.799 -4.739 1.00 0.00 C ATOM 0 H THR A 42 1.969 -8.252 -1.451 1.00 0.00 H new ATOM 0 HA THR A 42 2.419 -8.148 -4.160 1.00 0.00 H new ATOM 0 HB THR A 42 -0.060 -9.181 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.681 -10.238 -1.837 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.239 -10.740 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.367 -9.044 -5.155 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.149 -9.941 -5.408 1.00 0.00 H new ATOM 283 N TRP A 43 -0.373 -6.554 -3.326 1.00 0.00 N ATOM 284 CA TRP A 43 -1.335 -5.555 -3.786 1.00 0.00 C ATOM 285 C TRP A 43 -0.633 -4.290 -4.276 1.00 0.00 C ATOM 286 O TRP A 43 -0.874 -3.830 -5.393 1.00 0.00 O ATOM 287 CB TRP A 43 -2.315 -5.201 -2.664 1.00 0.00 C ATOM 288 CG TRP A 43 -3.214 -4.048 -3.002 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.382 -4.096 -3.709 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.012 -2.675 -2.650 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.918 -2.835 -3.818 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.096 -1.945 -3.177 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.021 -1.990 -1.940 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.213 -0.567 -3.016 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.140 -0.622 -1.781 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.229 0.076 -2.317 1.00 0.00 C ATOM 0 H TRP A 43 -0.549 -6.906 -2.385 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.885 -5.987 -4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.926 -6.074 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.752 -4.961 -1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.820 -4.993 -4.122 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.787 -2.600 -4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.178 -2.520 -1.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.051 -0.025 -3.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.381 -0.083 -1.234 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.293 1.145 -2.175 1.00 0.00 H new ATOM 307 N CYS A 44 0.232 -3.736 -3.432 1.00 0.00 N ATOM 308 CA CYS A 44 0.963 -2.519 -3.770 1.00 0.00 C ATOM 309 C CYS A 44 1.717 -2.670 -5.087 1.00 0.00 C ATOM 310 O CYS A 44 1.405 -2.002 -6.070 1.00 0.00 O ATOM 311 CB CYS A 44 1.941 -2.165 -2.650 1.00 0.00 C ATOM 312 SG CYS A 44 2.811 -0.600 -2.897 1.00 0.00 S ATOM 0 H CYS A 44 0.444 -4.111 -2.508 1.00 0.00 H new ATOM 0 HA CYS A 44 0.237 -1.715 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.396 -2.120 -1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.675 -2.965 -2.557 1.00 0.00 H new ATOM 0 HG CYS A 44 2.684 0.140 -1.835 1.00 0.00 H new ATOM 318 N ILE A 45 2.705 -3.556 -5.095 1.00 0.00 N ATOM 319 CA ILE A 45 3.525 -3.803 -6.281 1.00 0.00 C ATOM 320 C ILE A 45 2.677 -4.092 -7.521 1.00 0.00 C ATOM 321 O ILE A 45 3.029 -3.692 -8.630 1.00 0.00 O ATOM 322 CB ILE A 45 4.481 -4.990 -6.040 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.361 -4.722 -4.816 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.337 -5.248 -7.270 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.243 -5.892 -4.435 1.00 0.00 C ATOM 0 H ILE A 45 2.962 -4.122 -4.286 1.00 0.00 H new ATOM 0 HA ILE A 45 4.096 -2.892 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 45 3.884 -5.882 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.989 -3.854 -5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.723 -4.468 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.004 -6.089 -7.079 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.694 -5.480 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.928 -4.360 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.838 -5.630 -3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.621 -6.757 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.906 -6.133 -5.266 1.00 0.00 H new ATOM 337 N SER A 46 1.557 -4.780 -7.328 1.00 0.00 N ATOM 338 CA SER A 46 0.674 -5.142 -8.436 1.00 0.00 C ATOM 339 C SER A 46 0.116 -3.919 -9.165 1.00 0.00 C ATOM 340 O SER A 46 -0.354 -4.034 -10.297 1.00 0.00 O ATOM 341 CB SER A 46 -0.483 -6.006 -7.930 1.00 0.00 C ATOM 342 OG SER A 46 -0.031 -7.294 -7.546 1.00 0.00 O ATOM 0 H SER A 46 1.237 -5.100 -6.414 1.00 0.00 H new ATOM 0 HA SER A 46 1.277 -5.705 -9.149 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.961 -5.517 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.238 -6.100 -8.710 1.00 0.00 H new ATOM 0 HG SER A 46 0.651 -7.207 -6.848 1.00 0.00 H new ATOM 348 N THR A 47 0.170 -2.753 -8.529 1.00 0.00 N ATOM 349 CA THR A 47 -0.359 -1.540 -9.148 1.00 0.00 C ATOM 350 C THR A 47 0.437 -0.294 -8.763 1.00 0.00 C ATOM 351 O THR A 47 -0.009 0.827 -9.008 1.00 0.00 O ATOM 352 CB THR A 47 -1.835 -1.324 -8.761 1.00 0.00 C ATOM 353 OG1 THR A 47 -2.344 -0.140 -9.385 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.989 -1.215 -7.249 1.00 0.00 C ATOM 0 H THR A 47 0.568 -2.621 -7.599 1.00 0.00 H new ATOM 0 HA THR A 47 -0.272 -1.686 -10.225 1.00 0.00 H new ATOM 0 HB THR A 47 -2.405 -2.186 -9.108 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.600 0.457 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.039 -1.063 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.634 -2.133 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.404 -0.371 -6.884 1.00 0.00 H new ATOM 362 N LEU A 48 1.614 -0.480 -8.176 1.00 0.00 N ATOM 363 CA LEU A 48 2.429 0.659 -7.767 1.00 0.00 C ATOM 364 C LEU A 48 3.402 1.076 -8.865 1.00 0.00 C ATOM 365 O LEU A 48 3.232 2.123 -9.489 1.00 0.00 O ATOM 366 CB LEU A 48 3.208 0.322 -6.498 1.00 0.00 C ATOM 367 CG LEU A 48 3.891 1.513 -5.829 1.00 0.00 C ATOM 368 CD1 LEU A 48 2.895 2.301 -4.994 1.00 0.00 C ATOM 369 CD2 LEU A 48 5.055 1.040 -4.975 1.00 0.00 C ATOM 0 H LEU A 48 2.021 -1.393 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 48 1.754 1.493 -7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.527 -0.137 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.965 -0.424 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 48 4.279 2.173 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.401 3.145 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.093 2.668 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.476 1.655 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.533 1.899 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.689 0.361 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.779 0.521 -5.603 1.00 0.00 H new ATOM 381 N GLU A 49 4.420 0.254 -9.099 1.00 0.00 N ATOM 382 CA GLU A 49 5.412 0.551 -10.126 1.00 0.00 C ATOM 383 C GLU A 49 5.888 -0.718 -10.828 1.00 0.00 C ATOM 384 O GLU A 49 5.504 -1.000 -11.962 1.00 0.00 O ATOM 385 CB GLU A 49 6.603 1.291 -9.510 1.00 0.00 C ATOM 386 CG GLU A 49 7.333 2.199 -10.488 1.00 0.00 C ATOM 387 CD GLU A 49 7.887 1.451 -11.685 1.00 0.00 C ATOM 388 OE1 GLU A 49 9.043 0.986 -11.612 1.00 0.00 O ATOM 389 OE2 GLU A 49 7.163 1.333 -12.697 1.00 0.00 O ATOM 0 H GLU A 49 4.579 -0.618 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 49 4.939 1.189 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.252 1.887 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.307 0.560 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.650 2.975 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.150 2.701 -9.970 1.00 0.00 H new ATOM 396 N VAL A 50 6.730 -1.478 -10.130 1.00 0.00 N ATOM 397 CA VAL A 50 7.294 -2.713 -10.667 1.00 0.00 C ATOM 398 C VAL A 50 6.417 -3.920 -10.353 1.00 0.00 C ATOM 399 O VAL A 50 5.317 -3.783 -9.822 1.00 0.00 O ATOM 400 CB VAL A 50 8.708 -2.964 -10.096 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.686 -1.919 -10.610 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.678 -2.968 -8.574 1.00 0.00 C ATOM 0 H VAL A 50 7.038 -1.257 -9.183 1.00 0.00 H new ATOM 0 HA VAL A 50 7.347 -2.589 -11.749 1.00 0.00 H new ATOM 0 HB VAL A 50 9.045 -3.944 -10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.676 -2.113 -10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.731 -1.967 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.353 -0.927 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.683 -3.146 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.318 -2.004 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.011 -3.757 -8.225 1.00 0.00 H new ATOM 412 N GLU A 51 6.916 -5.103 -10.704 1.00 0.00 N ATOM 413 CA GLU A 51 6.208 -6.353 -10.450 1.00 0.00 C ATOM 414 C GLU A 51 6.925 -7.127 -9.350 1.00 0.00 C ATOM 415 O GLU A 51 7.825 -6.590 -8.705 1.00 0.00 O ATOM 416 CB GLU A 51 6.129 -7.192 -11.728 1.00 0.00 C ATOM 417 CG GLU A 51 7.477 -7.425 -12.390 1.00 0.00 C ATOM 418 CD GLU A 51 7.364 -8.212 -13.681 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.136 -7.588 -14.739 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.500 -9.453 -13.633 1.00 0.00 O ATOM 0 H GLU A 51 7.816 -5.221 -11.169 1.00 0.00 H new ATOM 0 HA GLU A 51 5.191 -6.129 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.679 -8.156 -11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.467 -6.696 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.948 -6.464 -12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.130 -7.959 -11.699 1.00 0.00 H new ATOM 427 N GLU A 52 6.530 -8.378 -9.120 1.00 0.00 N ATOM 428 CA GLU A 52 7.178 -9.174 -8.083 1.00 0.00 C ATOM 429 C GLU A 52 8.527 -9.690 -8.575 1.00 0.00 C ATOM 430 O GLU A 52 8.693 -10.879 -8.850 1.00 0.00 O ATOM 431 CB GLU A 52 6.287 -10.349 -7.671 1.00 0.00 C ATOM 432 CG GLU A 52 5.006 -9.931 -6.964 1.00 0.00 C ATOM 433 CD GLU A 52 4.019 -9.251 -7.893 1.00 0.00 C ATOM 434 OE1 GLU A 52 3.280 -9.968 -8.601 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.983 -8.004 -7.912 1.00 0.00 O ATOM 0 H GLU A 52 5.782 -8.853 -9.625 1.00 0.00 H new ATOM 0 HA GLU A 52 7.340 -8.537 -7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.029 -10.926 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.854 -11.010 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.536 -10.810 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.252 -9.255 -6.145 1.00 0.00 H new ATOM 442 N THR A 53 9.485 -8.775 -8.685 1.00 0.00 N ATOM 443 CA THR A 53 10.833 -9.104 -9.128 1.00 0.00 C ATOM 444 C THR A 53 11.855 -8.248 -8.392 1.00 0.00 C ATOM 445 O THR A 53 12.825 -8.751 -7.826 1.00 0.00 O ATOM 446 CB THR A 53 10.998 -8.891 -10.646 1.00 0.00 C ATOM 447 OG1 THR A 53 10.749 -7.521 -10.979 1.00 0.00 O ATOM 448 CG2 THR A 53 10.047 -9.787 -11.426 1.00 0.00 C ATOM 0 H THR A 53 9.348 -7.787 -8.470 1.00 0.00 H new ATOM 0 HA THR A 53 11.001 -10.157 -8.904 1.00 0.00 H new ATOM 0 HB THR A 53 12.021 -9.151 -10.917 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.858 -7.394 -11.945 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.182 -9.618 -12.494 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.258 -10.831 -11.194 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.019 -9.554 -11.149 1.00 0.00 H new ATOM 456 N ASP A 54 11.610 -6.941 -8.417 1.00 0.00 N ATOM 457 CA ASP A 54 12.479 -5.962 -7.776 1.00 0.00 C ATOM 458 C ASP A 54 12.620 -6.236 -6.280 1.00 0.00 C ATOM 459 O ASP A 54 11.721 -6.803 -5.661 1.00 0.00 O ATOM 460 CB ASP A 54 11.905 -4.560 -7.989 1.00 0.00 C ATOM 461 CG ASP A 54 12.945 -3.569 -8.475 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.287 -3.607 -9.675 1.00 0.00 O ATOM 463 OD2 ASP A 54 13.413 -2.750 -7.655 1.00 0.00 O ATOM 0 H ASP A 54 10.801 -6.531 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 54 13.469 -6.036 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.092 -4.611 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.477 -4.201 -7.053 1.00 0.00 H new ATOM 468 N PRO A 55 13.756 -5.833 -5.675 1.00 0.00 N ATOM 469 CA PRO A 55 13.996 -6.022 -4.243 1.00 0.00 C ATOM 470 C PRO A 55 13.023 -5.210 -3.393 1.00 0.00 C ATOM 471 O PRO A 55 13.044 -5.289 -2.165 1.00 0.00 O ATOM 472 CB PRO A 55 15.431 -5.518 -4.034 1.00 0.00 C ATOM 473 CG PRO A 55 16.033 -5.465 -5.395 1.00 0.00 C ATOM 474 CD PRO A 55 14.898 -5.179 -6.336 1.00 0.00 C ATOM 0 HA PRO A 55 13.856 -7.061 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 55 15.438 -4.535 -3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.992 -6.188 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.795 -4.688 -5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.519 -6.408 -5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.735 -4.108 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 55 15.081 -5.591 -7.328 1.00 0.00 H new ATOM 482 N LEU A 56 12.177 -4.424 -4.058 1.00 0.00 N ATOM 483 CA LEU A 56 11.189 -3.598 -3.370 1.00 0.00 C ATOM 484 C LEU A 56 10.372 -4.439 -2.400 1.00 0.00 C ATOM 485 O LEU A 56 10.088 -4.017 -1.279 1.00 0.00 O ATOM 486 CB LEU A 56 10.262 -2.924 -4.385 1.00 0.00 C ATOM 487 CG LEU A 56 9.117 -2.105 -3.781 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.654 -0.871 -3.073 1.00 0.00 C ATOM 489 CD2 LEU A 56 8.118 -1.710 -4.859 1.00 0.00 C ATOM 0 H LEU A 56 12.157 -4.343 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 56 11.717 -2.829 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.860 -2.270 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.836 -3.693 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 56 8.604 -2.724 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.824 -0.304 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.329 -1.175 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.194 -0.248 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.311 -1.129 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.620 -1.110 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.706 -2.608 -5.320 1.00 0.00 H new ATOM 501 N CYS A 57 9.994 -5.633 -2.845 1.00 0.00 N ATOM 502 CA CYS A 57 9.214 -6.546 -2.018 1.00 0.00 C ATOM 503 C CYS A 57 9.959 -6.882 -0.730 1.00 0.00 C ATOM 504 O CYS A 57 9.348 -7.069 0.322 1.00 0.00 O ATOM 505 CB CYS A 57 8.902 -7.827 -2.793 1.00 0.00 C ATOM 506 SG CYS A 57 10.369 -8.730 -3.346 1.00 0.00 S ATOM 0 H CYS A 57 10.215 -5.991 -3.774 1.00 0.00 H new ATOM 0 HA CYS A 57 8.278 -6.053 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.301 -8.483 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.295 -7.575 -3.662 1.00 0.00 H new ATOM 0 HG CYS A 57 10.988 -8.037 -4.255 1.00 0.00 H new ATOM 512 N GLN A 58 11.286 -6.957 -0.821 1.00 0.00 N ATOM 513 CA GLN A 58 12.117 -7.266 0.338 1.00 0.00 C ATOM 514 C GLN A 58 12.117 -6.105 1.328 1.00 0.00 C ATOM 515 O GLN A 58 12.180 -6.311 2.540 1.00 0.00 O ATOM 516 CB GLN A 58 13.550 -7.579 -0.097 1.00 0.00 C ATOM 517 CG GLN A 58 14.474 -7.937 1.057 1.00 0.00 C ATOM 518 CD GLN A 58 15.903 -8.187 0.612 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.850 -7.925 1.354 1.00 0.00 O ATOM 520 NE2 GLN A 58 16.067 -8.701 -0.602 1.00 0.00 N ATOM 0 H GLN A 58 11.807 -6.808 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 58 11.697 -8.144 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.533 -8.406 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.958 -6.716 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.463 -7.130 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.094 -8.827 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.254 -8.903 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.006 -8.894 -0.952 1.00 0.00 H new ATOM 529 N ARG A 59 12.050 -4.885 0.802 1.00 0.00 N ATOM 530 CA ARG A 59 12.036 -3.692 1.641 1.00 0.00 C ATOM 531 C ARG A 59 10.742 -3.617 2.444 1.00 0.00 C ATOM 532 O ARG A 59 10.765 -3.444 3.663 1.00 0.00 O ATOM 533 CB ARG A 59 12.201 -2.433 0.785 1.00 0.00 C ATOM 534 CG ARG A 59 13.561 -2.332 0.110 1.00 0.00 C ATOM 535 CD ARG A 59 14.684 -2.211 1.130 1.00 0.00 C ATOM 536 NE ARG A 59 16.000 -2.195 0.497 1.00 0.00 N ATOM 537 CZ ARG A 59 17.145 -2.226 1.174 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.135 -2.270 2.500 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.302 -2.215 0.526 1.00 0.00 N ATOM 0 H ARG A 59 12.005 -4.697 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 59 12.873 -3.753 2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.423 -2.418 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.049 -1.554 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.726 -3.212 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.576 -1.467 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.550 -1.298 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.629 -3.044 1.830 1.00 0.00 H new ATOM 0 HE ARG A 59 16.044 -2.158 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.248 -2.280 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.014 -2.294 3.016 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.315 -2.183 -0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.179 -2.239 1.047 1.00 0.00 H new ATOM 553 N LEU A 60 9.616 -3.743 1.751 1.00 0.00 N ATOM 554 CA LEU A 60 8.312 -3.707 2.399 1.00 0.00 C ATOM 555 C LEU A 60 8.200 -4.831 3.425 1.00 0.00 C ATOM 556 O LEU A 60 7.609 -4.658 4.491 1.00 0.00 O ATOM 557 CB LEU A 60 7.197 -3.838 1.359 1.00 0.00 C ATOM 558 CG LEU A 60 7.182 -2.755 0.278 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.145 -3.077 -0.788 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.906 -1.392 0.893 1.00 0.00 C ATOM 0 H LEU A 60 9.581 -3.871 0.740 1.00 0.00 H new ATOM 0 HA LEU A 60 8.207 -2.750 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.286 -4.810 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.237 -3.826 1.876 1.00 0.00 H new ATOM 0 HG LEU A 60 8.164 -2.729 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.149 -2.295 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.384 -4.034 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.157 -3.132 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.899 -0.634 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.937 -1.407 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.684 -1.156 1.619 1.00 0.00 H new ATOM 572 N ARG A 61 8.772 -5.985 3.088 1.00 0.00 N ATOM 573 CA ARG A 61 8.746 -7.143 3.976 1.00 0.00 C ATOM 574 C ARG A 61 9.726 -6.967 5.133 1.00 0.00 C ATOM 575 O ARG A 61 9.548 -7.556 6.200 1.00 0.00 O ATOM 576 CB ARG A 61 9.087 -8.415 3.195 1.00 0.00 C ATOM 577 CG ARG A 61 8.932 -9.690 4.009 1.00 0.00 C ATOM 578 CD ARG A 61 9.161 -10.927 3.156 1.00 0.00 C ATOM 579 NE ARG A 61 8.971 -12.160 3.916 1.00 0.00 N ATOM 580 CZ ARG A 61 8.687 -13.333 3.359 1.00 0.00 C ATOM 581 NH1 ARG A 61 8.551 -13.433 2.043 1.00 0.00 N ATOM 582 NH2 ARG A 61 8.537 -14.411 4.118 1.00 0.00 N ATOM 0 H ARG A 61 9.259 -6.142 2.206 1.00 0.00 H new ATOM 0 HA ARG A 61 7.740 -7.232 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.445 -8.475 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.114 -8.346 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.640 -9.682 4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.933 -9.726 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.476 -10.915 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.172 -10.904 2.749 1.00 0.00 H new ATOM 0 HE ARG A 61 9.061 -12.118 4.931 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.664 -12.608 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.333 -14.335 1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.640 -14.340 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.319 -15.310 3.689 1.00 0.00 H new ATOM 596 N GLU A 62 10.759 -6.156 4.916 1.00 0.00 N ATOM 597 CA GLU A 62 11.763 -5.905 5.946 1.00 0.00 C ATOM 598 C GLU A 62 11.105 -5.385 7.218 1.00 0.00 C ATOM 599 O GLU A 62 11.360 -5.890 8.312 1.00 0.00 O ATOM 600 CB GLU A 62 12.805 -4.903 5.445 1.00 0.00 C ATOM 601 CG GLU A 62 13.911 -4.623 6.451 1.00 0.00 C ATOM 602 CD GLU A 62 14.940 -3.639 5.927 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.725 -2.419 6.079 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.960 -4.091 5.365 1.00 0.00 O ATOM 0 H GLU A 62 10.922 -5.663 4.038 1.00 0.00 H new ATOM 0 HA GLU A 62 12.264 -6.846 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.249 -5.283 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.306 -3.967 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.472 -4.230 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.407 -5.558 6.710 1.00 0.00 H new ATOM 611 N ASN A 63 10.259 -4.373 7.066 1.00 0.00 N ATOM 612 CA ASN A 63 9.555 -3.789 8.200 1.00 0.00 C ATOM 613 C ASN A 63 8.100 -4.244 8.212 1.00 0.00 C ATOM 614 O ASN A 63 7.240 -3.618 7.590 1.00 0.00 O ATOM 615 CB ASN A 63 9.626 -2.261 8.150 1.00 0.00 C ATOM 616 CG ASN A 63 11.050 -1.748 8.045 1.00 0.00 C ATOM 617 OD1 ASN A 63 11.987 -2.381 8.530 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.216 -0.594 7.410 1.00 0.00 N ATOM 0 H ASN A 63 10.044 -3.940 6.168 1.00 0.00 H new ATOM 0 HA ASN A 63 10.039 -4.130 9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.050 -1.902 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.160 -1.849 9.045 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.150 -0.198 7.308 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.409 -0.104 7.024 1.00 0.00 H new ATOM 625 N ASP A 64 7.835 -5.346 8.907 1.00 0.00 N ATOM 626 CA ASP A 64 6.484 -5.888 9.002 1.00 0.00 C ATOM 627 C ASP A 64 5.496 -4.825 9.474 1.00 0.00 C ATOM 628 O ASP A 64 5.512 -4.418 10.636 1.00 0.00 O ATOM 629 CB ASP A 64 6.458 -7.089 9.952 1.00 0.00 C ATOM 630 CG ASP A 64 7.018 -6.759 11.321 1.00 0.00 C ATOM 631 OD1 ASP A 64 8.259 -6.767 11.472 1.00 0.00 O ATOM 632 OD2 ASP A 64 6.219 -6.496 12.244 1.00 0.00 O ATOM 0 H ASP A 64 8.540 -5.882 9.414 1.00 0.00 H new ATOM 0 HA ASP A 64 6.183 -6.215 8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.432 -7.442 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.033 -7.906 9.515 1.00 0.00 H new ATOM 637 N ILE A 65 4.639 -4.378 8.560 1.00 0.00 N ATOM 638 CA ILE A 65 3.640 -3.364 8.873 1.00 0.00 C ATOM 639 C ILE A 65 2.279 -3.744 8.294 1.00 0.00 C ATOM 640 O ILE A 65 2.192 -4.283 7.192 1.00 0.00 O ATOM 641 CB ILE A 65 4.056 -1.979 8.330 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.353 -1.506 8.995 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.944 -0.961 8.540 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.241 -1.308 10.493 1.00 0.00 C ATOM 0 H ILE A 65 4.618 -4.704 7.594 1.00 0.00 H new ATOM 0 HA ILE A 65 3.567 -3.309 9.959 1.00 0.00 H new ATOM 0 HB ILE A 65 4.234 -2.073 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.139 -2.233 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.663 -0.567 8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.259 0.007 8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.047 -1.289 8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.729 -0.871 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.200 -0.973 10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.479 -0.558 10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.963 -2.251 10.965 1.00 0.00 H new ATOM 656 N VAL A 66 1.221 -3.457 9.047 1.00 0.00 N ATOM 657 CA VAL A 66 -0.135 -3.770 8.613 1.00 0.00 C ATOM 658 C VAL A 66 -0.761 -2.585 7.880 1.00 0.00 C ATOM 659 O VAL A 66 -0.274 -1.458 7.974 1.00 0.00 O ATOM 660 CB VAL A 66 -1.024 -4.163 9.812 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.245 -2.973 10.733 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.352 -4.738 9.341 1.00 0.00 C ATOM 0 H VAL A 66 1.278 -3.008 9.961 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.071 -4.616 7.929 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.505 -4.937 10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.874 -3.273 11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.284 -2.620 11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.735 -2.171 10.180 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.959 -5.007 10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.879 -3.994 8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.170 -5.626 8.736 1.00 0.00 H new ATOM 672 N GLY A 67 -1.839 -2.850 7.150 1.00 0.00 N ATOM 673 CA GLY A 67 -2.516 -1.802 6.407 1.00 0.00 C ATOM 674 C GLY A 67 -3.097 -0.726 7.305 1.00 0.00 C ATOM 675 O GLY A 67 -3.377 0.384 6.852 1.00 0.00 O ATOM 0 H GLY A 67 -2.258 -3.776 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.814 -1.346 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.316 -2.243 5.812 1.00 0.00 H new ATOM 679 N ASP A 68 -3.279 -1.055 8.580 1.00 0.00 N ATOM 680 CA ASP A 68 -3.834 -0.110 9.544 1.00 0.00 C ATOM 681 C ASP A 68 -2.793 0.926 9.961 1.00 0.00 C ATOM 682 O ASP A 68 -3.108 1.897 10.648 1.00 0.00 O ATOM 683 CB ASP A 68 -4.345 -0.857 10.778 1.00 0.00 C ATOM 684 CG ASP A 68 -5.038 0.062 11.765 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.253 0.299 11.603 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.365 0.544 12.701 1.00 0.00 O ATOM 0 H ASP A 68 -3.050 -1.969 8.970 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.664 0.411 9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.038 -1.638 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.509 -1.352 11.272 1.00 0.00 H new ATOM 691 N LEU A 69 -1.551 0.711 9.538 1.00 0.00 N ATOM 692 CA LEU A 69 -0.457 1.618 9.870 1.00 0.00 C ATOM 693 C LEU A 69 -0.061 2.470 8.669 1.00 0.00 C ATOM 694 O LEU A 69 0.607 3.494 8.817 1.00 0.00 O ATOM 695 CB LEU A 69 0.751 0.816 10.359 1.00 0.00 C ATOM 696 CG LEU A 69 0.783 0.496 11.858 1.00 0.00 C ATOM 697 CD1 LEU A 69 -0.588 0.075 12.365 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.808 -0.593 12.133 1.00 0.00 C ATOM 0 H LEU A 69 -1.276 -0.086 8.963 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.798 2.286 10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.787 -0.123 9.806 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.656 1.369 10.106 1.00 0.00 H new ATOM 0 HG LEU A 69 1.069 1.401 12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.530 -0.145 13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.301 0.883 12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.917 -0.815 11.829 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.825 -0.815 13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.540 -1.493 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.794 -0.253 11.817 1.00 0.00 H new ATOM 710 N LEU A 70 -0.475 2.042 7.479 1.00 0.00 N ATOM 711 CA LEU A 70 -0.159 2.764 6.250 1.00 0.00 C ATOM 712 C LEU A 70 -0.577 4.236 6.331 1.00 0.00 C ATOM 713 O LEU A 70 0.223 5.121 6.029 1.00 0.00 O ATOM 714 CB LEU A 70 -0.826 2.092 5.045 1.00 0.00 C ATOM 715 CG LEU A 70 -0.323 0.683 4.723 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.172 0.054 3.628 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.140 0.720 4.303 1.00 0.00 C ATOM 0 H LEU A 70 -1.031 1.198 7.340 1.00 0.00 H new ATOM 0 HA LEU A 70 0.923 2.732 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.900 2.045 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.676 2.723 4.169 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.408 0.074 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.801 -0.948 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.208 -0.007 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.115 0.665 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.480 -0.291 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.248 1.345 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.741 1.133 5.113 1.00 0.00 H new ATOM 729 N PRO A 71 -1.832 4.531 6.739 1.00 0.00 N ATOM 730 CA PRO A 71 -2.313 5.914 6.842 1.00 0.00 C ATOM 731 C PRO A 71 -1.705 6.657 8.027 1.00 0.00 C ATOM 732 O PRO A 71 -1.892 7.865 8.177 1.00 0.00 O ATOM 733 CB PRO A 71 -3.821 5.750 7.033 1.00 0.00 C ATOM 734 CG PRO A 71 -3.969 4.425 7.692 1.00 0.00 C ATOM 735 CD PRO A 71 -2.876 3.559 7.131 1.00 0.00 C ATOM 0 HA PRO A 71 -2.040 6.505 5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.232 6.549 7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.348 5.780 6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.878 4.515 8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.950 3.996 7.489 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.506 2.850 7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.223 2.977 6.277 1.00 0.00 H new ATOM 743 N GLU A 72 -0.977 5.928 8.866 1.00 0.00 N ATOM 744 CA GLU A 72 -0.345 6.520 10.041 1.00 0.00 C ATOM 745 C GLU A 72 1.103 6.902 9.751 1.00 0.00 C ATOM 746 O GLU A 72 1.667 7.776 10.408 1.00 0.00 O ATOM 747 CB GLU A 72 -0.401 5.547 11.220 1.00 0.00 C ATOM 748 CG GLU A 72 -1.815 5.177 11.635 1.00 0.00 C ATOM 749 CD GLU A 72 -1.849 4.325 12.889 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.730 3.088 12.770 1.00 0.00 O ATOM 751 OE2 GLU A 72 -1.994 4.896 13.990 1.00 0.00 O ATOM 0 H GLU A 72 -0.810 4.928 8.755 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.894 7.426 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.141 4.639 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.115 5.991 12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.391 6.087 11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.300 4.639 10.821 1.00 0.00 H new ATOM 758 N LEU A 73 1.699 6.242 8.763 1.00 0.00 N ATOM 759 CA LEU A 73 3.081 6.515 8.390 1.00 0.00 C ATOM 760 C LEU A 73 3.159 7.661 7.389 1.00 0.00 C ATOM 761 O LEU A 73 2.314 7.784 6.501 1.00 0.00 O ATOM 762 CB LEU A 73 3.731 5.261 7.798 1.00 0.00 C ATOM 763 CG LEU A 73 3.796 4.056 8.740 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.307 2.830 7.999 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.681 4.361 9.939 1.00 0.00 C ATOM 0 H LEU A 73 1.247 5.516 8.208 1.00 0.00 H new ATOM 0 HA LEU A 73 3.622 6.805 9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.180 4.973 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.744 5.510 7.482 1.00 0.00 H new ATOM 0 HG LEU A 73 2.789 3.847 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.347 1.982 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.635 2.598 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.305 3.030 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.715 3.492 10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.689 4.596 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.275 5.213 10.484 1.00 0.00 H new ATOM 777 N CYS A 74 4.180 8.499 7.538 1.00 0.00 N ATOM 778 CA CYS A 74 4.374 9.638 6.647 1.00 0.00 C ATOM 779 C CYS A 74 5.265 9.256 5.471 1.00 0.00 C ATOM 780 O CYS A 74 5.671 8.101 5.338 1.00 0.00 O ATOM 781 CB CYS A 74 4.989 10.811 7.412 1.00 0.00 C ATOM 782 SG CYS A 74 3.961 11.426 8.765 1.00 0.00 S ATOM 0 H CYS A 74 4.887 8.411 8.268 1.00 0.00 H new ATOM 0 HA CYS A 74 3.401 9.939 6.260 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.954 10.503 7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.179 11.627 6.714 1.00 0.00 H new ATOM 0 HG CYS A 74 4.565 12.415 9.354 1.00 0.00 H new ATOM 788 N LEU A 75 5.568 10.231 4.618 1.00 0.00 N ATOM 789 CA LEU A 75 6.410 9.992 3.452 1.00 0.00 C ATOM 790 C LEU A 75 7.800 9.514 3.865 1.00 0.00 C ATOM 791 O LEU A 75 8.529 8.935 3.061 1.00 0.00 O ATOM 792 CB LEU A 75 6.519 11.259 2.599 1.00 0.00 C ATOM 793 CG LEU A 75 5.253 11.625 1.819 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.412 12.979 1.147 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.934 10.555 0.784 1.00 0.00 C ATOM 0 H LEU A 75 5.243 11.193 4.713 1.00 0.00 H new ATOM 0 HA LEU A 75 5.942 9.207 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.782 12.094 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.339 11.134 1.892 1.00 0.00 H new ATOM 0 HG LEU A 75 4.423 11.684 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.502 13.222 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.593 13.742 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.255 12.946 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.031 10.833 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.766 10.465 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.776 9.600 1.285 1.00 0.00 H new ATOM 807 N GLN A 76 8.163 9.763 5.120 1.00 0.00 N ATOM 808 CA GLN A 76 9.464 9.346 5.633 1.00 0.00 C ATOM 809 C GLN A 76 9.570 7.826 5.645 1.00 0.00 C ATOM 810 O GLN A 76 10.477 7.251 5.041 1.00 0.00 O ATOM 811 CB GLN A 76 9.688 9.895 7.044 1.00 0.00 C ATOM 812 CG GLN A 76 9.713 11.414 7.109 1.00 0.00 C ATOM 813 CD GLN A 76 10.790 12.021 6.229 1.00 0.00 C ATOM 814 OE1 GLN A 76 10.634 13.129 5.714 1.00 0.00 O ATOM 815 NE2 GLN A 76 11.892 11.301 6.054 1.00 0.00 N ATOM 0 H GLN A 76 7.577 10.250 5.798 1.00 0.00 H new ATOM 0 HA GLN A 76 10.234 9.748 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.899 9.525 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.631 9.508 7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.741 11.802 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.874 11.727 8.141 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.980 10.388 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.650 11.661 5.475 1.00 0.00 H new ATOM 824 N ASP A 77 8.638 7.179 6.337 1.00 0.00 N ATOM 825 CA ASP A 77 8.621 5.724 6.422 1.00 0.00 C ATOM 826 C ASP A 77 8.323 5.116 5.056 1.00 0.00 C ATOM 827 O ASP A 77 8.737 3.994 4.759 1.00 0.00 O ATOM 828 CB ASP A 77 7.581 5.262 7.442 1.00 0.00 C ATOM 829 CG ASP A 77 7.850 5.811 8.830 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.582 5.152 9.597 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.330 6.900 9.149 1.00 0.00 O ATOM 0 H ASP A 77 7.885 7.640 6.847 1.00 0.00 H new ATOM 0 HA ASP A 77 9.604 5.386 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.590 5.577 7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.572 4.173 7.480 1.00 0.00 H new ATOM 836 N CYS A 78 7.603 5.867 4.229 1.00 0.00 N ATOM 837 CA CYS A 78 7.251 5.413 2.888 1.00 0.00 C ATOM 838 C CYS A 78 8.499 5.287 2.022 1.00 0.00 C ATOM 839 O CYS A 78 8.664 4.310 1.292 1.00 0.00 O ATOM 840 CB CYS A 78 6.260 6.385 2.243 1.00 0.00 C ATOM 841 SG CYS A 78 4.642 6.430 3.048 1.00 0.00 S ATOM 0 H CYS A 78 7.251 6.795 4.465 1.00 0.00 H new ATOM 0 HA CYS A 78 6.782 4.432 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.689 7.387 2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.126 6.110 1.197 1.00 0.00 H new ATOM 0 HG CYS A 78 4.724 7.118 4.148 1.00 0.00 H new ATOM 847 N GLN A 79 9.376 6.283 2.113 1.00 0.00 N ATOM 848 CA GLN A 79 10.614 6.280 1.344 1.00 0.00 C ATOM 849 C GLN A 79 11.508 5.130 1.791 1.00 0.00 C ATOM 850 O GLN A 79 12.163 4.483 0.973 1.00 0.00 O ATOM 851 CB GLN A 79 11.347 7.613 1.506 1.00 0.00 C ATOM 852 CG GLN A 79 12.516 7.782 0.549 1.00 0.00 C ATOM 853 CD GLN A 79 13.166 9.147 0.663 1.00 0.00 C ATOM 854 OE1 GLN A 79 14.095 9.342 1.447 1.00 0.00 O ATOM 855 NE2 GLN A 79 12.679 10.099 -0.123 1.00 0.00 N ATOM 0 H GLN A 79 9.252 7.100 2.711 1.00 0.00 H new ATOM 0 HA GLN A 79 10.368 6.145 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.640 8.428 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.711 7.696 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.260 7.011 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.169 7.632 -0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.908 9.892 -0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.076 11.038 -0.093 1.00 0.00 H new ATOM 864 N ASP A 80 11.531 4.885 3.097 1.00 0.00 N ATOM 865 CA ASP A 80 12.330 3.803 3.660 1.00 0.00 C ATOM 866 C ASP A 80 11.832 2.461 3.143 1.00 0.00 C ATOM 867 O ASP A 80 12.604 1.518 2.969 1.00 0.00 O ATOM 868 CB ASP A 80 12.256 3.828 5.188 1.00 0.00 C ATOM 869 CG ASP A 80 13.134 2.771 5.828 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.322 3.064 6.087 1.00 0.00 O ATOM 871 OD2 ASP A 80 12.637 1.651 6.068 1.00 0.00 O ATOM 0 H ASP A 80 11.005 5.422 3.786 1.00 0.00 H new ATOM 0 HA ASP A 80 13.367 3.942 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.557 4.812 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.223 3.676 5.501 1.00 0.00 H new ATOM 876 N LEU A 81 10.529 2.392 2.898 1.00 0.00 N ATOM 877 CA LEU A 81 9.895 1.181 2.397 1.00 0.00 C ATOM 878 C LEU A 81 10.223 0.960 0.924 1.00 0.00 C ATOM 879 O LEU A 81 9.985 -0.119 0.379 1.00 0.00 O ATOM 880 CB LEU A 81 8.379 1.274 2.599 1.00 0.00 C ATOM 881 CG LEU A 81 7.825 0.514 3.810 1.00 0.00 C ATOM 882 CD1 LEU A 81 8.743 0.661 5.017 1.00 0.00 C ATOM 883 CD2 LEU A 81 6.429 1.014 4.149 1.00 0.00 C ATOM 0 H LEU A 81 9.886 3.171 3.041 1.00 0.00 H new ATOM 0 HA LEU A 81 10.281 0.328 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.107 2.325 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.887 0.900 1.701 1.00 0.00 H new ATOM 0 HG LEU A 81 7.772 -0.544 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.325 0.112 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.728 0.261 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.833 1.715 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.046 0.467 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.470 2.078 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.769 0.856 3.296 1.00 0.00 H new ATOM 895 N CYS A 82 10.766 1.991 0.285 1.00 0.00 N ATOM 896 CA CYS A 82 11.133 1.911 -1.124 1.00 0.00 C ATOM 897 C CYS A 82 12.641 1.737 -1.277 1.00 0.00 C ATOM 898 O CYS A 82 13.368 1.654 -0.287 1.00 0.00 O ATOM 899 CB CYS A 82 10.671 3.167 -1.865 1.00 0.00 C ATOM 900 SG CYS A 82 8.891 3.469 -1.768 1.00 0.00 S ATOM 0 H CYS A 82 10.962 2.892 0.721 1.00 0.00 H new ATOM 0 HA CYS A 82 10.638 1.043 -1.559 1.00 0.00 H new ATOM 0 HB2 CYS A 82 11.198 4.030 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 82 10.958 3.084 -2.913 1.00 0.00 H new ATOM 0 HG CYS A 82 8.578 3.833 -0.560 1.00 0.00 H new ATOM 906 N ASP A 83 13.106 1.680 -2.521 1.00 0.00 N ATOM 907 CA ASP A 83 14.529 1.514 -2.797 1.00 0.00 C ATOM 908 C ASP A 83 15.326 2.712 -2.294 1.00 0.00 C ATOM 909 O ASP A 83 16.521 2.605 -2.020 1.00 0.00 O ATOM 910 CB ASP A 83 14.764 1.328 -4.298 1.00 0.00 C ATOM 911 CG ASP A 83 16.229 1.128 -4.633 1.00 0.00 C ATOM 912 OD1 ASP A 83 16.931 2.136 -4.859 1.00 0.00 O ATOM 913 OD2 ASP A 83 16.676 -0.038 -4.669 1.00 0.00 O ATOM 0 H ASP A 83 12.519 1.746 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 83 14.871 0.624 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 83 14.193 0.468 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.388 2.200 -4.833 1.00 0.00 H new ATOM 918 N GLY A 84 14.653 3.853 -2.170 1.00 0.00 N ATOM 919 CA GLY A 84 15.312 5.057 -1.701 1.00 0.00 C ATOM 920 C GLY A 84 14.969 6.269 -2.542 1.00 0.00 C ATOM 921 O GLY A 84 15.531 7.347 -2.349 1.00 0.00 O ATOM 0 H GLY A 84 13.662 3.964 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.027 5.244 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.391 4.905 -1.712 1.00 0.00 H new ATOM 925 N ASP A 85 14.044 6.090 -3.479 1.00 0.00 N ATOM 926 CA ASP A 85 13.624 7.177 -4.355 1.00 0.00 C ATOM 927 C ASP A 85 12.399 7.887 -3.788 1.00 0.00 C ATOM 928 O ASP A 85 11.533 7.258 -3.178 1.00 0.00 O ATOM 929 CB ASP A 85 13.319 6.640 -5.754 1.00 0.00 C ATOM 930 CG ASP A 85 12.909 7.736 -6.717 1.00 0.00 C ATOM 931 OD1 ASP A 85 13.803 8.440 -7.231 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.693 7.889 -6.959 1.00 0.00 O ATOM 0 H ASP A 85 13.571 5.203 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 85 14.439 7.897 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.199 6.128 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.522 5.899 -5.690 1.00 0.00 H new ATOM 937 N LEU A 86 12.332 9.198 -3.993 1.00 0.00 N ATOM 938 CA LEU A 86 11.214 9.993 -3.498 1.00 0.00 C ATOM 939 C LEU A 86 9.943 9.708 -4.292 1.00 0.00 C ATOM 940 O LEU A 86 8.932 9.291 -3.727 1.00 0.00 O ATOM 941 CB LEU A 86 11.545 11.485 -3.568 1.00 0.00 C ATOM 942 CG LEU A 86 10.506 12.410 -2.930 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.495 12.240 -1.419 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.782 13.857 -3.304 1.00 0.00 C ATOM 0 H LEU A 86 13.039 9.733 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 86 11.042 9.714 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.506 11.652 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.666 11.766 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 86 9.522 12.138 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.750 12.906 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.248 11.208 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.479 12.484 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.034 14.501 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.773 14.141 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.737 13.968 -4.387 1.00 0.00 H new ATOM 956 N ASN A 87 10.006 9.937 -5.603 1.00 0.00 N ATOM 957 CA ASN A 87 8.863 9.714 -6.488 1.00 0.00 C ATOM 958 C ASN A 87 8.170 8.391 -6.184 1.00 0.00 C ATOM 959 O ASN A 87 6.941 8.299 -6.207 1.00 0.00 O ATOM 960 CB ASN A 87 9.317 9.732 -7.948 1.00 0.00 C ATOM 961 CG ASN A 87 9.795 11.101 -8.395 1.00 0.00 C ATOM 962 OD1 ASN A 87 10.675 11.214 -9.249 1.00 0.00 O ATOM 963 ND2 ASN A 87 9.216 12.151 -7.822 1.00 0.00 N ATOM 0 H ASN A 87 10.841 10.279 -6.078 1.00 0.00 H new ATOM 0 HA ASN A 87 8.149 10.520 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.121 9.009 -8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.492 9.414 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.497 13.095 -8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.491 12.013 -7.118 1.00 0.00 H new ATOM 970 N LYS A 88 8.965 7.367 -5.903 1.00 0.00 N ATOM 971 CA LYS A 88 8.436 6.046 -5.593 1.00 0.00 C ATOM 972 C LYS A 88 7.494 6.111 -4.392 1.00 0.00 C ATOM 973 O LYS A 88 6.407 5.529 -4.409 1.00 0.00 O ATOM 974 CB LYS A 88 9.588 5.081 -5.310 1.00 0.00 C ATOM 975 CG LYS A 88 9.167 3.624 -5.209 1.00 0.00 C ATOM 976 CD LYS A 88 8.701 3.081 -6.551 1.00 0.00 C ATOM 977 CE LYS A 88 8.816 1.566 -6.611 1.00 0.00 C ATOM 978 NZ LYS A 88 10.230 1.113 -6.495 1.00 0.00 N ATOM 0 H LYS A 88 9.983 7.427 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 88 7.870 5.685 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.332 5.179 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.072 5.374 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.004 3.027 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.364 3.527 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.666 3.375 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.296 3.524 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.226 1.125 -5.808 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.395 1.207 -7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.338 0.189 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.855 1.806 -6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.486 1.027 -5.491 1.00 0.00 H new ATOM 992 N ALA A 89 7.917 6.826 -3.354 1.00 0.00 N ATOM 993 CA ALA A 89 7.110 6.972 -2.149 1.00 0.00 C ATOM 994 C ALA A 89 5.805 7.701 -2.449 1.00 0.00 C ATOM 995 O ALA A 89 4.768 7.393 -1.866 1.00 0.00 O ATOM 996 CB ALA A 89 7.891 7.703 -1.067 1.00 0.00 C ATOM 0 H ALA A 89 8.813 7.313 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 89 6.865 5.974 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.272 7.802 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.791 7.138 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.171 8.693 -1.426 1.00 0.00 H new ATOM 1002 N ILE A 90 5.862 8.677 -3.352 1.00 0.00 N ATOM 1003 CA ILE A 90 4.679 9.432 -3.733 1.00 0.00 C ATOM 1004 C ILE A 90 3.571 8.495 -4.203 1.00 0.00 C ATOM 1005 O ILE A 90 2.461 8.521 -3.675 1.00 0.00 O ATOM 1006 CB ILE A 90 5.021 10.446 -4.843 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.710 11.685 -4.262 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.775 10.851 -5.619 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.666 11.402 -3.125 1.00 0.00 C ATOM 0 H ILE A 90 6.716 8.961 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 90 4.326 9.976 -2.857 1.00 0.00 H new ATOM 0 HB ILE A 90 5.711 9.959 -5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.255 12.189 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.945 12.378 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.046 11.567 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.330 9.969 -6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.056 11.308 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.106 12.337 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.126 10.929 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.456 10.736 -3.471 1.00 0.00 H new ATOM 1021 N LYS A 91 3.883 7.664 -5.196 1.00 0.00 N ATOM 1022 CA LYS A 91 2.914 6.711 -5.725 1.00 0.00 C ATOM 1023 C LYS A 91 2.397 5.806 -4.613 1.00 0.00 C ATOM 1024 O LYS A 91 1.237 5.397 -4.614 1.00 0.00 O ATOM 1025 CB LYS A 91 3.546 5.865 -6.833 1.00 0.00 C ATOM 1026 CG LYS A 91 3.984 6.671 -8.047 1.00 0.00 C ATOM 1027 CD LYS A 91 2.799 7.295 -8.769 1.00 0.00 C ATOM 1028 CE LYS A 91 1.922 6.238 -9.423 1.00 0.00 C ATOM 1029 NZ LYS A 91 2.678 5.421 -10.411 1.00 0.00 N ATOM 0 H LYS A 91 4.797 7.633 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 91 2.077 7.270 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.410 5.338 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.831 5.106 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.672 7.456 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.529 6.025 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.205 7.874 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.159 7.990 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.507 5.586 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.081 6.721 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.010 4.908 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.272 6.044 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.281 4.739 -9.908 1.00 0.00 H new ATOM 1043 N PHE A 92 3.278 5.503 -3.664 1.00 0.00 N ATOM 1044 CA PHE A 92 2.931 4.653 -2.528 1.00 0.00 C ATOM 1045 C PHE A 92 1.831 5.295 -1.689 1.00 0.00 C ATOM 1046 O PHE A 92 0.734 4.748 -1.561 1.00 0.00 O ATOM 1047 CB PHE A 92 4.183 4.405 -1.680 1.00 0.00 C ATOM 1048 CG PHE A 92 4.003 3.390 -0.588 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.653 2.083 -0.885 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.201 3.744 0.737 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.502 1.146 0.119 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.048 2.812 1.746 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.700 1.511 1.437 1.00 0.00 C ATOM 0 H PHE A 92 4.242 5.835 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 92 2.553 3.700 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.991 4.077 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.497 5.349 -1.234 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.496 1.793 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.478 4.758 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.230 0.130 -0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.200 3.100 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.583 0.781 2.224 1.00 0.00 H new ATOM 1063 N LYS A 93 2.128 6.463 -1.131 1.00 0.00 N ATOM 1064 CA LYS A 93 1.171 7.189 -0.303 1.00 0.00 C ATOM 1065 C LYS A 93 -0.101 7.513 -1.085 1.00 0.00 C ATOM 1066 O LYS A 93 -1.158 7.745 -0.498 1.00 0.00 O ATOM 1067 CB LYS A 93 1.810 8.476 0.225 1.00 0.00 C ATOM 1068 CG LYS A 93 0.849 9.378 0.983 1.00 0.00 C ATOM 1069 CD LYS A 93 1.547 10.626 1.498 1.00 0.00 C ATOM 1070 CE LYS A 93 0.550 11.658 1.997 1.00 0.00 C ATOM 1071 NZ LYS A 93 1.226 12.872 2.532 1.00 0.00 N ATOM 0 H LYS A 93 3.029 6.930 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 93 0.895 6.553 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.640 8.215 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.229 9.032 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.025 9.664 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.417 8.830 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.227 10.356 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.153 11.059 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.116 11.943 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.071 11.216 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.510 13.551 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.842 12.605 3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.798 13.310 1.782 1.00 0.00 H new ATOM 1085 N ILE A 94 0.003 7.526 -2.412 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.144 7.827 -3.262 1.00 0.00 C ATOM 1087 C ILE A 94 -2.161 6.691 -3.259 1.00 0.00 C ATOM 1088 O ILE A 94 -3.261 6.838 -2.727 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.714 8.119 -4.717 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.139 9.534 -4.827 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -1.893 7.943 -5.666 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.469 9.841 -6.179 1.00 0.00 C ATOM 0 H ILE A 94 0.866 7.332 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.609 8.720 -2.844 1.00 0.00 H new ATOM 0 HB ILE A 94 0.062 7.408 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.930 10.255 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.621 9.668 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.573 8.152 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.260 6.919 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.690 8.632 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.855 10.860 -6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.283 9.144 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.293 9.740 -6.952 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.792 5.561 -3.863 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.687 4.411 -3.942 1.00 0.00 C ATOM 1106 C LEU A 95 -3.269 4.081 -2.575 1.00 0.00 C ATOM 1107 O LEU A 95 -4.404 3.611 -2.467 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.948 3.191 -4.502 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.295 3.390 -5.874 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.649 2.097 -6.349 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.316 3.879 -6.893 1.00 0.00 C ATOM 0 H LEU A 95 -0.883 5.420 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.505 4.669 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.176 2.897 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.651 2.361 -4.570 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.520 4.150 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.190 2.257 -7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.115 1.788 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.408 1.319 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.830 4.013 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.116 3.145 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.734 4.830 -6.562 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.492 4.341 -1.532 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.931 4.067 -0.175 1.00 0.00 C ATOM 1125 C ILE A 96 -3.917 5.123 0.317 1.00 0.00 C ATOM 1126 O ILE A 96 -4.874 4.806 1.024 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.732 3.984 0.788 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.771 2.886 0.328 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.205 3.722 2.211 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.621 3.015 0.906 1.00 0.00 C ATOM 0 H ILE A 96 -1.556 4.741 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.438 3.102 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.206 4.938 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.182 1.916 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.706 2.904 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.343 3.667 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.860 4.532 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.751 2.779 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.246 2.202 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.052 3.970 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.569 2.966 1.994 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.681 6.375 -0.059 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.559 7.468 0.344 1.00 0.00 C ATOM 1144 C ASN A 97 -5.957 7.264 -0.229 1.00 0.00 C ATOM 1145 O ASN A 97 -6.955 7.394 0.479 1.00 0.00 O ATOM 1146 CB ASN A 97 -3.995 8.811 -0.121 1.00 0.00 C ATOM 1147 CG ASN A 97 -4.874 9.983 0.273 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -4.952 10.981 -0.442 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.541 9.869 1.417 1.00 0.00 N ATOM 0 H ASN A 97 -2.892 6.658 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.620 7.473 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.000 8.949 0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.880 8.797 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.146 10.627 1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.448 9.023 1.980 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.016 6.943 -1.518 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.288 6.713 -2.192 1.00 0.00 C ATOM 1158 C LYS A 98 -8.011 5.515 -1.588 1.00 0.00 C ATOM 1159 O LYS A 98 -9.233 5.530 -1.433 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.067 6.490 -3.692 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.848 7.772 -4.480 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.536 8.447 -4.111 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.316 9.716 -4.918 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.263 9.441 -6.381 1.00 0.00 N ATOM 0 H LYS A 98 -5.197 6.836 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.909 7.598 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.204 5.839 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.930 5.966 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.854 7.548 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.674 8.458 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.535 8.686 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.710 7.757 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.120 10.422 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.386 10.190 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.881 10.272 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.650 8.620 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.221 9.239 -6.731 1.00 0.00 H new ATOM 1178 N MET A 99 -7.250 4.478 -1.247 1.00 0.00 N ATOM 1179 CA MET A 99 -7.823 3.275 -0.655 1.00 0.00 C ATOM 1180 C MET A 99 -8.497 3.590 0.678 1.00 0.00 C ATOM 1181 O MET A 99 -9.522 3.000 1.019 1.00 0.00 O ATOM 1182 CB MET A 99 -6.743 2.210 -0.458 1.00 0.00 C ATOM 1183 CG MET A 99 -7.268 0.920 0.154 1.00 0.00 C ATOM 1184 SD MET A 99 -8.616 0.194 -0.799 1.00 0.00 S ATOM 1185 CE MET A 99 -7.795 -0.126 -2.357 1.00 0.00 C ATOM 0 H MET A 99 -6.238 4.448 -1.371 1.00 0.00 H new ATOM 0 HA MET A 99 -8.579 2.890 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.285 1.986 -1.421 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.958 2.614 0.182 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.453 0.200 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.612 1.118 1.169 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.462 -0.688 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.533 0.820 -2.831 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.889 -0.705 -2.179 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.917 4.524 1.429 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.470 4.912 2.724 1.00 0.00 C ATOM 1197 C ARG A 100 -9.806 5.622 2.550 1.00 0.00 C ATOM 1198 O ARG A 100 -10.807 5.242 3.157 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.494 5.821 3.477 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.942 6.145 4.893 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.026 7.164 5.551 1.00 0.00 C ATOM 1202 NE ARG A 100 -7.099 8.470 4.901 1.00 0.00 N ATOM 1203 CZ ARG A 100 -6.391 9.528 5.286 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -5.549 9.432 6.306 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -6.521 10.683 4.646 1.00 0.00 N ATOM 0 H ARG A 100 -7.068 5.024 1.164 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.628 4.004 3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.516 5.341 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.372 6.750 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.961 6.531 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.958 5.232 5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.295 7.267 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.999 6.801 5.519 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.729 8.577 4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.443 8.545 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.008 10.245 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.164 10.760 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.978 11.494 4.942 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.815 6.658 1.715 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.028 7.425 1.458 1.00 0.00 C ATOM 1221 C ASP A 101 -12.098 6.550 0.816 1.00 0.00 C ATOM 1222 O ASP A 101 -13.288 6.862 0.873 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.719 8.622 0.556 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.748 9.594 1.199 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -10.193 10.414 2.030 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -8.546 9.534 0.872 1.00 0.00 O ATOM 0 H ASP A 101 -8.994 6.985 1.205 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.408 7.789 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.302 8.266 -0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.646 9.143 0.318 1.00 0.00 H new ATOM 1231 N SER A 102 -11.667 5.452 0.203 1.00 0.00 N ATOM 1232 CA SER A 102 -12.587 4.526 -0.447 1.00 0.00 C ATOM 1233 C SER A 102 -13.483 3.848 0.584 1.00 0.00 C ATOM 1234 O SER A 102 -13.400 4.141 1.777 1.00 0.00 O ATOM 1235 CB SER A 102 -11.808 3.475 -1.242 1.00 0.00 C ATOM 1236 OG SER A 102 -12.678 2.658 -2.004 1.00 0.00 O ATOM 0 H SER A 102 -10.685 5.182 0.143 1.00 0.00 H new ATOM 0 HA SER A 102 -13.217 5.092 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.097 3.970 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.228 2.855 -0.558 1.00 0.00 H new ATOM 0 HG SER A 102 -13.354 3.218 -2.440 1.00 0.00 H new ATOM 1242 N LYS A 103 -14.338 2.942 0.117 1.00 0.00 N ATOM 1243 CA LYS A 103 -15.247 2.220 0.997 1.00 0.00 C ATOM 1244 C LYS A 103 -16.186 3.177 1.726 1.00 0.00 C ATOM 1245 O LYS A 103 -15.923 3.577 2.860 1.00 0.00 O ATOM 1246 CB LYS A 103 -14.458 1.392 2.011 1.00 0.00 C ATOM 1247 CG LYS A 103 -13.607 0.300 1.384 1.00 0.00 C ATOM 1248 CD LYS A 103 -12.723 -0.384 2.418 1.00 0.00 C ATOM 1249 CE LYS A 103 -13.546 -1.123 3.463 1.00 0.00 C ATOM 1250 NZ LYS A 103 -12.690 -1.704 4.533 1.00 0.00 N ATOM 0 H LYS A 103 -14.419 2.691 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 103 -15.850 1.553 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.813 2.057 2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -15.155 0.937 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.253 -0.439 0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.985 0.729 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.055 -1.086 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -12.095 0.360 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.268 -0.438 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.115 -1.918 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.960 -2.695 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.693 -1.660 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.818 -1.163 5.412 1.00 0.00 H new ATOM 1264 N LEU A 104 -17.277 3.547 1.063 1.00 0.00 N ATOM 1265 CA LEU A 104 -18.260 4.451 1.650 1.00 0.00 C ATOM 1266 C LEU A 104 -19.484 3.674 2.120 1.00 0.00 C ATOM 1267 O LEU A 104 -19.709 3.519 3.321 1.00 0.00 O ATOM 1268 CB LEU A 104 -18.681 5.524 0.641 1.00 0.00 C ATOM 1269 CG LEU A 104 -17.630 6.599 0.343 1.00 0.00 C ATOM 1270 CD1 LEU A 104 -16.464 6.013 -0.437 1.00 0.00 C ATOM 1271 CD2 LEU A 104 -18.257 7.755 -0.421 1.00 0.00 C ATOM 0 H LEU A 104 -17.503 3.235 0.119 1.00 0.00 H new ATOM 0 HA LEU A 104 -17.799 4.940 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -18.948 5.033 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -19.581 6.014 1.012 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.248 6.976 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -15.731 6.794 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -15.998 5.219 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -16.826 5.605 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -17.498 8.510 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -18.667 7.389 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -19.056 8.195 0.176 1.00 0.00 H new ATOM 1283 N GLU A 105 -20.267 3.187 1.162 1.00 0.00 N ATOM 1284 CA GLU A 105 -21.469 2.419 1.467 1.00 0.00 C ATOM 1285 C GLU A 105 -22.086 1.853 0.192 1.00 0.00 C ATOM 1286 O GLU A 105 -22.938 2.486 -0.432 1.00 0.00 O ATOM 1287 CB GLU A 105 -22.490 3.289 2.204 1.00 0.00 C ATOM 1288 CG GLU A 105 -23.731 2.530 2.645 1.00 0.00 C ATOM 1289 CD GLU A 105 -24.687 3.391 3.447 1.00 0.00 C ATOM 1290 OE1 GLU A 105 -25.565 4.034 2.835 1.00 0.00 O ATOM 1291 OE2 GLU A 105 -24.558 3.420 4.690 1.00 0.00 O ATOM 0 H GLU A 105 -20.090 3.311 0.165 1.00 0.00 H new ATOM 0 HA GLU A 105 -21.185 1.589 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -22.014 3.730 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -22.789 4.112 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -24.247 2.143 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -23.432 1.670 3.244 1.00 0.00 H new ATOM 1298 N TRP A 106 -21.642 0.660 -0.192 1.00 0.00 N ATOM 1299 CA TRP A 106 -22.147 0.004 -1.393 1.00 0.00 C ATOM 1300 C TRP A 106 -22.572 -1.429 -1.086 1.00 0.00 C ATOM 1301 O TRP A 106 -22.771 -2.237 -1.993 1.00 0.00 O ATOM 1302 CB TRP A 106 -21.081 0.008 -2.492 1.00 0.00 C ATOM 1303 CG TRP A 106 -20.661 1.384 -2.917 1.00 0.00 C ATOM 1304 CD1 TRP A 106 -21.479 2.440 -3.204 1.00 0.00 C ATOM 1305 CD2 TRP A 106 -19.320 1.850 -3.112 1.00 0.00 C ATOM 1306 NE1 TRP A 106 -20.727 3.534 -3.562 1.00 0.00 N ATOM 1307 CE2 TRP A 106 -19.400 3.197 -3.513 1.00 0.00 C ATOM 1308 CE3 TRP A 106 -18.061 1.258 -2.984 1.00 0.00 C ATOM 1309 CZ2 TRP A 106 -18.268 3.960 -3.788 1.00 0.00 C ATOM 1310 CZ3 TRP A 106 -16.938 2.018 -3.258 1.00 0.00 C ATOM 1311 CH2 TRP A 106 -17.048 3.356 -3.654 1.00 0.00 C ATOM 0 H TRP A 106 -20.933 0.128 0.312 1.00 0.00 H new ATOM 0 HA TRP A 106 -23.018 0.559 -1.743 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -20.206 -0.537 -2.139 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -21.463 -0.530 -3.359 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -22.558 2.419 -3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -21.097 4.448 -3.822 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -17.966 0.227 -2.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -18.350 4.992 -4.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -15.959 1.571 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.152 3.923 -3.858 1.00 0.00 H new ATOM 1322 N LYS A 107 -22.711 -1.734 0.201 1.00 0.00 N ATOM 1323 CA LYS A 107 -23.112 -3.067 0.636 1.00 0.00 C ATOM 1324 C LYS A 107 -24.247 -2.987 1.652 1.00 0.00 C ATOM 1325 O LYS A 107 -24.013 -2.777 2.843 1.00 0.00 O ATOM 1326 CB LYS A 107 -21.916 -3.805 1.244 1.00 0.00 C ATOM 1327 CG LYS A 107 -22.196 -5.264 1.574 1.00 0.00 C ATOM 1328 CD LYS A 107 -22.462 -6.090 0.322 1.00 0.00 C ATOM 1329 CE LYS A 107 -21.192 -6.315 -0.488 1.00 0.00 C ATOM 1330 NZ LYS A 107 -20.852 -5.141 -1.339 1.00 0.00 N ATOM 0 H LYS A 107 -22.551 -1.074 0.962 1.00 0.00 H new ATOM 0 HA LYS A 107 -23.467 -3.618 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -21.078 -3.754 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -21.607 -3.290 2.153 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.346 -5.684 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -23.057 -5.327 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.888 -7.053 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -23.203 -5.584 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.363 -6.523 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -21.317 -7.195 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.673 -5.459 -2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.645 -4.468 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.001 -4.675 -0.964 1.00 0.00 H new ATOM 1344 N ASP A 108 -25.478 -3.151 1.175 1.00 0.00 N ATOM 1345 CA ASP A 108 -26.648 -3.096 2.045 1.00 0.00 C ATOM 1346 C ASP A 108 -27.673 -4.157 1.652 1.00 0.00 C ATOM 1347 O ASP A 108 -28.516 -3.874 0.774 1.00 0.00 O ATOM 1348 CB ASP A 108 -27.279 -1.702 1.996 1.00 0.00 C ATOM 1349 CG ASP A 108 -27.515 -1.218 0.578 1.00 0.00 C ATOM 1350 OD1 ASP A 108 -26.548 -0.752 -0.059 1.00 0.00 O ATOM 1351 OD2 ASP A 108 -28.669 -1.301 0.107 1.00 0.00 O ATOM 1352 OXT ASP A 108 -27.624 -5.265 2.229 1.00 0.00 O ATOM 0 H ASP A 108 -25.690 -3.323 0.192 1.00 0.00 H new ATOM 0 HA ASP A 108 -26.324 -3.301 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -28.227 -1.717 2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -26.631 -0.995 2.514 1.00 0.00 H new TER 1357 ASP A 108