USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 610 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 24 ASN : amide:sc= -7.07! C(o=-12!,f=-8.9!) USER MOD Set 1.2: A 26 HIS : no HE2:sc= -0.276 K(o=-12,f=-9.6) USER MOD Set 1.3: A 33 HIS : no HD1:sc= -0.793 K(o=-12,f=-12!) USER MOD Set 1.4: A 36 THR OG1 : rot 5:sc= -3.53! USER MOD Set 1.5: A 88 THR OG1 : rot 14:sc= 0.0108 USER MOD Set 1.6: A 98 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 93 SER OG : rot 180:sc= -0.0217 USER MOD Set 3.1: A 29 TYR OH : rot 180:sc= 0.993 USER MOD Set 3.2: A 51 LYS NZ :NH3+ 165:sc= 2.32 (180deg=0.655) USER MOD Set 4.1: A 23 CYS SG : rot -156:sc= 0.241 USER MOD Set 4.2: A 25 HIS : no HE2:sc= -1.97 X(o=0.13,f=0.42!) USER MOD Set 4.3: A 64 ASN : amide:sc= 0.65 K(o=0.13,f=-8.7!) USER MOD Set 4.4: A 70 CYS SG : rot 21:sc= 0.382 USER MOD Set 4.5: A 87 SER OG : rot -151:sc= 0.829 USER MOD Single : A 19 SER OG : rot 27:sc= 0.0509 USER MOD Single : A 22 GLN : amide:sc= -7.28! C(o=-7.3!,f=-3.3!) USER MOD Single : A 30 ASN : amide:sc= -0.404 K(o=-0.4,f=-3.6!) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 1.25 (180deg=-0.302) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0.376 (180deg=0.215) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 170:sc= 0.195 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.41) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.486 K(o=-0.49,f=-1) USER MOD Single : A 83 SER OG : rot 180:sc= -0.176 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 95 THR OG1 : rot -33:sc= 1.46 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.134 0.785 -1.758 1.00 0.00 N ATOM 2 CA SER A 19 19.608 1.159 -3.083 1.00 0.00 C ATOM 3 C SER A 19 18.129 1.502 -2.991 1.00 0.00 C ATOM 4 O SER A 19 17.538 1.446 -1.912 1.00 0.00 O ATOM 5 CB SER A 19 19.814 0.015 -4.073 1.00 0.00 C ATOM 6 OG SER A 19 21.191 -0.289 -4.220 1.00 0.00 O ATOM 0 HA SER A 19 20.151 2.037 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.278 -0.869 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.393 0.287 -5.041 1.00 0.00 H new ATOM 0 HG SER A 19 21.669 -0.046 -3.400 1.00 0.00 H new ATOM 14 N PHE A 20 17.550 1.861 -4.127 1.00 0.00 N ATOM 15 CA PHE A 20 16.120 2.106 -4.224 1.00 0.00 C ATOM 16 C PHE A 20 15.395 0.781 -4.368 1.00 0.00 C ATOM 17 O PHE A 20 15.861 -0.118 -5.073 1.00 0.00 O ATOM 18 CB PHE A 20 15.789 2.998 -5.423 1.00 0.00 C ATOM 19 CG PHE A 20 16.385 4.377 -5.353 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.679 4.611 -5.787 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.648 5.440 -4.858 1.00 0.00 C ATOM 22 CE1 PHE A 20 18.229 5.878 -5.726 1.00 0.00 C ATOM 23 CE2 PHE A 20 16.192 6.709 -4.796 1.00 0.00 C ATOM 24 CZ PHE A 20 17.484 6.928 -5.228 1.00 0.00 C ATOM 0 H PHE A 20 18.056 1.990 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 20 15.797 2.619 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.140 2.509 -6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.706 3.087 -5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.266 3.793 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.637 5.275 -4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.240 6.046 -6.067 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.606 7.529 -4.409 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.911 7.919 -5.177 1.00 0.00 H new ATOM 34 N VAL A 21 14.262 0.665 -3.715 1.00 0.00 N ATOM 35 CA VAL A 21 13.552 -0.597 -3.655 1.00 0.00 C ATOM 36 C VAL A 21 12.072 -0.422 -3.981 1.00 0.00 C ATOM 37 O VAL A 21 11.449 0.570 -3.595 1.00 0.00 O ATOM 38 CB VAL A 21 13.738 -1.241 -2.261 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.465 -0.220 -1.183 1.00 0.00 C ATOM 40 CG2 VAL A 21 12.845 -2.456 -2.072 1.00 0.00 C ATOM 0 H VAL A 21 13.809 1.430 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 21 13.972 -1.262 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 21 14.771 -1.582 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.598 -0.680 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.158 0.615 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.442 0.144 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.008 -2.877 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.801 -2.160 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.084 -3.205 -2.827 1.00 0.00 H new ATOM 50 N GLN A 22 11.529 -1.375 -4.727 1.00 0.00 N ATOM 51 CA GLN A 22 10.118 -1.382 -5.062 1.00 0.00 C ATOM 52 C GLN A 22 9.440 -2.560 -4.368 1.00 0.00 C ATOM 53 O GLN A 22 10.045 -3.622 -4.209 1.00 0.00 O ATOM 54 CB GLN A 22 9.942 -1.455 -6.586 1.00 0.00 C ATOM 55 CG GLN A 22 10.408 -2.765 -7.217 1.00 0.00 C ATOM 56 CD GLN A 22 9.293 -3.788 -7.321 1.00 0.00 C ATOM 57 OE1 GLN A 22 9.520 -4.995 -7.233 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.078 -3.316 -7.542 1.00 0.00 N ATOM 0 H GLN A 22 12.054 -2.159 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 22 9.650 -0.461 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.889 -1.306 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.491 -0.631 -7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.806 -2.564 -8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.224 -3.180 -6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.926 -2.310 -7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.292 -3.958 -7.645 1.00 0.00 H new ATOM 67 N CYS A 23 8.199 -2.379 -3.945 1.00 0.00 N ATOM 68 CA CYS A 23 7.506 -3.424 -3.211 1.00 0.00 C ATOM 69 C CYS A 23 5.999 -3.320 -3.381 1.00 0.00 C ATOM 70 O CYS A 23 5.466 -2.252 -3.706 1.00 0.00 O ATOM 71 CB CYS A 23 7.866 -3.341 -1.728 1.00 0.00 C ATOM 72 SG CYS A 23 7.565 -1.723 -0.982 1.00 0.00 S ATOM 0 H CYS A 23 7.657 -1.528 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 23 7.824 -4.385 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.293 -4.092 -1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.919 -3.594 -1.607 1.00 0.00 H new ATOM 0 HG CYS A 23 8.321 -1.581 0.066 1.00 0.00 H new ATOM 78 N ASN A 24 5.315 -4.439 -3.173 1.00 0.00 N ATOM 79 CA ASN A 24 3.863 -4.454 -3.180 1.00 0.00 C ATOM 80 C ASN A 24 3.343 -3.910 -1.866 1.00 0.00 C ATOM 81 O ASN A 24 3.539 -4.505 -0.807 1.00 0.00 O ATOM 82 CB ASN A 24 3.310 -5.866 -3.429 1.00 0.00 C ATOM 83 CG ASN A 24 4.141 -6.953 -2.782 1.00 0.00 C ATOM 84 OD1 ASN A 24 3.967 -7.277 -1.606 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.028 -7.550 -3.565 1.00 0.00 N ATOM 0 H ASN A 24 5.746 -5.347 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 24 3.521 -3.821 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.290 -5.922 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.260 -6.046 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.600 -8.311 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.138 -7.249 -4.533 1.00 0.00 H new ATOM 92 N HIS A 25 2.712 -2.754 -1.945 1.00 0.00 N ATOM 93 CA HIS A 25 2.170 -2.094 -0.776 1.00 0.00 C ATOM 94 C HIS A 25 0.820 -2.692 -0.433 1.00 0.00 C ATOM 95 O HIS A 25 -0.133 -2.589 -1.205 1.00 0.00 O ATOM 96 CB HIS A 25 2.025 -0.594 -1.023 1.00 0.00 C ATOM 97 CG HIS A 25 3.323 0.151 -1.110 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.386 -0.248 -1.894 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.728 1.281 -0.487 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.384 0.604 -1.744 1.00 0.00 C ATOM 101 NE2 HIS A 25 5.012 1.542 -0.899 1.00 0.00 N ATOM 0 H HIS A 25 2.562 -2.249 -2.818 1.00 0.00 H new ATOM 0 HA HIS A 25 2.856 -2.242 0.058 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.472 -0.443 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.426 -0.163 -0.221 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.399 -1.072 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.148 1.870 0.208 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.345 0.541 -2.233 1.00 0.00 H new ATOM 110 N HIS A 26 0.755 -3.321 0.719 1.00 0.00 N ATOM 111 CA HIS A 26 -0.460 -3.987 1.163 1.00 0.00 C ATOM 112 C HIS A 26 -1.406 -3.006 1.828 1.00 0.00 C ATOM 113 O HIS A 26 -1.013 -2.260 2.718 1.00 0.00 O ATOM 114 CB HIS A 26 -0.131 -5.118 2.140 1.00 0.00 C ATOM 115 CG HIS A 26 0.290 -6.393 1.478 1.00 0.00 C ATOM 116 ND1 HIS A 26 -0.009 -7.635 1.993 1.00 0.00 N ATOM 117 CD2 HIS A 26 0.978 -6.619 0.335 1.00 0.00 C ATOM 118 CE1 HIS A 26 0.473 -8.570 1.197 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.076 -7.981 0.181 1.00 0.00 N ATOM 0 H HIS A 26 1.534 -3.388 1.374 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.947 -4.405 0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.665 -4.787 2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.006 -5.314 2.760 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -0.524 -7.806 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.376 -5.869 -0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.389 -9.636 1.350 1.00 0.00 H new ATOM 128 N LEU A 27 -2.650 -3.009 1.385 1.00 0.00 N ATOM 129 CA LEU A 27 -3.686 -2.213 2.016 1.00 0.00 C ATOM 130 C LEU A 27 -4.525 -3.124 2.900 1.00 0.00 C ATOM 131 O LEU A 27 -4.924 -4.216 2.477 1.00 0.00 O ATOM 132 CB LEU A 27 -4.558 -1.524 0.952 1.00 0.00 C ATOM 133 CG LEU A 27 -5.331 -0.275 1.416 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.437 -0.632 2.394 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.384 0.732 2.050 1.00 0.00 C ATOM 0 H LEU A 27 -2.968 -3.557 0.586 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.234 -1.431 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.919 -1.241 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.276 -2.251 0.573 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.791 0.171 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.960 0.275 2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.141 -1.313 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.005 -1.114 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.947 1.608 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.894 0.278 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.631 1.032 1.321 1.00 0.00 H new ATOM 147 N LEU A 28 -4.770 -2.688 4.124 1.00 0.00 N ATOM 148 CA LEU A 28 -5.533 -3.471 5.078 1.00 0.00 C ATOM 149 C LEU A 28 -6.961 -2.949 5.197 1.00 0.00 C ATOM 150 O LEU A 28 -7.193 -1.782 5.520 1.00 0.00 O ATOM 151 CB LEU A 28 -4.854 -3.452 6.447 1.00 0.00 C ATOM 152 CG LEU A 28 -4.477 -4.827 6.999 1.00 0.00 C ATOM 153 CD1 LEU A 28 -5.701 -5.729 7.104 1.00 0.00 C ATOM 154 CD2 LEU A 28 -3.406 -5.463 6.129 1.00 0.00 C ATOM 0 H LEU A 28 -4.448 -1.789 4.481 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.572 -4.498 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.952 -2.844 6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.518 -2.961 7.159 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.076 -4.698 8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.404 -6.700 7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.432 -5.274 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.143 -5.859 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.145 -6.442 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.783 -5.577 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.521 -4.827 6.118 1.00 0.00 H new ATOM 166 N TYR A 29 -7.907 -3.831 4.936 1.00 0.00 N ATOM 167 CA TYR A 29 -9.322 -3.517 5.058 1.00 0.00 C ATOM 168 C TYR A 29 -9.844 -4.207 6.310 1.00 0.00 C ATOM 169 O TYR A 29 -9.389 -5.301 6.637 1.00 0.00 O ATOM 170 CB TYR A 29 -10.064 -4.002 3.802 1.00 0.00 C ATOM 171 CG TYR A 29 -11.505 -3.551 3.686 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.817 -2.296 3.177 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.553 -4.387 4.055 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.129 -1.885 3.041 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.867 -3.981 3.926 1.00 0.00 C ATOM 176 CZ TYR A 29 -14.151 -2.731 3.417 1.00 0.00 C ATOM 177 OH TYR A 29 -15.461 -2.328 3.276 1.00 0.00 O ATOM 0 H TYR A 29 -7.718 -4.787 4.633 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.483 -2.442 5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.521 -3.656 2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.039 -5.092 3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.019 -1.630 2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.336 -5.369 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.353 -0.907 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -14.669 -4.640 4.223 1.00 0.00 H new ATOM 0 HH TYR A 29 -16.058 -3.041 3.586 1.00 0.00 H new ATOM 187 N ASN A 30 -10.769 -3.559 7.017 1.00 0.00 N ATOM 188 CA ASN A 30 -11.260 -4.068 8.300 1.00 0.00 C ATOM 189 C ASN A 30 -11.739 -5.510 8.163 1.00 0.00 C ATOM 190 O ASN A 30 -12.805 -5.775 7.605 1.00 0.00 O ATOM 191 CB ASN A 30 -12.392 -3.182 8.837 1.00 0.00 C ATOM 192 CG ASN A 30 -12.782 -3.511 10.273 1.00 0.00 C ATOM 193 OD1 ASN A 30 -12.688 -4.650 10.724 1.00 0.00 O ATOM 194 ND2 ASN A 30 -13.228 -2.502 11.006 1.00 0.00 N ATOM 0 H ASN A 30 -11.195 -2.680 6.724 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.433 -4.045 9.010 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.085 -2.138 8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.266 -3.292 8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.505 -2.659 11.975 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.294 -1.568 10.602 1.00 0.00 H new ATOM 201 N GLY A 31 -10.931 -6.432 8.668 1.00 0.00 N ATOM 202 CA GLY A 31 -11.251 -7.836 8.576 1.00 0.00 C ATOM 203 C GLY A 31 -10.079 -8.652 8.076 1.00 0.00 C ATOM 204 O GLY A 31 -9.696 -9.641 8.700 1.00 0.00 O ATOM 0 H GLY A 31 -10.052 -6.226 9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.557 -8.203 9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.100 -7.971 7.905 1.00 0.00 H new ATOM 208 N ARG A 32 -9.488 -8.222 6.966 1.00 0.00 N ATOM 209 CA ARG A 32 -8.399 -8.963 6.342 1.00 0.00 C ATOM 210 C ARG A 32 -7.792 -8.154 5.191 1.00 0.00 C ATOM 211 O ARG A 32 -8.360 -7.143 4.775 1.00 0.00 O ATOM 212 CB ARG A 32 -8.917 -10.322 5.831 1.00 0.00 C ATOM 213 CG ARG A 32 -7.835 -11.271 5.335 1.00 0.00 C ATOM 214 CD ARG A 32 -6.846 -11.627 6.435 1.00 0.00 C ATOM 215 NE ARG A 32 -5.751 -12.454 5.931 1.00 0.00 N ATOM 216 CZ ARG A 32 -4.611 -12.669 6.589 1.00 0.00 C ATOM 217 NH1 ARG A 32 -4.415 -12.142 7.789 1.00 0.00 N ATOM 218 NH2 ARG A 32 -3.662 -13.418 6.052 1.00 0.00 N ATOM 0 H ARG A 32 -9.746 -7.363 6.480 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.620 -9.138 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.469 -10.810 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.624 -10.144 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.297 -12.181 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.302 -10.811 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.441 -10.713 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.365 -12.158 7.233 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.866 -12.895 5.018 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.140 -11.566 8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.540 -12.312 8.284 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.800 -13.834 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.792 -13.580 6.559 1.00 0.00 H new ATOM 232 N HIS A 33 -6.628 -8.603 4.712 1.00 0.00 N ATOM 233 CA HIS A 33 -5.951 -8.038 3.539 1.00 0.00 C ATOM 234 C HIS A 33 -6.942 -7.592 2.456 1.00 0.00 C ATOM 235 O HIS A 33 -7.836 -8.344 2.067 1.00 0.00 O ATOM 236 CB HIS A 33 -4.993 -9.100 2.972 1.00 0.00 C ATOM 237 CG HIS A 33 -4.462 -8.792 1.607 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.188 -9.015 0.464 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.277 -8.283 1.207 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.477 -8.657 -0.580 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.304 -8.209 -0.166 1.00 0.00 N ATOM 0 H HIS A 33 -6.121 -9.381 5.134 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.402 -7.149 3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.153 -9.216 3.657 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.512 -10.058 2.939 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.459 -7.988 1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.798 -8.718 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.550 -7.868 -0.762 1.00 0.00 H new ATOM 250 N TRP A 34 -6.756 -6.374 1.961 1.00 0.00 N ATOM 251 CA TRP A 34 -7.654 -5.803 0.966 1.00 0.00 C ATOM 252 C TRP A 34 -7.072 -5.926 -0.441 1.00 0.00 C ATOM 253 O TRP A 34 -7.690 -6.521 -1.325 1.00 0.00 O ATOM 254 CB TRP A 34 -7.914 -4.337 1.307 1.00 0.00 C ATOM 255 CG TRP A 34 -8.880 -3.648 0.399 1.00 0.00 C ATOM 256 CD1 TRP A 34 -8.676 -2.473 -0.259 1.00 0.00 C ATOM 257 CD2 TRP A 34 -10.201 -4.082 0.046 1.00 0.00 C ATOM 258 NE1 TRP A 34 -9.784 -2.144 -0.990 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.734 -3.117 -0.827 1.00 0.00 C ATOM 260 CE3 TRP A 34 -10.982 -5.191 0.379 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -12.013 -3.223 -1.366 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -12.252 -5.298 -0.157 1.00 0.00 C ATOM 263 CH2 TRP A 34 -12.755 -4.320 -1.023 1.00 0.00 C ATOM 0 H TRP A 34 -5.988 -5.761 2.234 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.593 -6.356 0.983 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.290 -4.277 2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.966 -3.799 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -7.771 -1.886 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -9.887 -1.308 -1.565 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.600 -5.952 1.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.405 -2.467 -2.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -12.866 -6.150 0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -13.749 -4.434 -1.429 1.00 0.00 H new ATOM 274 N GLY A 35 -5.875 -5.386 -0.634 1.00 0.00 N ATOM 275 CA GLY A 35 -5.238 -5.419 -1.942 1.00 0.00 C ATOM 276 C GLY A 35 -3.777 -5.039 -1.859 1.00 0.00 C ATOM 277 O GLY A 35 -3.270 -4.788 -0.762 1.00 0.00 O ATOM 0 H GLY A 35 -5.330 -4.923 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.331 -6.418 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.755 -4.736 -2.616 1.00 0.00 H new ATOM 281 N THR A 36 -3.091 -5.007 -2.998 1.00 0.00 N ATOM 282 CA THR A 36 -1.684 -4.643 -3.015 1.00 0.00 C ATOM 283 C THR A 36 -1.280 -4.008 -4.350 1.00 0.00 C ATOM 284 O THR A 36 -1.758 -4.405 -5.418 1.00 0.00 O ATOM 285 CB THR A 36 -0.802 -5.873 -2.713 1.00 0.00 C ATOM 286 OG1 THR A 36 0.537 -5.465 -2.440 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.796 -6.853 -3.872 1.00 0.00 C ATOM 0 H THR A 36 -3.485 -5.227 -3.912 1.00 0.00 H new ATOM 0 HA THR A 36 -1.528 -3.898 -2.234 1.00 0.00 H new ATOM 0 HB THR A 36 -1.224 -6.370 -1.840 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.585 -4.486 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.165 -7.706 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.813 -7.197 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.406 -6.361 -4.763 1.00 0.00 H new ATOM 295 N ILE A 37 -0.416 -2.999 -4.273 1.00 0.00 N ATOM 296 CA ILE A 37 0.082 -2.295 -5.451 1.00 0.00 C ATOM 297 C ILE A 37 1.602 -2.147 -5.363 1.00 0.00 C ATOM 298 O ILE A 37 2.127 -1.704 -4.338 1.00 0.00 O ATOM 299 CB ILE A 37 -0.544 -0.878 -5.613 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.071 -0.936 -5.763 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.061 -0.167 -6.815 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.821 -1.045 -4.451 1.00 0.00 C ATOM 0 H ILE A 37 -0.042 -2.647 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.203 -2.892 -6.317 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.318 -0.321 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.407 -0.042 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.331 -1.790 -6.389 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.386 0.822 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.137 -0.066 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.134 -0.747 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.893 -1.080 -4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.516 -1.954 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.594 -0.179 -3.829 1.00 0.00 H new ATOM 314 N ARG A 38 2.315 -2.513 -6.421 1.00 0.00 N ATOM 315 CA ARG A 38 3.764 -2.384 -6.427 1.00 0.00 C ATOM 316 C ARG A 38 4.199 -1.012 -6.906 1.00 0.00 C ATOM 317 O ARG A 38 3.831 -0.567 -7.995 1.00 0.00 O ATOM 318 CB ARG A 38 4.434 -3.460 -7.279 1.00 0.00 C ATOM 319 CG ARG A 38 4.702 -4.742 -6.520 1.00 0.00 C ATOM 320 CD ARG A 38 5.743 -5.601 -7.220 1.00 0.00 C ATOM 321 NE ARG A 38 5.321 -6.003 -8.557 1.00 0.00 N ATOM 322 CZ ARG A 38 6.157 -6.206 -9.577 1.00 0.00 C ATOM 323 NH1 ARG A 38 7.469 -6.070 -9.415 1.00 0.00 N ATOM 324 NH2 ARG A 38 5.684 -6.551 -10.763 1.00 0.00 N ATOM 0 H ARG A 38 1.917 -2.898 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 38 4.086 -2.516 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.801 -3.680 -8.138 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.376 -3.072 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.044 -4.504 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.774 -5.305 -6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.680 -5.049 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.940 -6.490 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 38 4.324 -6.137 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.846 -5.808 -8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.099 -6.228 -10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.679 -6.662 -10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.324 -6.706 -11.542 1.00 0.00 H new ATOM 338 N LYS A 39 4.986 -0.360 -6.072 1.00 0.00 N ATOM 339 CA LYS A 39 5.551 0.942 -6.380 1.00 0.00 C ATOM 340 C LYS A 39 6.847 1.106 -5.597 1.00 0.00 C ATOM 341 O LYS A 39 7.019 0.484 -4.542 1.00 0.00 O ATOM 342 CB LYS A 39 4.554 2.060 -6.036 1.00 0.00 C ATOM 343 CG LYS A 39 5.061 3.453 -6.386 1.00 0.00 C ATOM 344 CD LYS A 39 3.988 4.521 -6.238 1.00 0.00 C ATOM 345 CE LYS A 39 2.890 4.378 -7.282 1.00 0.00 C ATOM 346 NZ LYS A 39 2.035 5.596 -7.354 1.00 0.00 N ATOM 0 H LYS A 39 5.254 -0.720 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 39 5.761 1.011 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.619 1.878 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.329 2.021 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.906 3.700 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.430 3.454 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.550 4.459 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.444 5.507 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.338 4.190 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.271 3.513 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.034 5.322 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.273 6.234 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.200 6.083 -8.258 1.00 0.00 H new ATOM 360 N LYS A 40 7.764 1.904 -6.126 1.00 0.00 N ATOM 361 CA LYS A 40 9.056 2.103 -5.489 1.00 0.00 C ATOM 362 C LYS A 40 8.936 3.030 -4.287 1.00 0.00 C ATOM 363 O LYS A 40 8.010 3.842 -4.202 1.00 0.00 O ATOM 364 CB LYS A 40 10.065 2.675 -6.487 1.00 0.00 C ATOM 365 CG LYS A 40 10.227 1.833 -7.740 1.00 0.00 C ATOM 366 CD LYS A 40 11.370 2.340 -8.596 1.00 0.00 C ATOM 367 CE LYS A 40 12.698 2.246 -7.863 1.00 0.00 C ATOM 368 NZ LYS A 40 13.829 2.693 -8.713 1.00 0.00 N ATOM 0 H LYS A 40 7.636 2.424 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 40 9.410 1.132 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.751 3.679 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.034 2.771 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.409 0.795 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.302 1.851 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.420 1.761 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.182 3.376 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.659 2.855 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.866 1.217 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.717 2.614 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.882 2.095 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.681 3.683 -8.995 1.00 0.00 H new ATOM 382 N ALA A 41 9.870 2.886 -3.358 1.00 0.00 N ATOM 383 CA ALA A 41 9.920 3.726 -2.174 1.00 0.00 C ATOM 384 C ALA A 41 10.100 5.188 -2.556 1.00 0.00 C ATOM 385 O ALA A 41 10.805 5.509 -3.512 1.00 0.00 O ATOM 386 CB ALA A 41 11.043 3.276 -1.253 1.00 0.00 C ATOM 0 H ALA A 41 10.611 2.186 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 41 8.973 3.626 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.068 3.915 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.872 2.243 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.995 3.347 -1.779 1.00 0.00 H new ATOM 392 N GLY A 42 9.441 6.060 -1.816 1.00 0.00 N ATOM 393 CA GLY A 42 9.519 7.478 -2.092 1.00 0.00 C ATOM 394 C GLY A 42 8.267 7.998 -2.757 1.00 0.00 C ATOM 395 O GLY A 42 7.829 9.115 -2.483 1.00 0.00 O ATOM 0 H GLY A 42 8.849 5.811 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.686 8.019 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.378 7.675 -2.733 1.00 0.00 H new ATOM 399 N TRP A 43 7.679 7.185 -3.621 1.00 0.00 N ATOM 400 CA TRP A 43 6.487 7.587 -4.351 1.00 0.00 C ATOM 401 C TRP A 43 5.232 7.208 -3.578 1.00 0.00 C ATOM 402 O TRP A 43 5.202 6.194 -2.875 1.00 0.00 O ATOM 403 CB TRP A 43 6.450 6.940 -5.734 1.00 0.00 C ATOM 404 CG TRP A 43 7.682 7.172 -6.556 1.00 0.00 C ATOM 405 CD1 TRP A 43 8.381 6.230 -7.245 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.365 8.416 -6.767 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.448 6.805 -7.885 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.462 8.146 -7.607 1.00 0.00 C ATOM 409 CE3 TRP A 43 8.151 9.730 -6.338 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.346 9.142 -8.019 1.00 0.00 C ATOM 411 CZ3 TRP A 43 9.030 10.715 -6.746 1.00 0.00 C ATOM 412 CH2 TRP A 43 10.113 10.417 -7.581 1.00 0.00 C ATOM 0 H TRP A 43 8.008 6.243 -3.834 1.00 0.00 H new ATOM 0 HA TRP A 43 6.520 8.670 -4.470 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.303 5.866 -5.616 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.587 7.323 -6.278 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.131 5.180 -7.282 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.122 6.314 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.314 9.970 -5.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.185 8.915 -8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.879 11.732 -6.415 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.779 11.211 -7.886 1.00 0.00 H new ATOM 423 N ALA A 44 4.202 8.030 -3.711 1.00 0.00 N ATOM 424 CA ALA A 44 2.941 7.798 -3.038 1.00 0.00 C ATOM 425 C ALA A 44 2.053 6.865 -3.862 1.00 0.00 C ATOM 426 O ALA A 44 1.885 7.057 -5.067 1.00 0.00 O ATOM 427 CB ALA A 44 2.240 9.123 -2.791 1.00 0.00 C ATOM 0 H ALA A 44 4.220 8.872 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 44 3.136 7.317 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.292 8.944 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.870 9.757 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.055 9.620 -3.743 1.00 0.00 H new ATOM 433 N VAL A 45 1.502 5.846 -3.218 1.00 0.00 N ATOM 434 CA VAL A 45 0.634 4.891 -3.897 1.00 0.00 C ATOM 435 C VAL A 45 -0.823 5.199 -3.604 1.00 0.00 C ATOM 436 O VAL A 45 -1.150 5.752 -2.553 1.00 0.00 O ATOM 437 CB VAL A 45 0.909 3.437 -3.468 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.923 2.514 -4.674 1.00 0.00 C ATOM 439 CG2 VAL A 45 2.201 3.331 -2.686 1.00 0.00 C ATOM 0 H VAL A 45 1.640 5.658 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 45 0.846 4.989 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 45 0.099 3.122 -2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.119 1.492 -4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.044 2.556 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.704 2.830 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.367 2.293 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.030 3.673 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.137 3.951 -1.791 1.00 0.00 H new ATOM 449 N ARG A 46 -1.690 4.829 -4.529 1.00 0.00 N ATOM 450 CA ARG A 46 -3.113 5.045 -4.358 1.00 0.00 C ATOM 451 C ARG A 46 -3.761 3.794 -3.771 1.00 0.00 C ATOM 452 O ARG A 46 -3.391 2.671 -4.119 1.00 0.00 O ATOM 453 CB ARG A 46 -3.766 5.432 -5.701 1.00 0.00 C ATOM 454 CG ARG A 46 -4.253 4.262 -6.559 1.00 0.00 C ATOM 455 CD ARG A 46 -3.137 3.300 -6.965 1.00 0.00 C ATOM 456 NE ARG A 46 -2.143 3.909 -7.846 1.00 0.00 N ATOM 457 CZ ARG A 46 -1.409 3.210 -8.714 1.00 0.00 C ATOM 458 NH1 ARG A 46 -1.598 1.905 -8.845 1.00 0.00 N ATOM 459 NH2 ARG A 46 -0.508 3.817 -9.475 1.00 0.00 N ATOM 0 H ARG A 46 -1.432 4.377 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.267 5.871 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.613 6.088 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.047 6.011 -6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.015 3.711 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.729 4.654 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.640 2.931 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.575 2.436 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.003 4.918 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.306 1.433 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.036 1.372 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.372 4.825 -9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.049 3.276 -10.136 1.00 0.00 H new ATOM 473 N PHE A 47 -4.694 3.985 -2.858 1.00 0.00 N ATOM 474 CA PHE A 47 -5.430 2.872 -2.287 1.00 0.00 C ATOM 475 C PHE A 47 -6.901 3.231 -2.206 1.00 0.00 C ATOM 476 O PHE A 47 -7.255 4.318 -1.751 1.00 0.00 O ATOM 477 CB PHE A 47 -4.886 2.518 -0.902 1.00 0.00 C ATOM 478 CG PHE A 47 -3.439 2.110 -0.910 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.070 0.826 -1.276 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.453 3.011 -0.552 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.740 0.451 -1.288 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.124 2.641 -0.563 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.767 1.359 -0.928 1.00 0.00 C ATOM 0 H PHE A 47 -4.961 4.900 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.309 1.998 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.009 3.377 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.481 1.707 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.830 0.111 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.726 4.015 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.463 -0.552 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.363 3.355 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.273 1.067 -0.932 1.00 0.00 H new ATOM 493 N TYR A 48 -7.755 2.329 -2.654 1.00 0.00 N ATOM 494 CA TYR A 48 -9.173 2.620 -2.754 1.00 0.00 C ATOM 495 C TYR A 48 -10.012 1.377 -2.510 1.00 0.00 C ATOM 496 O TYR A 48 -9.537 0.249 -2.647 1.00 0.00 O ATOM 497 CB TYR A 48 -9.493 3.216 -4.133 1.00 0.00 C ATOM 498 CG TYR A 48 -9.011 2.383 -5.304 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.705 2.492 -5.771 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.865 1.500 -5.952 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.266 1.742 -6.844 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.432 0.746 -7.026 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.130 0.872 -7.469 1.00 0.00 C ATOM 504 OH TYR A 48 -7.697 0.130 -8.546 1.00 0.00 O ATOM 0 H TYR A 48 -7.492 1.390 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.423 3.348 -1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.572 3.348 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.045 4.207 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.023 3.175 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.885 1.401 -5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.248 1.838 -7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.108 0.062 -7.516 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.430 -0.435 -8.870 1.00 0.00 H new ATOM 514 N GLU A 49 -11.259 1.600 -2.128 1.00 0.00 N ATOM 515 CA GLU A 49 -12.202 0.517 -1.926 1.00 0.00 C ATOM 516 C GLU A 49 -13.023 0.328 -3.192 1.00 0.00 C ATOM 517 O GLU A 49 -13.543 1.291 -3.753 1.00 0.00 O ATOM 518 CB GLU A 49 -13.127 0.808 -0.732 1.00 0.00 C ATOM 519 CG GLU A 49 -13.981 2.054 -0.910 1.00 0.00 C ATOM 520 CD GLU A 49 -14.845 2.372 0.297 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.599 1.486 0.750 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.780 3.511 0.797 1.00 0.00 O ATOM 0 H GLU A 49 -11.642 2.529 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.649 -0.396 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.780 -0.050 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.521 0.919 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.331 2.904 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.622 1.924 -1.782 1.00 0.00 H new ATOM 529 N GLU A 50 -13.110 -0.900 -3.659 1.00 0.00 N ATOM 530 CA GLU A 50 -13.923 -1.197 -4.820 1.00 0.00 C ATOM 531 C GLU A 50 -14.902 -2.314 -4.496 1.00 0.00 C ATOM 532 O GLU A 50 -14.514 -3.457 -4.248 1.00 0.00 O ATOM 533 CB GLU A 50 -13.056 -1.537 -6.037 1.00 0.00 C ATOM 534 CG GLU A 50 -12.083 -2.686 -5.843 1.00 0.00 C ATOM 535 CD GLU A 50 -11.300 -2.972 -7.109 1.00 0.00 C ATOM 536 OE1 GLU A 50 -11.793 -2.612 -8.203 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.190 -3.536 -7.025 1.00 0.00 O ATOM 0 H GLU A 50 -12.631 -1.705 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.495 -0.307 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.712 -1.776 -6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.491 -0.649 -6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.393 -2.447 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.630 -3.580 -5.542 1.00 0.00 H new ATOM 544 N LYS A 51 -16.174 -1.958 -4.466 1.00 0.00 N ATOM 545 CA LYS A 51 -17.234 -2.887 -4.112 1.00 0.00 C ATOM 546 C LYS A 51 -18.405 -2.716 -5.072 1.00 0.00 C ATOM 547 O LYS A 51 -18.954 -1.620 -5.197 1.00 0.00 O ATOM 548 CB LYS A 51 -17.666 -2.650 -2.660 1.00 0.00 C ATOM 549 CG LYS A 51 -16.599 -3.054 -1.649 1.00 0.00 C ATOM 550 CD LYS A 51 -16.971 -2.660 -0.229 1.00 0.00 C ATOM 551 CE LYS A 51 -16.842 -1.162 -0.021 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.909 -0.788 1.415 1.00 0.00 N ATOM 0 H LYS A 51 -16.502 -1.017 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.871 -3.912 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.906 -1.595 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.579 -3.212 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.447 -4.132 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.652 -2.586 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.994 -2.972 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.327 -3.184 0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.896 -0.819 -0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.636 -0.651 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.568 0.187 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -17.893 -0.855 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.313 -1.434 1.970 1.00 0.00 H new ATOM 566 N PRO A 52 -18.778 -3.806 -5.767 1.00 0.00 N ATOM 567 CA PRO A 52 -19.777 -3.783 -6.846 1.00 0.00 C ATOM 568 C PRO A 52 -21.060 -3.048 -6.469 1.00 0.00 C ATOM 569 O PRO A 52 -21.792 -3.456 -5.561 1.00 0.00 O ATOM 570 CB PRO A 52 -20.060 -5.271 -7.118 1.00 0.00 C ATOM 571 CG PRO A 52 -19.395 -6.022 -6.011 1.00 0.00 C ATOM 572 CD PRO A 52 -18.258 -5.161 -5.552 1.00 0.00 C ATOM 0 HA PRO A 52 -19.404 -3.242 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.132 -5.468 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.665 -5.573 -8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.093 -6.214 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.035 -6.991 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.011 -5.339 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.352 -5.344 -6.129 1.00 0.00 H new ATOM 580 N GLY A 53 -21.324 -1.966 -7.185 1.00 0.00 N ATOM 581 CA GLY A 53 -22.487 -1.150 -6.921 1.00 0.00 C ATOM 582 C GLY A 53 -22.092 0.248 -6.496 1.00 0.00 C ATOM 583 O GLY A 53 -22.893 1.183 -6.562 1.00 0.00 O ATOM 0 H GLY A 53 -20.743 -1.636 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.109 -1.099 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.090 -1.613 -6.140 1.00 0.00 H new ATOM 587 N GLN A 54 -20.849 0.389 -6.055 1.00 0.00 N ATOM 588 CA GLN A 54 -20.332 1.671 -5.604 1.00 0.00 C ATOM 589 C GLN A 54 -19.036 2.019 -6.331 1.00 0.00 C ATOM 590 O GLN A 54 -18.274 1.130 -6.724 1.00 0.00 O ATOM 591 CB GLN A 54 -20.075 1.618 -4.099 1.00 0.00 C ATOM 592 CG GLN A 54 -21.279 1.166 -3.295 1.00 0.00 C ATOM 593 CD GLN A 54 -20.996 1.099 -1.808 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.174 2.079 -1.085 1.00 0.00 O ATOM 595 NE2 GLN A 54 -20.557 -0.060 -1.342 1.00 0.00 N ATOM 0 H GLN A 54 -20.177 -0.376 -6.001 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.072 2.440 -5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.243 0.941 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.769 2.606 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.108 1.851 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.597 0.184 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.423 -0.847 -1.977 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.352 -0.166 -0.348 1.00 0.00 H new ATOM 604 N PRO A 55 -18.778 3.321 -6.532 1.00 0.00 N ATOM 605 CA PRO A 55 -17.516 3.802 -7.099 1.00 0.00 C ATOM 606 C PRO A 55 -16.361 3.607 -6.128 1.00 0.00 C ATOM 607 O PRO A 55 -16.563 3.417 -4.926 1.00 0.00 O ATOM 608 CB PRO A 55 -17.777 5.286 -7.345 1.00 0.00 C ATOM 609 CG PRO A 55 -18.840 5.652 -6.369 1.00 0.00 C ATOM 610 CD PRO A 55 -19.699 4.429 -6.217 1.00 0.00 C ATOM 0 HA PRO A 55 -17.230 3.263 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -16.875 5.878 -7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.102 5.466 -8.370 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.408 5.947 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.426 6.498 -6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.100 4.343 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.550 4.449 -6.897 1.00 0.00 H new ATOM 618 N LYS A 56 -15.158 3.664 -6.661 1.00 0.00 N ATOM 619 CA LYS A 56 -13.963 3.345 -5.906 1.00 0.00 C ATOM 620 C LYS A 56 -13.463 4.570 -5.156 1.00 0.00 C ATOM 621 O LYS A 56 -13.108 5.584 -5.763 1.00 0.00 O ATOM 622 CB LYS A 56 -12.916 2.800 -6.872 1.00 0.00 C ATOM 623 CG LYS A 56 -13.449 1.631 -7.685 1.00 0.00 C ATOM 624 CD LYS A 56 -12.774 1.528 -9.037 1.00 0.00 C ATOM 625 CE LYS A 56 -13.423 0.462 -9.912 1.00 0.00 C ATOM 626 NZ LYS A 56 -13.628 -0.820 -9.184 1.00 0.00 N ATOM 0 H LYS A 56 -14.981 3.932 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.180 2.586 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.595 3.594 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.036 2.482 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.296 0.704 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.524 1.746 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.823 2.493 -9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.719 1.293 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.383 0.828 -10.275 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.798 0.284 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.879 -1.568 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.752 -1.081 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.397 -0.708 -8.493 1.00 0.00 H new ATOM 640 N ARG A 57 -13.439 4.464 -3.835 1.00 0.00 N ATOM 641 CA ARG A 57 -13.172 5.604 -2.977 1.00 0.00 C ATOM 642 C ARG A 57 -11.754 5.535 -2.435 1.00 0.00 C ATOM 643 O ARG A 57 -11.322 4.484 -1.964 1.00 0.00 O ATOM 644 CB ARG A 57 -14.164 5.612 -1.815 1.00 0.00 C ATOM 645 CG ARG A 57 -14.401 6.984 -1.208 1.00 0.00 C ATOM 646 CD ARG A 57 -15.092 6.879 0.146 1.00 0.00 C ATOM 647 NE ARG A 57 -16.092 5.806 0.175 1.00 0.00 N ATOM 648 CZ ARG A 57 -17.412 6.005 0.185 1.00 0.00 C ATOM 649 NH1 ARG A 57 -17.902 7.239 0.176 1.00 0.00 N ATOM 650 NH2 ARG A 57 -18.243 4.969 0.215 1.00 0.00 N ATOM 0 H ARG A 57 -13.603 3.591 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.283 6.518 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.116 5.211 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.800 4.941 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.449 7.503 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -15.011 7.583 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.346 6.699 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.573 7.828 0.381 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.756 4.843 0.188 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.269 8.039 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.911 7.387 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.873 4.019 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.251 5.124 0.223 1.00 0.00 H new ATOM 664 N LEU A 58 -11.038 6.653 -2.500 1.00 0.00 N ATOM 665 CA LEU A 58 -9.668 6.720 -2.001 1.00 0.00 C ATOM 666 C LEU A 58 -9.650 6.535 -0.489 1.00 0.00 C ATOM 667 O LEU A 58 -10.161 7.378 0.251 1.00 0.00 O ATOM 668 CB LEU A 58 -9.031 8.062 -2.378 1.00 0.00 C ATOM 669 CG LEU A 58 -7.822 7.976 -3.314 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.418 9.363 -3.791 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.651 7.304 -2.615 1.00 0.00 C ATOM 0 H LEU A 58 -11.385 7.527 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.089 5.918 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.791 8.685 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.725 8.569 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.103 7.375 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.557 9.283 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.249 9.820 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.157 9.982 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.802 7.252 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.374 7.881 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.937 6.296 -2.314 1.00 0.00 H new ATOM 683 N VAL A 59 -9.075 5.429 -0.039 1.00 0.00 N ATOM 684 CA VAL A 59 -9.058 5.109 1.380 1.00 0.00 C ATOM 685 C VAL A 59 -7.792 5.625 2.046 1.00 0.00 C ATOM 686 O VAL A 59 -7.776 5.825 3.255 1.00 0.00 O ATOM 687 CB VAL A 59 -9.187 3.593 1.646 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.490 3.063 1.080 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.004 2.835 1.072 1.00 0.00 C ATOM 0 H VAL A 59 -8.615 4.740 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.927 5.607 1.811 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.191 3.438 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.564 1.993 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.327 3.577 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.517 3.237 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.121 1.770 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.956 2.997 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.084 3.193 1.534 1.00 0.00 H new ATOM 699 N ALA A 60 -6.729 5.809 1.255 1.00 0.00 N ATOM 700 CA ALA A 60 -5.491 6.390 1.757 1.00 0.00 C ATOM 701 C ALA A 60 -4.435 6.465 0.667 1.00 0.00 C ATOM 702 O ALA A 60 -4.377 5.620 -0.226 1.00 0.00 O ATOM 703 CB ALA A 60 -4.942 5.609 2.943 1.00 0.00 C ATOM 0 H ALA A 60 -6.707 5.562 0.266 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.732 7.400 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.018 6.074 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.674 5.612 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.740 4.582 2.640 1.00 0.00 H new ATOM 709 N ILE A 61 -3.616 7.495 0.741 1.00 0.00 N ATOM 710 CA ILE A 61 -2.445 7.605 -0.102 1.00 0.00 C ATOM 711 C ILE A 61 -1.230 7.306 0.759 1.00 0.00 C ATOM 712 O ILE A 61 -0.966 8.019 1.729 1.00 0.00 O ATOM 713 CB ILE A 61 -2.294 9.010 -0.731 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.548 9.411 -1.517 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.074 9.041 -1.633 1.00 0.00 C ATOM 716 CD1 ILE A 61 -4.645 10.006 -0.659 1.00 0.00 C ATOM 0 H ILE A 61 -3.744 8.276 1.385 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.543 6.899 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.166 9.732 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.269 10.133 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.938 8.533 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.972 10.033 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.183 8.810 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.189 8.302 -2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.498 10.264 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.954 9.279 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.274 10.904 -0.164 1.00 0.00 H new ATOM 728 N CYS A 62 -0.500 6.255 0.442 1.00 0.00 N ATOM 729 CA CYS A 62 0.551 5.803 1.335 1.00 0.00 C ATOM 730 C CYS A 62 1.870 5.716 0.600 1.00 0.00 C ATOM 731 O CYS A 62 1.909 5.382 -0.579 1.00 0.00 O ATOM 732 CB CYS A 62 0.189 4.447 1.945 1.00 0.00 C ATOM 733 SG CYS A 62 1.099 4.058 3.470 1.00 0.00 S ATOM 0 H CYS A 62 -0.611 5.706 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 62 0.653 6.529 2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.880 4.429 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.381 3.666 1.210 1.00 0.00 H new ATOM 738 N LYS A 63 2.947 6.029 1.291 1.00 0.00 N ATOM 739 CA LYS A 63 4.266 5.963 0.697 1.00 0.00 C ATOM 740 C LYS A 63 5.256 5.472 1.737 1.00 0.00 C ATOM 741 O LYS A 63 4.967 5.485 2.929 1.00 0.00 O ATOM 742 CB LYS A 63 4.678 7.333 0.160 1.00 0.00 C ATOM 743 CG LYS A 63 5.026 8.346 1.235 1.00 0.00 C ATOM 744 CD LYS A 63 5.192 9.730 0.642 1.00 0.00 C ATOM 745 CE LYS A 63 3.851 10.406 0.423 1.00 0.00 C ATOM 746 NZ LYS A 63 4.004 11.776 -0.127 1.00 0.00 N ATOM 0 H LYS A 63 2.935 6.332 2.265 1.00 0.00 H new ATOM 0 HA LYS A 63 4.253 5.266 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.538 7.209 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.866 7.731 -0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.242 8.362 1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.947 8.048 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.804 10.340 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.724 9.659 -0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.249 9.806 -0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.310 10.453 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.065 12.203 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.556 12.357 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.498 11.730 -1.041 1.00 0.00 H new ATOM 760 N ASN A 64 6.412 5.028 1.290 1.00 0.00 N ATOM 761 CA ASN A 64 7.400 4.475 2.202 1.00 0.00 C ATOM 762 C ASN A 64 8.238 5.589 2.809 1.00 0.00 C ATOM 763 O ASN A 64 8.632 6.513 2.099 1.00 0.00 O ATOM 764 CB ASN A 64 8.292 3.462 1.477 1.00 0.00 C ATOM 765 CG ASN A 64 9.381 2.892 2.367 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.166 1.920 3.089 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.559 3.485 2.310 1.00 0.00 N ATOM 0 H ASN A 64 6.692 5.037 0.309 1.00 0.00 H new ATOM 0 HA ASN A 64 6.879 3.956 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.675 2.647 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.750 3.942 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.332 3.139 2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.696 4.289 1.698 1.00 0.00 H new ATOM 774 N ALA A 65 8.475 5.500 4.120 1.00 0.00 N ATOM 775 CA ALA A 65 9.174 6.543 4.880 1.00 0.00 C ATOM 776 C ALA A 65 10.385 7.093 4.131 1.00 0.00 C ATOM 777 O ALA A 65 10.497 8.304 3.914 1.00 0.00 O ATOM 778 CB ALA A 65 9.601 6.002 6.235 1.00 0.00 C ATOM 0 H ALA A 65 8.188 4.702 4.687 1.00 0.00 H new ATOM 0 HA ALA A 65 8.475 7.368 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.119 6.783 6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.721 5.682 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.270 5.153 6.093 1.00 0.00 H new ATOM 784 N SER A 66 11.279 6.199 3.733 1.00 0.00 N ATOM 785 CA SER A 66 12.456 6.578 2.971 1.00 0.00 C ATOM 786 C SER A 66 12.152 6.546 1.478 1.00 0.00 C ATOM 787 O SER A 66 11.426 5.672 1.002 1.00 0.00 O ATOM 788 CB SER A 66 13.616 5.629 3.295 1.00 0.00 C ATOM 789 OG SER A 66 14.754 5.905 2.493 1.00 0.00 O ATOM 0 H SER A 66 11.209 5.200 3.928 1.00 0.00 H new ATOM 0 HA SER A 66 12.742 7.593 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.881 5.723 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.299 4.598 3.136 1.00 0.00 H new ATOM 0 HG SER A 66 15.522 5.398 2.829 1.00 0.00 H new ATOM 795 N PRO A 67 12.685 7.515 0.724 1.00 0.00 N ATOM 796 CA PRO A 67 12.557 7.560 -0.730 1.00 0.00 C ATOM 797 C PRO A 67 13.573 6.658 -1.424 1.00 0.00 C ATOM 798 O PRO A 67 13.649 6.622 -2.651 1.00 0.00 O ATOM 799 CB PRO A 67 12.827 9.035 -1.080 1.00 0.00 C ATOM 800 CG PRO A 67 13.080 9.735 0.221 1.00 0.00 C ATOM 801 CD PRO A 67 13.433 8.669 1.220 1.00 0.00 C ATOM 0 HA PRO A 67 11.580 7.207 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.686 9.126 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.975 9.474 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.891 10.457 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.198 10.289 0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.506 8.477 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 67 13.133 8.944 2.231 1.00 0.00 H new ATOM 809 N VAL A 68 14.366 5.937 -0.635 1.00 0.00 N ATOM 810 CA VAL A 68 15.380 5.047 -1.183 1.00 0.00 C ATOM 811 C VAL A 68 15.171 3.621 -0.684 1.00 0.00 C ATOM 812 O VAL A 68 14.770 2.741 -1.447 1.00 0.00 O ATOM 813 CB VAL A 68 16.805 5.506 -0.819 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.822 4.771 -1.675 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.950 7.012 -0.981 1.00 0.00 C ATOM 0 H VAL A 68 14.324 5.953 0.384 1.00 0.00 H new ATOM 0 HA VAL A 68 15.274 5.077 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 68 16.990 5.266 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.827 5.102 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.736 3.698 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.634 4.985 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.965 7.310 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.748 7.288 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.242 7.518 -0.325 1.00 0.00 H new ATOM 825 N HIS A 69 15.433 3.398 0.601 1.00 0.00 N ATOM 826 CA HIS A 69 15.258 2.074 1.197 1.00 0.00 C ATOM 827 C HIS A 69 13.820 1.904 1.655 1.00 0.00 C ATOM 828 O HIS A 69 13.087 2.880 1.786 1.00 0.00 O ATOM 829 CB HIS A 69 16.159 1.868 2.417 1.00 0.00 C ATOM 830 CG HIS A 69 17.628 1.912 2.140 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.387 3.044 2.312 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.486 0.942 1.758 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.646 2.769 2.050 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.741 1.498 1.713 1.00 0.00 N ATOM 0 H HIS A 69 15.766 4.113 1.248 1.00 0.00 H new ATOM 0 HA HIS A 69 15.522 1.344 0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.922 2.633 3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.919 0.905 2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.232 -0.083 1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.467 3.469 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.601 1.010 1.461 1.00 0.00 H new ATOM 843 N CYS A 70 13.433 0.672 1.929 1.00 0.00 N ATOM 844 CA CYS A 70 12.091 0.384 2.410 1.00 0.00 C ATOM 845 C CYS A 70 12.099 0.216 3.926 1.00 0.00 C ATOM 846 O CYS A 70 12.862 -0.586 4.470 1.00 0.00 O ATOM 847 CB CYS A 70 11.532 -0.875 1.739 1.00 0.00 C ATOM 848 SG CYS A 70 9.811 -1.241 2.161 1.00 0.00 S ATOM 0 H CYS A 70 14.030 -0.149 1.827 1.00 0.00 H new ATOM 0 HA CYS A 70 11.446 1.224 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.613 -0.763 0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.152 -1.727 2.018 1.00 0.00 H new ATOM 0 HG CYS A 70 9.229 -0.159 2.588 1.00 0.00 H new ATOM 854 N ASN A 71 11.248 0.974 4.603 1.00 0.00 N ATOM 855 CA ASN A 71 11.176 0.934 6.057 1.00 0.00 C ATOM 856 C ASN A 71 9.757 0.617 6.499 1.00 0.00 C ATOM 857 O ASN A 71 9.424 -0.525 6.804 1.00 0.00 O ATOM 858 CB ASN A 71 11.605 2.273 6.676 1.00 0.00 C ATOM 859 CG ASN A 71 13.022 2.692 6.325 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.895 1.859 6.081 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.261 3.997 6.308 1.00 0.00 N ATOM 0 H ASN A 71 10.596 1.626 4.167 1.00 0.00 H new ATOM 0 HA ASN A 71 11.858 0.156 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.916 3.051 6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.515 2.205 7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.195 4.342 6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.510 4.656 6.516 1.00 0.00 H new ATOM 868 N TYR A 72 8.921 1.647 6.516 1.00 0.00 N ATOM 869 CA TYR A 72 7.529 1.512 6.915 1.00 0.00 C ATOM 870 C TYR A 72 6.668 2.316 5.960 1.00 0.00 C ATOM 871 O TYR A 72 7.189 3.119 5.180 1.00 0.00 O ATOM 872 CB TYR A 72 7.317 2.033 8.342 1.00 0.00 C ATOM 873 CG TYR A 72 8.357 1.568 9.333 1.00 0.00 C ATOM 874 CD1 TYR A 72 8.279 0.314 9.920 1.00 0.00 C ATOM 875 CD2 TYR A 72 9.424 2.389 9.674 1.00 0.00 C ATOM 876 CE1 TYR A 72 9.236 -0.110 10.824 1.00 0.00 C ATOM 877 CE2 TYR A 72 10.382 1.974 10.573 1.00 0.00 C ATOM 878 CZ TYR A 72 10.285 0.725 11.144 1.00 0.00 C ATOM 879 OH TYR A 72 11.240 0.315 12.044 1.00 0.00 O ATOM 0 H TYR A 72 9.189 2.596 6.254 1.00 0.00 H new ATOM 0 HA TYR A 72 7.254 0.458 6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.313 3.123 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.333 1.717 8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.459 -0.341 9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.504 3.369 9.227 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.162 -1.088 11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.205 2.625 10.828 1.00 0.00 H new ATOM 0 HH TYR A 72 11.909 1.022 12.156 1.00 0.00 H new ATOM 889 N LEU A 73 5.363 2.127 6.035 1.00 0.00 N ATOM 890 CA LEU A 73 4.454 2.840 5.158 1.00 0.00 C ATOM 891 C LEU A 73 3.782 3.987 5.895 1.00 0.00 C ATOM 892 O LEU A 73 3.109 3.789 6.907 1.00 0.00 O ATOM 893 CB LEU A 73 3.396 1.900 4.573 1.00 0.00 C ATOM 894 CG LEU A 73 3.914 0.878 3.559 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.751 0.180 2.865 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.827 1.550 2.543 1.00 0.00 C ATOM 0 H LEU A 73 4.911 1.489 6.691 1.00 0.00 H new ATOM 0 HA LEU A 73 5.042 3.248 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.918 1.363 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.624 2.503 4.094 1.00 0.00 H new ATOM 0 HG LEU A 73 4.495 0.125 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.137 -0.544 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.141 -0.335 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.142 0.919 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.186 0.808 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.273 2.325 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.676 1.999 3.058 1.00 0.00 H new ATOM 908 N LYS A 74 3.994 5.188 5.387 1.00 0.00 N ATOM 909 CA LYS A 74 3.391 6.383 5.944 1.00 0.00 C ATOM 910 C LYS A 74 2.216 6.793 5.069 1.00 0.00 C ATOM 911 O LYS A 74 2.403 7.296 3.958 1.00 0.00 O ATOM 912 CB LYS A 74 4.421 7.518 6.007 1.00 0.00 C ATOM 913 CG LYS A 74 5.731 7.162 6.707 1.00 0.00 C ATOM 914 CD LYS A 74 5.588 7.094 8.224 1.00 0.00 C ATOM 915 CE LYS A 74 4.964 5.788 8.694 1.00 0.00 C ATOM 916 NZ LYS A 74 4.725 5.782 10.161 1.00 0.00 N ATOM 0 H LYS A 74 4.589 5.361 4.577 1.00 0.00 H new ATOM 0 HA LYS A 74 3.044 6.179 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.646 7.841 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.972 8.368 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.087 6.201 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.488 7.903 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.570 7.210 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.976 7.929 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.020 5.628 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.619 4.958 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.299 4.875 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.628 5.908 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.080 6.558 10.411 1.00 0.00 H new ATOM 930 N CYS A 75 1.007 6.558 5.548 1.00 0.00 N ATOM 931 CA CYS A 75 -0.176 6.834 4.752 1.00 0.00 C ATOM 932 C CYS A 75 -0.869 8.100 5.236 1.00 0.00 C ATOM 933 O CYS A 75 -0.802 8.448 6.418 1.00 0.00 O ATOM 934 CB CYS A 75 -1.146 5.654 4.814 1.00 0.00 C ATOM 935 SG CYS A 75 -0.341 4.018 4.902 1.00 0.00 S ATOM 0 H CYS A 75 0.819 6.180 6.476 1.00 0.00 H new ATOM 0 HA CYS A 75 0.138 6.982 3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.791 5.775 5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.789 5.682 3.934 1.00 0.00 H new ATOM 940 N THR A 76 -1.519 8.791 4.316 1.00 0.00 N ATOM 941 CA THR A 76 -2.274 9.983 4.642 1.00 0.00 C ATOM 942 C THR A 76 -3.695 9.852 4.097 1.00 0.00 C ATOM 943 O THR A 76 -3.927 9.099 3.144 1.00 0.00 O ATOM 944 CB THR A 76 -1.597 11.254 4.070 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.236 12.431 4.578 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.644 11.270 2.548 1.00 0.00 C ATOM 0 H THR A 76 -1.537 8.541 3.327 1.00 0.00 H new ATOM 0 HA THR A 76 -2.306 10.084 5.727 1.00 0.00 H new ATOM 0 HB THR A 76 -0.554 11.240 4.385 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.797 13.226 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.161 12.175 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.123 10.395 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.682 11.252 2.216 1.00 0.00 H new ATOM 954 N ASN A 77 -4.632 10.572 4.709 1.00 0.00 N ATOM 955 CA ASN A 77 -6.044 10.515 4.329 1.00 0.00 C ATOM 956 C ASN A 77 -6.606 9.113 4.518 1.00 0.00 C ATOM 957 O ASN A 77 -7.216 8.559 3.608 1.00 0.00 O ATOM 958 CB ASN A 77 -6.246 10.966 2.876 1.00 0.00 C ATOM 959 CG ASN A 77 -6.068 12.457 2.691 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.369 13.247 3.586 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.572 12.854 1.530 1.00 0.00 N ATOM 0 H ASN A 77 -4.436 11.210 5.480 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.584 11.199 4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.539 10.439 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.246 10.681 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.426 13.847 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.336 12.166 0.815 1.00 0.00 H new ATOM 968 N LEU A 78 -6.393 8.550 5.702 1.00 0.00 N ATOM 969 CA LEU A 78 -6.910 7.226 6.030 1.00 0.00 C ATOM 970 C LEU A 78 -8.431 7.263 6.129 1.00 0.00 C ATOM 971 O LEU A 78 -9.006 8.216 6.666 1.00 0.00 O ATOM 972 CB LEU A 78 -6.319 6.738 7.356 1.00 0.00 C ATOM 973 CG LEU A 78 -4.796 6.597 7.376 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.308 6.260 8.777 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.342 5.535 6.389 1.00 0.00 C ATOM 0 H LEU A 78 -5.864 8.992 6.454 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.621 6.537 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.614 7.431 8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.761 5.772 7.599 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.363 7.552 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.222 6.164 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.598 7.055 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.754 5.320 9.101 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.256 5.451 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.788 4.577 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.656 5.815 5.383 1.00 0.00 H new ATOM 987 N ALA A 79 -9.081 6.223 5.627 1.00 0.00 N ATOM 988 CA ALA A 79 -10.535 6.175 5.609 1.00 0.00 C ATOM 989 C ALA A 79 -11.065 5.547 6.889 1.00 0.00 C ATOM 990 O ALA A 79 -11.241 4.333 6.968 1.00 0.00 O ATOM 991 CB ALA A 79 -11.038 5.419 4.381 1.00 0.00 C ATOM 0 H ALA A 79 -8.625 5.403 5.227 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.911 7.197 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.128 5.396 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.692 5.921 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.653 4.399 4.399 1.00 0.00 H new ATOM 997 N ALA A 80 -11.300 6.393 7.890 1.00 0.00 N ATOM 998 CA ALA A 80 -11.784 5.963 9.201 1.00 0.00 C ATOM 999 C ALA A 80 -10.780 5.041 9.887 1.00 0.00 C ATOM 1000 O ALA A 80 -9.908 5.501 10.628 1.00 0.00 O ATOM 1001 CB ALA A 80 -13.154 5.298 9.093 1.00 0.00 C ATOM 0 H ALA A 80 -11.160 7.400 7.815 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.893 6.854 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.488 4.989 10.084 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.870 6.005 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.084 4.424 8.445 1.00 0.00 H new ATOM 1007 N GLY A 81 -10.892 3.750 9.620 1.00 0.00 N ATOM 1008 CA GLY A 81 -9.985 2.788 10.204 1.00 0.00 C ATOM 1009 C GLY A 81 -9.232 2.007 9.150 1.00 0.00 C ATOM 1010 O GLY A 81 -8.429 1.135 9.473 1.00 0.00 O ATOM 0 H GLY A 81 -11.600 3.350 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.274 3.305 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.545 2.098 10.835 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.490 2.318 7.886 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.829 1.634 6.786 1.00 0.00 C ATOM 1016 C PHE A 82 -7.460 2.246 6.541 1.00 0.00 C ATOM 1017 O PHE A 82 -7.332 3.463 6.365 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.680 1.695 5.515 1.00 0.00 C ATOM 1019 CG PHE A 82 -11.061 1.124 5.693 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -11.235 -0.180 6.128 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.183 1.895 5.436 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -12.501 -0.703 6.302 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.451 1.377 5.610 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.611 0.077 6.044 1.00 0.00 C ATOM 0 H PHE A 82 -10.152 3.039 7.599 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.703 0.585 7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.763 2.733 5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.170 1.152 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.371 -0.794 6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.064 2.913 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.623 -1.722 6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.317 1.989 5.406 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.602 -0.330 6.182 1.00 0.00 H new ATOM 1034 N SER A 83 -6.439 1.401 6.544 1.00 0.00 N ATOM 1035 CA SER A 83 -5.063 1.850 6.427 1.00 0.00 C ATOM 1036 C SER A 83 -4.242 0.815 5.669 1.00 0.00 C ATOM 1037 O SER A 83 -4.773 -0.196 5.219 1.00 0.00 O ATOM 1038 CB SER A 83 -4.474 2.078 7.822 1.00 0.00 C ATOM 1039 OG SER A 83 -5.265 2.994 8.561 1.00 0.00 O ATOM 0 H SER A 83 -6.542 0.390 6.627 1.00 0.00 H new ATOM 0 HA SER A 83 -5.036 2.789 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.415 1.129 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.456 2.458 7.734 1.00 0.00 H new ATOM 0 HG SER A 83 -4.871 3.124 9.449 1.00 0.00 H new ATOM 1045 N ALA A 84 -2.954 1.068 5.525 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.074 0.146 4.827 1.00 0.00 C ATOM 1047 C ALA A 84 -1.281 -0.691 5.823 1.00 0.00 C ATOM 1048 O ALA A 84 -1.315 -0.437 7.028 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.136 0.909 3.904 1.00 0.00 C ATOM 0 H ALA A 84 -2.493 1.905 5.882 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.683 -0.526 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.482 0.206 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.720 1.467 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.532 1.602 4.490 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.578 -1.689 5.313 1.00 0.00 N ATOM 1056 CA GLY A 85 0.201 -2.566 6.161 1.00 0.00 C ATOM 1057 C GLY A 85 1.663 -2.595 5.767 1.00 0.00 C ATOM 1058 O GLY A 85 2.232 -1.571 5.404 1.00 0.00 O ATOM 0 H GLY A 85 -0.533 -1.909 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.112 -2.239 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.207 -3.575 6.109 1.00 0.00 H new ATOM 1062 N THR A 86 2.266 -3.768 5.827 1.00 0.00 N ATOM 1063 CA THR A 86 3.676 -3.919 5.507 1.00 0.00 C ATOM 1064 C THR A 86 3.855 -4.298 4.033 1.00 0.00 C ATOM 1065 O THR A 86 2.876 -4.448 3.294 1.00 0.00 O ATOM 1066 CB THR A 86 4.327 -4.988 6.413 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.745 -5.033 6.203 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.729 -6.360 6.146 1.00 0.00 C ATOM 0 H THR A 86 1.800 -4.635 6.096 1.00 0.00 H new ATOM 0 HA THR A 86 4.170 -2.964 5.685 1.00 0.00 H new ATOM 0 HB THR A 86 4.129 -4.712 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.141 -5.714 6.786 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.203 -7.096 6.795 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.658 -6.335 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.897 -6.634 5.104 1.00 0.00 H new ATOM 1076 N SER A 87 5.102 -4.442 3.610 1.00 0.00 N ATOM 1077 CA SER A 87 5.409 -4.835 2.246 1.00 0.00 C ATOM 1078 C SER A 87 5.986 -6.247 2.243 1.00 0.00 C ATOM 1079 O SER A 87 6.737 -6.621 3.144 1.00 0.00 O ATOM 1080 CB SER A 87 6.398 -3.847 1.627 1.00 0.00 C ATOM 1081 OG SER A 87 5.883 -2.524 1.664 1.00 0.00 O ATOM 0 H SER A 87 5.922 -4.291 4.198 1.00 0.00 H new ATOM 0 HA SER A 87 4.497 -4.825 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.345 -3.888 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.606 -4.132 0.596 1.00 0.00 H new ATOM 0 HG SER A 87 6.253 -2.008 0.917 1.00 0.00 H new ATOM 1087 N THR A 88 5.635 -7.031 1.236 1.00 0.00 N ATOM 1088 CA THR A 88 5.996 -8.441 1.219 1.00 0.00 C ATOM 1089 C THR A 88 6.386 -8.921 -0.173 1.00 0.00 C ATOM 1090 O THR A 88 6.755 -8.122 -1.036 1.00 0.00 O ATOM 1091 CB THR A 88 4.820 -9.291 1.718 1.00 0.00 C ATOM 1092 OG1 THR A 88 3.631 -8.915 1.016 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.609 -9.121 3.214 1.00 0.00 C ATOM 0 H THR A 88 5.103 -6.718 0.424 1.00 0.00 H new ATOM 0 HA THR A 88 6.859 -8.554 1.875 1.00 0.00 H new ATOM 0 HB THR A 88 5.049 -10.339 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.869 -8.366 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.769 -9.736 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.509 -9.430 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.398 -8.075 3.435 1.00 0.00 H new ATOM 1101 N ASP A 89 6.307 -10.243 -0.355 1.00 0.00 N ATOM 1102 CA ASP A 89 6.510 -10.909 -1.645 1.00 0.00 C ATOM 1103 C ASP A 89 7.924 -10.708 -2.173 1.00 0.00 C ATOM 1104 O ASP A 89 8.790 -11.554 -1.977 1.00 0.00 O ATOM 1105 CB ASP A 89 5.474 -10.434 -2.669 1.00 0.00 C ATOM 1106 CG ASP A 89 5.459 -11.268 -3.934 1.00 0.00 C ATOM 1107 OD1 ASP A 89 4.957 -12.410 -3.880 1.00 0.00 O ATOM 1108 OD2 ASP A 89 5.923 -10.777 -4.984 1.00 0.00 O ATOM 0 H ASP A 89 6.096 -10.891 0.404 1.00 0.00 H new ATOM 0 HA ASP A 89 6.374 -11.978 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.484 -10.459 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.679 -9.395 -2.929 1.00 0.00 H new ATOM 1113 N VAL A 90 8.162 -9.570 -2.803 1.00 0.00 N ATOM 1114 CA VAL A 90 9.455 -9.283 -3.398 1.00 0.00 C ATOM 1115 C VAL A 90 10.514 -9.032 -2.325 1.00 0.00 C ATOM 1116 O VAL A 90 11.673 -9.416 -2.481 1.00 0.00 O ATOM 1117 CB VAL A 90 9.363 -8.076 -4.354 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.627 -8.469 -5.621 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.656 -6.909 -3.680 1.00 0.00 C ATOM 0 H VAL A 90 7.472 -8.827 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 90 9.756 -10.159 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 90 10.375 -7.764 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.568 -7.610 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.163 -9.278 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.620 -8.802 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.602 -6.068 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.648 -7.210 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.211 -6.612 -2.790 1.00 0.00 H new ATOM 1129 N LEU A 91 10.105 -8.395 -1.233 1.00 0.00 N ATOM 1130 CA LEU A 91 11.031 -8.084 -0.144 1.00 0.00 C ATOM 1131 C LEU A 91 11.096 -9.204 0.874 1.00 0.00 C ATOM 1132 O LEU A 91 12.165 -9.726 1.179 1.00 0.00 O ATOM 1133 CB LEU A 91 10.608 -6.806 0.577 1.00 0.00 C ATOM 1134 CG LEU A 91 10.355 -5.613 -0.327 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.315 -4.335 0.488 1.00 0.00 C ATOM 1136 CD2 LEU A 91 11.415 -5.553 -1.407 1.00 0.00 C ATOM 0 H LEU A 91 9.146 -8.085 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 91 12.014 -7.954 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 91 9.701 -7.011 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.382 -6.540 1.297 1.00 0.00 H new ATOM 0 HG LEU A 91 9.385 -5.725 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.133 -3.488 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.515 -4.399 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.269 -4.199 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.228 -4.695 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.398 -5.454 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.383 -6.467 -2.000 1.00 0.00 H new ATOM 1148 N SER A 92 9.937 -9.558 1.392 1.00 0.00 N ATOM 1149 CA SER A 92 9.852 -10.487 2.516 1.00 0.00 C ATOM 1150 C SER A 92 10.156 -11.925 2.084 1.00 0.00 C ATOM 1151 O SER A 92 11.254 -12.430 2.319 1.00 0.00 O ATOM 1152 CB SER A 92 8.468 -10.391 3.168 1.00 0.00 C ATOM 1153 OG SER A 92 8.399 -11.149 4.359 1.00 0.00 O ATOM 0 H SER A 92 9.036 -9.219 1.056 1.00 0.00 H new ATOM 0 HA SER A 92 10.608 -10.206 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.240 -9.348 3.387 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.710 -10.743 2.468 1.00 0.00 H new ATOM 0 HG SER A 92 7.504 -11.064 4.749 1.00 0.00 H new ATOM 1159 N SER A 93 9.191 -12.574 1.439 1.00 0.00 N ATOM 1160 CA SER A 93 9.352 -13.958 1.008 1.00 0.00 C ATOM 1161 C SER A 93 8.486 -14.234 -0.214 1.00 0.00 C ATOM 1162 O SER A 93 8.988 -14.577 -1.283 1.00 0.00 O ATOM 1163 CB SER A 93 8.967 -14.924 2.138 1.00 0.00 C ATOM 1164 OG SER A 93 9.728 -14.684 3.311 1.00 0.00 O ATOM 0 H SER A 93 8.288 -12.162 1.203 1.00 0.00 H new ATOM 0 HA SER A 93 10.399 -14.114 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.906 -14.817 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.121 -15.951 1.808 1.00 0.00 H new ATOM 0 HG SER A 93 9.457 -15.314 4.011 1.00 0.00 H new ATOM 1170 N GLY A 94 7.181 -14.079 -0.041 1.00 0.00 N ATOM 1171 CA GLY A 94 6.249 -14.289 -1.126 1.00 0.00 C ATOM 1172 C GLY A 94 4.829 -14.006 -0.685 1.00 0.00 C ATOM 1173 O GLY A 94 4.587 -13.758 0.498 1.00 0.00 O ATOM 0 H GLY A 94 6.749 -13.808 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.509 -13.642 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.325 -15.317 -1.481 1.00 0.00 H new ATOM 1177 N THR A 95 3.903 -14.017 -1.629 1.00 0.00 N ATOM 1178 CA THR A 95 2.494 -13.814 -1.329 1.00 0.00 C ATOM 1179 C THR A 95 1.631 -14.725 -2.180 1.00 0.00 C ATOM 1180 O THR A 95 1.308 -15.853 -1.803 1.00 0.00 O ATOM 1181 CB THR A 95 2.052 -12.348 -1.556 1.00 0.00 C ATOM 1182 OG1 THR A 95 2.492 -11.876 -2.841 1.00 0.00 O ATOM 1183 CG2 THR A 95 2.578 -11.436 -0.463 1.00 0.00 C ATOM 0 H THR A 95 4.103 -14.166 -2.618 1.00 0.00 H new ATOM 0 HA THR A 95 2.363 -14.053 -0.274 1.00 0.00 H new ATOM 0 HB THR A 95 0.963 -12.327 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.345 -12.300 -3.071 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.250 -10.414 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.195 -11.767 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.667 -11.471 -0.453 1.00 0.00 H new ATOM 1191 N VAL A 96 1.320 -14.214 -3.347 1.00 0.00 N ATOM 1192 CA VAL A 96 0.475 -14.876 -4.326 1.00 0.00 C ATOM 1193 C VAL A 96 0.217 -13.922 -5.494 1.00 0.00 C ATOM 1194 O VAL A 96 -0.185 -14.333 -6.581 1.00 0.00 O ATOM 1195 CB VAL A 96 -0.877 -15.327 -3.710 1.00 0.00 C ATOM 1196 CG1 VAL A 96 -1.727 -14.127 -3.308 1.00 0.00 C ATOM 1197 CG2 VAL A 96 -1.636 -16.239 -4.665 1.00 0.00 C ATOM 0 H VAL A 96 1.654 -13.301 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 96 0.994 -15.769 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.657 -15.896 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.667 -14.474 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.190 -13.532 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.932 -13.516 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.579 -16.540 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.837 -15.706 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.036 -17.124 -4.876 1.00 0.00 H new ATOM 1207 N GLY A 97 0.498 -12.642 -5.261 1.00 0.00 N ATOM 1208 CA GLY A 97 0.200 -11.619 -6.244 1.00 0.00 C ATOM 1209 C GLY A 97 -1.002 -10.802 -5.835 1.00 0.00 C ATOM 1210 O GLY A 97 -1.787 -10.368 -6.678 1.00 0.00 O ATOM 0 H GLY A 97 0.929 -12.296 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.063 -10.965 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.014 -12.084 -7.212 1.00 0.00 H new ATOM 1214 N SER A 98 -1.118 -10.581 -4.531 1.00 0.00 N ATOM 1215 CA SER A 98 -2.275 -9.936 -3.937 1.00 0.00 C ATOM 1216 C SER A 98 -2.133 -9.967 -2.417 1.00 0.00 C ATOM 1217 O SER A 98 -1.457 -9.074 -1.857 1.00 0.00 O ATOM 1218 CB SER A 98 -3.572 -10.647 -4.362 1.00 0.00 C ATOM 1219 OG SER A 98 -4.722 -9.969 -3.880 1.00 0.00 O ATOM 1220 OXT SER A 98 -2.700 -10.880 -1.786 1.00 0.00 O ATOM 0 H SER A 98 -0.404 -10.848 -3.853 1.00 0.00 H new ATOM 0 HA SER A 98 -2.328 -8.904 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.614 -10.708 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.567 -11.670 -3.985 1.00 0.00 H new ATOM 0 HG SER A 98 -5.528 -10.446 -4.169 1.00 0.00 H new TER 1226 SER A 98