USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 41 GLN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.911 K(o=-0.91,f=-9.4!) USER MOD Set 2.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 170:sc= -0.12 USER MOD Single : A 25 ASN : amide:sc= -2.41 K(o=-2.4,f=-3.8!) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00468 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 45 LYS NZ :NH3+ -145:sc= 0.0213 (180deg=-0.201) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.17) USER MOD Single : A 48 GLN : amide:sc= -3.3 K(o=-3.3,f=-8.3!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 53 GLN : amide:sc= -0.702 K(o=-0.7,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc= -5.68! C(o=-5.7!,f=-8.1!) USER MOD Single : A 58 GLN : amide:sc= -2.05! C(o=-2.1!,f=-3.3!) USER MOD Single : A 66 TYR OH : rot -80:sc= -0.176 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.0129 (180deg=-0.225) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.518 4.504 -16.160 1.00 0.00 N ATOM 2 CA GLY A 1 -5.290 3.624 -17.017 1.00 0.00 C ATOM 3 C GLY A 1 -4.716 2.222 -17.077 1.00 0.00 C ATOM 4 O GLY A 1 -4.549 1.658 -18.158 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.951 5.449 -16.153 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.504 4.122 -15.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.544 4.572 -16.519 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.317 3.578 -16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.326 4.042 -18.023 1.00 0.00 H new ATOM 8 N SER A 2 -4.411 1.659 -15.912 1.00 0.00 N ATOM 9 CA SER A 2 -3.846 0.317 -15.836 1.00 0.00 C ATOM 10 C SER A 2 -4.663 -0.564 -14.896 1.00 0.00 C ATOM 11 O SER A 2 -5.209 -0.089 -13.900 1.00 0.00 O ATOM 12 CB SER A 2 -2.393 0.378 -15.362 1.00 0.00 C ATOM 13 OG SER A 2 -1.630 1.259 -16.168 1.00 0.00 O ATOM 0 H SER A 2 -4.546 2.112 -15.008 1.00 0.00 H new ATOM 0 HA SER A 2 -3.877 -0.120 -16.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.359 0.709 -14.324 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.955 -0.620 -15.393 1.00 0.00 H new ATOM 0 HG SER A 2 -0.706 1.282 -15.843 1.00 0.00 H new ATOM 19 N SER A 3 -4.744 -1.850 -15.221 1.00 0.00 N ATOM 20 CA SER A 3 -5.497 -2.798 -14.409 1.00 0.00 C ATOM 21 C SER A 3 -5.215 -2.586 -12.924 1.00 0.00 C ATOM 22 O SER A 3 -4.116 -2.859 -12.445 1.00 0.00 O ATOM 23 CB SER A 3 -5.147 -4.234 -14.806 1.00 0.00 C ATOM 24 OG SER A 3 -6.118 -5.147 -14.326 1.00 0.00 O ATOM 0 H SER A 3 -4.297 -2.259 -16.041 1.00 0.00 H new ATOM 0 HA SER A 3 -6.559 -2.628 -14.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.079 -4.308 -15.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.167 -4.497 -14.406 1.00 0.00 H new ATOM 0 HG SER A 3 -5.872 -6.057 -14.594 1.00 0.00 H new ATOM 30 N GLY A 4 -6.218 -2.097 -12.202 1.00 0.00 N ATOM 31 CA GLY A 4 -6.060 -1.855 -10.780 1.00 0.00 C ATOM 32 C GLY A 4 -7.388 -1.719 -10.063 1.00 0.00 C ATOM 33 O GLY A 4 -7.549 -0.857 -9.198 1.00 0.00 O ATOM 0 H GLY A 4 -7.138 -1.864 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.493 -2.674 -10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.476 -0.946 -10.632 1.00 0.00 H new ATOM 37 N SER A 5 -8.344 -2.569 -10.424 1.00 0.00 N ATOM 38 CA SER A 5 -9.667 -2.536 -9.813 1.00 0.00 C ATOM 39 C SER A 5 -9.596 -2.931 -8.341 1.00 0.00 C ATOM 40 O SER A 5 -9.961 -2.153 -7.459 1.00 0.00 O ATOM 41 CB SER A 5 -10.620 -3.472 -10.559 1.00 0.00 C ATOM 42 OG SER A 5 -11.111 -2.864 -11.741 1.00 0.00 O ATOM 0 H SER A 5 -8.227 -3.289 -11.137 1.00 0.00 H new ATOM 0 HA SER A 5 -10.045 -1.516 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.103 -4.398 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.454 -3.739 -9.910 1.00 0.00 H new ATOM 0 HG SER A 5 -11.716 -3.483 -12.200 1.00 0.00 H new ATOM 48 N SER A 6 -9.124 -4.147 -8.083 1.00 0.00 N ATOM 49 CA SER A 6 -9.008 -4.649 -6.719 1.00 0.00 C ATOM 50 C SER A 6 -7.976 -3.847 -5.931 1.00 0.00 C ATOM 51 O SER A 6 -6.884 -3.567 -6.423 1.00 0.00 O ATOM 52 CB SER A 6 -8.622 -6.129 -6.729 1.00 0.00 C ATOM 53 OG SER A 6 -8.276 -6.574 -5.429 1.00 0.00 O ATOM 0 H SER A 6 -8.816 -4.803 -8.801 1.00 0.00 H new ATOM 0 HA SER A 6 -9.977 -4.537 -6.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.453 -6.722 -7.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.782 -6.284 -7.406 1.00 0.00 H new ATOM 0 HG SER A 6 -8.035 -7.523 -5.462 1.00 0.00 H new ATOM 59 N GLY A 7 -8.332 -3.481 -4.704 1.00 0.00 N ATOM 60 CA GLY A 7 -7.427 -2.715 -3.866 1.00 0.00 C ATOM 61 C GLY A 7 -8.160 -1.777 -2.928 1.00 0.00 C ATOM 62 O GLY A 7 -9.301 -1.393 -3.189 1.00 0.00 O ATOM 0 H GLY A 7 -9.231 -3.701 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.810 -3.399 -3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.752 -2.138 -4.498 1.00 0.00 H new ATOM 66 N ILE A 8 -7.505 -1.407 -1.833 1.00 0.00 N ATOM 67 CA ILE A 8 -8.102 -0.509 -0.852 1.00 0.00 C ATOM 68 C ILE A 8 -7.703 0.939 -1.119 1.00 0.00 C ATOM 69 O ILE A 8 -6.745 1.205 -1.845 1.00 0.00 O ATOM 70 CB ILE A 8 -7.690 -0.887 0.582 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.187 -0.674 0.778 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.069 -2.330 0.879 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.802 -0.360 2.207 1.00 0.00 C ATOM 0 H ILE A 8 -6.560 -1.715 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.183 -0.610 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.223 -0.241 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.656 -1.570 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.857 0.141 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.771 -2.582 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.147 -2.452 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.560 -2.991 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.723 -0.222 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.305 0.553 2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.101 -1.185 2.854 1.00 0.00 H new ATOM 85 N GLN A 9 -8.443 1.869 -0.525 1.00 0.00 N ATOM 86 CA GLN A 9 -8.165 3.290 -0.698 1.00 0.00 C ATOM 87 C GLN A 9 -7.599 3.894 0.583 1.00 0.00 C ATOM 88 O GLN A 9 -8.103 3.640 1.677 1.00 0.00 O ATOM 89 CB GLN A 9 -9.437 4.034 -1.107 1.00 0.00 C ATOM 90 CG GLN A 9 -9.262 5.542 -1.186 1.00 0.00 C ATOM 91 CD GLN A 9 -10.559 6.265 -1.492 1.00 0.00 C ATOM 92 OE1 GLN A 9 -11.358 6.536 -0.595 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.774 6.583 -2.763 1.00 0.00 N ATOM 0 H GLN A 9 -9.239 1.665 0.080 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.421 3.395 -1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.768 3.664 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.227 3.805 -0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.861 5.907 -0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.528 5.779 -1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.084 6.339 -3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.629 7.072 -3.029 1.00 0.00 H new ATOM 102 N VAL A 10 -6.547 4.694 0.440 1.00 0.00 N ATOM 103 CA VAL A 10 -5.912 5.335 1.586 1.00 0.00 C ATOM 104 C VAL A 10 -5.693 6.822 1.332 1.00 0.00 C ATOM 105 O VAL A 10 -5.219 7.217 0.266 1.00 0.00 O ATOM 106 CB VAL A 10 -4.560 4.677 1.919 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.765 3.251 2.406 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.640 4.708 0.707 1.00 0.00 C ATOM 0 H VAL A 10 -6.116 4.914 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.587 5.210 2.433 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.087 5.244 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.799 2.803 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.385 3.258 3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.259 2.668 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.689 4.239 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.105 4.165 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.467 5.742 0.408 1.00 0.00 H new ATOM 118 N PHE A 11 -6.040 7.642 2.318 1.00 0.00 N ATOM 119 CA PHE A 11 -5.881 9.087 2.202 1.00 0.00 C ATOM 120 C PHE A 11 -4.563 9.541 2.821 1.00 0.00 C ATOM 121 O PHE A 11 -4.372 9.455 4.034 1.00 0.00 O ATOM 122 CB PHE A 11 -7.050 9.806 2.878 1.00 0.00 C ATOM 123 CG PHE A 11 -8.397 9.333 2.411 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.846 9.632 1.134 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.214 8.590 3.247 1.00 0.00 C ATOM 126 CE1 PHE A 11 -10.084 9.197 0.700 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.453 8.153 2.819 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.889 8.458 1.544 1.00 0.00 C ATOM 0 H PHE A 11 -6.433 7.331 3.206 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.871 9.342 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.978 9.665 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.965 10.876 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.221 10.212 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.879 8.349 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.421 9.435 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.080 7.574 3.481 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.858 8.119 1.208 1.00 0.00 H new ATOM 138 N VAL A 12 -3.655 10.025 1.979 1.00 0.00 N ATOM 139 CA VAL A 12 -2.355 10.493 2.442 1.00 0.00 C ATOM 140 C VAL A 12 -2.372 11.996 2.701 1.00 0.00 C ATOM 141 O VAL A 12 -2.386 12.798 1.768 1.00 0.00 O ATOM 142 CB VAL A 12 -1.246 10.172 1.422 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.050 10.870 1.804 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.040 8.669 1.316 1.00 0.00 C ATOM 0 H VAL A 12 -3.797 10.103 0.972 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.144 9.969 3.374 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.556 10.544 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.821 10.631 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.110 11.948 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.369 10.532 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.253 8.460 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.752 8.272 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.967 8.197 0.991 1.00 0.00 H new ATOM 154 N LYS A 13 -2.371 12.371 3.976 1.00 0.00 N ATOM 155 CA LYS A 13 -2.384 13.777 4.361 1.00 0.00 C ATOM 156 C LYS A 13 -0.970 14.349 4.381 1.00 0.00 C ATOM 157 O LYS A 13 -0.190 14.066 5.289 1.00 0.00 O ATOM 158 CB LYS A 13 -3.034 13.945 5.736 1.00 0.00 C ATOM 159 CG LYS A 13 -3.365 15.386 6.081 1.00 0.00 C ATOM 160 CD LYS A 13 -4.316 15.473 7.262 1.00 0.00 C ATOM 161 CE LYS A 13 -4.493 16.909 7.731 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.545 17.621 6.954 1.00 0.00 N ATOM 0 H LYS A 13 -2.361 11.720 4.761 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.968 14.325 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.948 13.353 5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.365 13.543 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.447 15.926 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.813 15.874 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.284 15.059 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.935 14.865 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.756 16.916 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.547 17.442 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.635 18.596 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.282 17.637 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.454 17.128 7.067 1.00 0.00 H new ATOM 176 N ASN A 14 -0.649 15.156 3.376 1.00 0.00 N ATOM 177 CA ASN A 14 0.671 15.769 3.279 1.00 0.00 C ATOM 178 C ASN A 14 0.848 16.850 4.341 1.00 0.00 C ATOM 179 O ASN A 14 -0.109 17.495 4.772 1.00 0.00 O ATOM 180 CB ASN A 14 0.878 16.368 1.887 1.00 0.00 C ATOM 181 CG ASN A 14 -0.143 17.440 1.561 1.00 0.00 C ATOM 182 OD1 ASN A 14 -0.817 17.962 2.449 1.00 0.00 O ATOM 183 ND2 ASN A 14 -0.263 17.774 0.281 1.00 0.00 N ATOM 0 H ASN A 14 -1.285 15.401 2.617 1.00 0.00 H new ATOM 0 HA ASN A 14 1.417 14.993 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.880 16.793 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.819 15.575 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.934 18.489 0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.316 17.315 -0.422 1.00 0.00 H new ATOM 190 N PRO A 15 2.100 17.056 4.774 1.00 0.00 N ATOM 191 CA PRO A 15 2.432 18.059 5.790 1.00 0.00 C ATOM 192 C PRO A 15 2.274 19.484 5.271 1.00 0.00 C ATOM 193 O PRO A 15 2.498 20.449 6.002 1.00 0.00 O ATOM 194 CB PRO A 15 3.900 17.767 6.111 1.00 0.00 C ATOM 195 CG PRO A 15 4.433 17.110 4.884 1.00 0.00 C ATOM 196 CD PRO A 15 3.289 16.324 4.305 1.00 0.00 C ATOM 0 HA PRO A 15 1.772 17.996 6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.445 18.683 6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.993 17.117 6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.798 17.850 4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.273 16.458 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.336 16.289 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.291 15.293 4.658 1.00 0.00 H new ATOM 204 N ASP A 16 1.888 19.608 4.006 1.00 0.00 N ATOM 205 CA ASP A 16 1.698 20.916 3.389 1.00 0.00 C ATOM 206 C ASP A 16 0.254 21.384 3.541 1.00 0.00 C ATOM 207 O ASP A 16 -0.019 22.583 3.589 1.00 0.00 O ATOM 208 CB ASP A 16 2.078 20.865 1.909 1.00 0.00 C ATOM 209 CG ASP A 16 3.567 20.678 1.699 1.00 0.00 C ATOM 210 OD1 ASP A 16 4.348 21.497 2.228 1.00 0.00 O ATOM 211 OD2 ASP A 16 3.953 19.714 1.005 1.00 0.00 O ATOM 0 H ASP A 16 1.700 18.819 3.388 1.00 0.00 H new ATOM 0 HA ASP A 16 2.347 21.629 3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.541 20.048 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.759 21.787 1.423 1.00 0.00 H new ATOM 216 N GLY A 17 -0.668 20.429 3.616 1.00 0.00 N ATOM 217 CA GLY A 17 -2.073 20.763 3.761 1.00 0.00 C ATOM 218 C GLY A 17 -2.931 20.142 2.677 1.00 0.00 C ATOM 219 O GLY A 17 -3.081 20.706 1.594 1.00 0.00 O ATOM 0 H GLY A 17 -0.467 19.430 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.425 20.426 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.190 21.846 3.737 1.00 0.00 H new ATOM 223 N GLY A 18 -3.496 18.974 2.968 1.00 0.00 N ATOM 224 CA GLY A 18 -4.335 18.294 1.999 1.00 0.00 C ATOM 225 C GLY A 18 -4.166 16.788 2.042 1.00 0.00 C ATOM 226 O GLY A 18 -3.226 16.279 2.652 1.00 0.00 O ATOM 0 H GLY A 18 -3.387 18.487 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.379 18.545 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.096 18.655 0.999 1.00 0.00 H new ATOM 230 N SER A 19 -5.081 16.073 1.394 1.00 0.00 N ATOM 231 CA SER A 19 -5.032 14.616 1.365 1.00 0.00 C ATOM 232 C SER A 19 -5.486 14.084 0.009 1.00 0.00 C ATOM 233 O SER A 19 -6.413 14.617 -0.601 1.00 0.00 O ATOM 234 CB SER A 19 -5.911 14.033 2.474 1.00 0.00 C ATOM 235 OG SER A 19 -5.421 12.775 2.905 1.00 0.00 O ATOM 0 H SER A 19 -5.865 16.479 0.883 1.00 0.00 H new ATOM 0 HA SER A 19 -3.999 14.308 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.943 14.723 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.934 13.924 2.112 1.00 0.00 H new ATOM 0 HG SER A 19 -5.897 12.499 3.716 1.00 0.00 H new ATOM 241 N TYR A 20 -4.826 13.030 -0.456 1.00 0.00 N ATOM 242 CA TYR A 20 -5.158 12.426 -1.741 1.00 0.00 C ATOM 243 C TYR A 20 -5.547 10.960 -1.570 1.00 0.00 C ATOM 244 O TYR A 20 -5.025 10.266 -0.699 1.00 0.00 O ATOM 245 CB TYR A 20 -3.976 12.542 -2.704 1.00 0.00 C ATOM 246 CG TYR A 20 -3.305 13.897 -2.679 1.00 0.00 C ATOM 247 CD1 TYR A 20 -4.045 15.063 -2.829 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.932 14.011 -2.504 1.00 0.00 C ATOM 249 CE1 TYR A 20 -3.437 16.303 -2.808 1.00 0.00 C ATOM 250 CE2 TYR A 20 -1.315 15.247 -2.480 1.00 0.00 C ATOM 251 CZ TYR A 20 -2.071 16.390 -2.633 1.00 0.00 C ATOM 252 OH TYR A 20 -1.462 17.623 -2.609 1.00 0.00 O ATOM 0 H TYR A 20 -4.058 12.576 0.038 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.010 12.964 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.240 11.777 -2.456 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.322 12.336 -3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.115 14.999 -2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.336 13.118 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.027 17.199 -2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.246 15.318 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.498 17.509 -2.476 1.00 0.00 H new ATOM 262 N ALA A 21 -6.467 10.497 -2.410 1.00 0.00 N ATOM 263 CA ALA A 21 -6.925 9.115 -2.355 1.00 0.00 C ATOM 264 C ALA A 21 -6.037 8.208 -3.201 1.00 0.00 C ATOM 265 O ALA A 21 -6.074 8.259 -4.431 1.00 0.00 O ATOM 266 CB ALA A 21 -8.372 9.019 -2.815 1.00 0.00 C ATOM 0 H ALA A 21 -6.910 11.059 -3.137 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.862 8.779 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.700 7.981 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.001 9.628 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.452 9.379 -3.841 1.00 0.00 H new ATOM 272 N TYR A 22 -5.240 7.380 -2.535 1.00 0.00 N ATOM 273 CA TYR A 22 -4.341 6.465 -3.227 1.00 0.00 C ATOM 274 C TYR A 22 -4.980 5.089 -3.385 1.00 0.00 C ATOM 275 O TYR A 22 -5.936 4.752 -2.687 1.00 0.00 O ATOM 276 CB TYR A 22 -3.020 6.341 -2.464 1.00 0.00 C ATOM 277 CG TYR A 22 -2.107 7.534 -2.637 1.00 0.00 C ATOM 278 CD1 TYR A 22 -2.359 8.729 -1.974 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.992 7.466 -3.463 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.528 9.821 -2.130 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.155 8.553 -3.624 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.427 9.729 -2.955 1.00 0.00 C ATOM 283 OH TYR A 22 0.404 10.814 -3.112 1.00 0.00 O ATOM 0 H TYR A 22 -5.198 7.324 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.144 6.870 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.234 6.208 -1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.499 5.444 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.219 8.805 -1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.776 6.547 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.740 10.743 -1.608 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.708 8.483 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 22 1.132 10.582 -3.725 1.00 0.00 H new ATOM 293 N ALA A 23 -4.444 4.297 -4.308 1.00 0.00 N ATOM 294 CA ALA A 23 -4.959 2.956 -4.558 1.00 0.00 C ATOM 295 C ALA A 23 -3.855 1.912 -4.429 1.00 0.00 C ATOM 296 O ALA A 23 -2.924 1.877 -5.233 1.00 0.00 O ATOM 297 CB ALA A 23 -5.598 2.885 -5.936 1.00 0.00 C ATOM 0 H ALA A 23 -3.653 4.561 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.718 2.738 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.978 1.878 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.420 3.598 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.854 3.128 -6.695 1.00 0.00 H new ATOM 303 N ILE A 24 -3.966 1.063 -3.413 1.00 0.00 N ATOM 304 CA ILE A 24 -2.978 0.017 -3.180 1.00 0.00 C ATOM 305 C ILE A 24 -3.612 -1.202 -2.520 1.00 0.00 C ATOM 306 O ILE A 24 -4.434 -1.072 -1.614 1.00 0.00 O ATOM 307 CB ILE A 24 -1.821 0.522 -2.297 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.762 -0.570 -2.132 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.347 0.967 -0.940 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.598 -0.038 -1.741 1.00 0.00 C ATOM 0 H ILE A 24 -4.730 1.079 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.583 -0.266 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.358 1.380 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.097 -1.279 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.672 -1.122 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.518 1.321 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.068 1.773 -1.076 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.832 0.126 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.298 -0.867 -1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.955 0.648 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.523 0.489 -0.790 1.00 0.00 H new ATOM 322 N ASN A 25 -3.223 -2.387 -2.979 1.00 0.00 N ATOM 323 CA ASN A 25 -3.753 -3.631 -2.432 1.00 0.00 C ATOM 324 C ASN A 25 -3.202 -3.887 -1.032 1.00 0.00 C ATOM 325 O ASN A 25 -2.052 -3.575 -0.724 1.00 0.00 O ATOM 326 CB ASN A 25 -3.408 -4.804 -3.351 1.00 0.00 C ATOM 327 CG ASN A 25 -4.397 -4.956 -4.490 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.109 -4.014 -4.839 1.00 0.00 O ATOM 329 ND2 ASN A 25 -4.446 -6.147 -5.077 1.00 0.00 N ATOM 0 H ASN A 25 -2.543 -2.512 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.837 -3.538 -2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.407 -4.660 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.385 -5.725 -2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.092 -6.309 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.837 -6.900 -4.755 1.00 0.00 H new ATOM 336 N PRO A 26 -4.042 -4.471 -0.164 1.00 0.00 N ATOM 337 CA PRO A 26 -3.661 -4.784 1.216 1.00 0.00 C ATOM 338 C PRO A 26 -2.639 -5.913 1.294 1.00 0.00 C ATOM 339 O PRO A 26 -1.948 -6.069 2.300 1.00 0.00 O ATOM 340 CB PRO A 26 -4.982 -5.213 1.860 1.00 0.00 C ATOM 341 CG PRO A 26 -5.813 -5.705 0.726 1.00 0.00 C ATOM 342 CD PRO A 26 -5.427 -4.871 -0.463 1.00 0.00 C ATOM 0 HA PRO A 26 -3.186 -3.936 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.825 -5.994 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.463 -4.379 2.371 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.628 -6.763 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.875 -5.601 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.490 -5.440 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.080 -4.005 -0.576 1.00 0.00 H new ATOM 350 N ASN A 27 -2.549 -6.698 0.226 1.00 0.00 N ATOM 351 CA ASN A 27 -1.611 -7.814 0.174 1.00 0.00 C ATOM 352 C ASN A 27 -0.206 -7.327 -0.166 1.00 0.00 C ATOM 353 O ASN A 27 0.786 -7.955 0.204 1.00 0.00 O ATOM 354 CB ASN A 27 -2.070 -8.845 -0.859 1.00 0.00 C ATOM 355 CG ASN A 27 -3.423 -9.440 -0.521 1.00 0.00 C ATOM 356 OD1 ASN A 27 -3.783 -9.566 0.650 1.00 0.00 O ATOM 357 ND2 ASN A 27 -4.180 -9.809 -1.547 1.00 0.00 N ATOM 0 H ASN A 27 -3.114 -6.582 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.586 -8.282 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.118 -8.374 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.331 -9.644 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.101 -10.216 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.841 -9.686 -2.501 1.00 0.00 H new ATOM 364 N SER A 28 -0.129 -6.204 -0.874 1.00 0.00 N ATOM 365 CA SER A 28 1.155 -5.635 -1.267 1.00 0.00 C ATOM 366 C SER A 28 1.961 -5.216 -0.041 1.00 0.00 C ATOM 367 O SER A 28 1.495 -5.332 1.092 1.00 0.00 O ATOM 368 CB SER A 28 0.942 -4.431 -2.187 1.00 0.00 C ATOM 369 OG SER A 28 2.085 -4.195 -2.990 1.00 0.00 O ATOM 0 H SER A 28 -0.940 -5.671 -1.187 1.00 0.00 H new ATOM 0 HA SER A 28 1.715 -6.400 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.075 -4.605 -2.825 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.725 -3.546 -1.589 1.00 0.00 H new ATOM 0 HG SER A 28 1.923 -3.422 -3.570 1.00 0.00 H new ATOM 375 N PHE A 29 3.174 -4.727 -0.278 1.00 0.00 N ATOM 376 CA PHE A 29 4.047 -4.291 0.805 1.00 0.00 C ATOM 377 C PHE A 29 3.938 -2.784 1.020 1.00 0.00 C ATOM 378 O PHE A 29 3.771 -2.022 0.067 1.00 0.00 O ATOM 379 CB PHE A 29 5.499 -4.670 0.503 1.00 0.00 C ATOM 380 CG PHE A 29 5.672 -6.108 0.104 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.442 -7.126 1.015 1.00 0.00 C ATOM 382 CD2 PHE A 29 6.064 -6.441 -1.182 1.00 0.00 C ATOM 383 CE1 PHE A 29 5.601 -8.450 0.650 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.225 -7.763 -1.553 1.00 0.00 C ATOM 385 CZ PHE A 29 5.992 -8.768 -0.636 1.00 0.00 C ATOM 0 H PHE A 29 3.574 -4.623 -1.210 1.00 0.00 H new ATOM 0 HA PHE A 29 3.729 -4.794 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.874 -4.032 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.109 -4.469 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.135 -6.883 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.246 -5.658 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.420 -9.235 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.533 -8.009 -2.559 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.115 -9.802 -0.924 1.00 0.00 H new ATOM 395 N ILE A 30 4.032 -2.363 2.276 1.00 0.00 N ATOM 396 CA ILE A 30 3.944 -0.948 2.616 1.00 0.00 C ATOM 397 C ILE A 30 4.607 -0.084 1.548 1.00 0.00 C ATOM 398 O ILE A 30 3.991 0.835 1.007 1.00 0.00 O ATOM 399 CB ILE A 30 4.599 -0.654 3.978 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.782 -1.283 5.108 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.736 0.846 4.188 1.00 0.00 C ATOM 402 CD1 ILE A 30 2.420 -0.651 5.293 1.00 0.00 C ATOM 0 H ILE A 30 4.169 -2.981 3.076 1.00 0.00 H new ATOM 0 HA ILE A 30 2.884 -0.702 2.672 1.00 0.00 H new ATOM 0 HB ILE A 30 5.596 -1.095 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.656 -2.347 4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.342 -1.200 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.201 1.037 5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.356 1.269 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.749 1.309 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.897 -1.147 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.539 0.407 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.842 -0.757 4.375 1.00 0.00 H new ATOM 414 N LEU A 31 5.865 -0.387 1.249 1.00 0.00 N ATOM 415 CA LEU A 31 6.613 0.361 0.244 1.00 0.00 C ATOM 416 C LEU A 31 5.733 0.689 -0.958 1.00 0.00 C ATOM 417 O LEU A 31 5.699 1.827 -1.423 1.00 0.00 O ATOM 418 CB LEU A 31 7.837 -0.438 -0.209 1.00 0.00 C ATOM 419 CG LEU A 31 8.552 0.080 -1.457 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.564 1.153 -1.087 1.00 0.00 C ATOM 421 CD2 LEU A 31 9.232 -1.064 -2.195 1.00 0.00 C ATOM 0 H LEU A 31 6.389 -1.145 1.687 1.00 0.00 H new ATOM 0 HA LEU A 31 6.944 1.297 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.554 -0.463 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.527 -1.467 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 31 7.809 0.524 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.063 1.509 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.052 1.985 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.304 0.735 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.736 -0.677 -3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.963 -1.537 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.485 -1.799 -2.495 1.00 0.00 H new ATOM 433 N GLY A 32 5.020 -0.318 -1.455 1.00 0.00 N ATOM 434 CA GLY A 32 4.147 -0.116 -2.597 1.00 0.00 C ATOM 435 C GLY A 32 3.406 1.205 -2.533 1.00 0.00 C ATOM 436 O GLY A 32 3.268 1.898 -3.543 1.00 0.00 O ATOM 0 H GLY A 32 5.032 -1.269 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.737 -0.154 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.426 -0.932 -2.648 1.00 0.00 H new ATOM 440 N LEU A 33 2.925 1.556 -1.345 1.00 0.00 N ATOM 441 CA LEU A 33 2.192 2.802 -1.154 1.00 0.00 C ATOM 442 C LEU A 33 3.130 4.003 -1.230 1.00 0.00 C ATOM 443 O LEU A 33 2.934 4.907 -2.042 1.00 0.00 O ATOM 444 CB LEU A 33 1.469 2.790 0.194 1.00 0.00 C ATOM 445 CG LEU A 33 0.864 4.121 0.643 1.00 0.00 C ATOM 446 CD1 LEU A 33 -0.171 4.603 -0.362 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.244 3.985 2.026 1.00 0.00 C ATOM 0 H LEU A 33 3.030 0.995 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 33 1.456 2.888 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.672 2.048 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.172 2.457 0.958 1.00 0.00 H new ATOM 0 HG LEU A 33 1.662 4.862 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.591 5.551 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.302 4.740 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.967 3.864 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.182 4.941 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.542 3.230 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.011 3.686 2.741 1.00 0.00 H new ATOM 459 N LYS A 34 4.151 4.004 -0.380 1.00 0.00 N ATOM 460 CA LYS A 34 5.123 5.091 -0.352 1.00 0.00 C ATOM 461 C LYS A 34 5.646 5.389 -1.753 1.00 0.00 C ATOM 462 O LYS A 34 5.583 6.526 -2.220 1.00 0.00 O ATOM 463 CB LYS A 34 6.288 4.737 0.575 1.00 0.00 C ATOM 464 CG LYS A 34 5.869 4.504 2.017 1.00 0.00 C ATOM 465 CD LYS A 34 6.784 3.508 2.709 1.00 0.00 C ATOM 466 CE LYS A 34 7.963 4.202 3.373 1.00 0.00 C ATOM 467 NZ LYS A 34 9.149 3.307 3.472 1.00 0.00 N ATOM 0 H LYS A 34 4.327 3.264 0.299 1.00 0.00 H new ATOM 0 HA LYS A 34 4.623 5.982 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.781 3.840 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.023 5.541 0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.883 5.450 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.843 4.137 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.219 2.952 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.150 2.783 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.227 5.093 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.674 4.534 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.931 3.817 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.905 2.468 4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.440 3.010 2.519 1.00 0.00 H new ATOM 481 N GLN A 35 6.161 4.360 -2.418 1.00 0.00 N ATOM 482 CA GLN A 35 6.695 4.513 -3.767 1.00 0.00 C ATOM 483 C GLN A 35 5.790 5.402 -4.613 1.00 0.00 C ATOM 484 O GLN A 35 6.259 6.324 -5.281 1.00 0.00 O ATOM 485 CB GLN A 35 6.853 3.146 -4.433 1.00 0.00 C ATOM 486 CG GLN A 35 7.830 3.146 -5.599 1.00 0.00 C ATOM 487 CD GLN A 35 7.292 3.881 -6.811 1.00 0.00 C ATOM 488 OE1 GLN A 35 6.202 3.581 -7.299 1.00 0.00 O ATOM 489 NE2 GLN A 35 8.055 4.850 -7.303 1.00 0.00 N ATOM 0 H GLN A 35 6.220 3.412 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 35 7.673 4.988 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.189 2.425 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.879 2.808 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.766 3.608 -5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.060 2.117 -5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.951 5.065 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.745 5.380 -8.118 1.00 0.00 H new ATOM 498 N GLN A 36 4.491 5.119 -4.579 1.00 0.00 N ATOM 499 CA GLN A 36 3.521 5.894 -5.344 1.00 0.00 C ATOM 500 C GLN A 36 3.585 7.370 -4.968 1.00 0.00 C ATOM 501 O GLN A 36 3.404 8.245 -5.815 1.00 0.00 O ATOM 502 CB GLN A 36 2.109 5.356 -5.109 1.00 0.00 C ATOM 503 CG GLN A 36 1.727 4.221 -6.046 1.00 0.00 C ATOM 504 CD GLN A 36 0.286 3.782 -5.873 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.614 4.286 -6.546 1.00 0.00 O ATOM 506 NE2 GLN A 36 0.059 2.836 -4.969 1.00 0.00 N ATOM 0 H GLN A 36 4.087 4.360 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 36 3.768 5.797 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.028 5.009 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.394 6.170 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.885 4.537 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.386 3.371 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.834 2.446 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.891 2.500 -4.810 1.00 0.00 H new ATOM 515 N ILE A 37 3.842 7.640 -3.692 1.00 0.00 N ATOM 516 CA ILE A 37 3.930 9.011 -3.205 1.00 0.00 C ATOM 517 C ILE A 37 5.210 9.685 -3.687 1.00 0.00 C ATOM 518 O ILE A 37 5.231 10.889 -3.941 1.00 0.00 O ATOM 519 CB ILE A 37 3.883 9.065 -1.666 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.583 8.445 -1.152 1.00 0.00 C ATOM 521 CG2 ILE A 37 4.019 10.501 -1.183 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.681 7.925 0.266 1.00 0.00 C ATOM 0 H ILE A 37 3.993 6.928 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 37 3.068 9.545 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 37 4.719 8.488 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.789 9.190 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.295 7.627 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.984 10.523 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.970 10.911 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.201 11.099 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.723 7.499 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.452 7.156 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.939 8.744 0.937 1.00 0.00 H new ATOM 534 N GLU A 38 6.275 8.900 -3.814 1.00 0.00 N ATOM 535 CA GLU A 38 7.559 9.421 -4.267 1.00 0.00 C ATOM 536 C GLU A 38 7.524 9.729 -5.761 1.00 0.00 C ATOM 537 O GLU A 38 8.232 10.615 -6.241 1.00 0.00 O ATOM 538 CB GLU A 38 8.676 8.420 -3.967 1.00 0.00 C ATOM 539 CG GLU A 38 10.005 8.779 -4.612 1.00 0.00 C ATOM 540 CD GLU A 38 10.903 7.574 -4.808 1.00 0.00 C ATOM 541 OE1 GLU A 38 10.490 6.635 -5.521 1.00 0.00 O ATOM 542 OE2 GLU A 38 12.019 7.569 -4.248 1.00 0.00 O ATOM 0 H GLU A 38 6.274 7.901 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 38 7.757 10.347 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.812 8.353 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.370 7.432 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.820 9.251 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.519 9.513 -3.992 1.00 0.00 H new ATOM 549 N ASP A 39 6.696 8.990 -6.492 1.00 0.00 N ATOM 550 CA ASP A 39 6.567 9.183 -7.932 1.00 0.00 C ATOM 551 C ASP A 39 5.497 10.224 -8.247 1.00 0.00 C ATOM 552 O ASP A 39 5.551 10.888 -9.282 1.00 0.00 O ATOM 553 CB ASP A 39 6.226 7.859 -8.617 1.00 0.00 C ATOM 554 CG ASP A 39 6.766 7.783 -10.032 1.00 0.00 C ATOM 555 OD1 ASP A 39 6.378 8.633 -10.860 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.575 6.874 -10.310 1.00 0.00 O ATOM 0 H ASP A 39 6.104 8.252 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 39 7.523 9.544 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.633 7.035 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.144 7.732 -8.637 1.00 0.00 H new ATOM 561 N GLN A 40 4.527 10.358 -7.349 1.00 0.00 N ATOM 562 CA GLN A 40 3.443 11.317 -7.533 1.00 0.00 C ATOM 563 C GLN A 40 3.830 12.687 -6.986 1.00 0.00 C ATOM 564 O GLN A 40 3.545 13.714 -7.602 1.00 0.00 O ATOM 565 CB GLN A 40 2.172 10.820 -6.844 1.00 0.00 C ATOM 566 CG GLN A 40 1.365 9.844 -7.686 1.00 0.00 C ATOM 567 CD GLN A 40 0.804 10.482 -8.942 1.00 0.00 C ATOM 568 OE1 GLN A 40 -0.026 11.390 -8.873 1.00 0.00 O ATOM 569 NE2 GLN A 40 1.256 10.011 -10.098 1.00 0.00 N ATOM 0 H GLN A 40 4.469 9.815 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 40 3.254 11.413 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.443 10.339 -5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.545 11.676 -6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.997 9.000 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.545 9.446 -7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.944 9.258 -10.108 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.916 10.402 -10.976 1.00 0.00 H new ATOM 578 N GLN A 41 4.479 12.694 -5.827 1.00 0.00 N ATOM 579 CA GLN A 41 4.904 13.939 -5.197 1.00 0.00 C ATOM 580 C GLN A 41 6.350 14.264 -5.554 1.00 0.00 C ATOM 581 O GLN A 41 6.701 15.423 -5.770 1.00 0.00 O ATOM 582 CB GLN A 41 4.750 13.844 -3.678 1.00 0.00 C ATOM 583 CG GLN A 41 3.326 13.562 -3.227 1.00 0.00 C ATOM 584 CD GLN A 41 3.073 13.986 -1.793 1.00 0.00 C ATOM 585 OE1 GLN A 41 3.906 14.647 -1.173 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.918 13.607 -1.259 1.00 0.00 N ATOM 0 H GLN A 41 4.722 11.852 -5.305 1.00 0.00 H new ATOM 0 HA GLN A 41 4.268 14.742 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.404 13.056 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.087 14.778 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.631 14.084 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.121 12.496 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.257 13.060 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.692 13.863 -0.298 1.00 0.00 H new ATOM 595 N GLY A 42 7.186 13.232 -5.615 1.00 0.00 N ATOM 596 CA GLY A 42 8.586 13.429 -5.946 1.00 0.00 C ATOM 597 C GLY A 42 9.494 13.266 -4.744 1.00 0.00 C ATOM 598 O GLY A 42 10.703 13.080 -4.891 1.00 0.00 O ATOM 0 H GLY A 42 6.919 12.263 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.878 12.716 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.720 14.426 -6.366 1.00 0.00 H new ATOM 602 N LEU A 43 8.914 13.336 -3.551 1.00 0.00 N ATOM 603 CA LEU A 43 9.680 13.196 -2.318 1.00 0.00 C ATOM 604 C LEU A 43 10.163 11.761 -2.137 1.00 0.00 C ATOM 605 O LEU A 43 9.440 10.799 -2.395 1.00 0.00 O ATOM 606 CB LEU A 43 8.830 13.616 -1.117 1.00 0.00 C ATOM 607 CG LEU A 43 9.590 14.227 0.061 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.701 15.199 0.822 1.00 0.00 C ATOM 609 CD2 LEU A 43 10.105 13.136 0.988 1.00 0.00 C ATOM 0 H LEU A 43 7.915 13.489 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 43 10.552 13.847 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.087 14.337 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.286 12.742 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 43 10.446 14.777 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.258 15.624 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.381 15.999 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.826 14.671 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.643 13.590 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.264 12.558 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.777 12.478 0.437 1.00 0.00 H new ATOM 621 N PRO A 44 11.416 11.612 -1.681 1.00 0.00 N ATOM 622 CA PRO A 44 12.023 10.297 -1.452 1.00 0.00 C ATOM 623 C PRO A 44 11.400 9.568 -0.267 1.00 0.00 C ATOM 624 O PRO A 44 10.759 10.183 0.587 1.00 0.00 O ATOM 625 CB PRO A 44 13.490 10.629 -1.164 1.00 0.00 C ATOM 626 CG PRO A 44 13.466 12.024 -0.641 1.00 0.00 C ATOM 627 CD PRO A 44 12.335 12.714 -1.352 1.00 0.00 C ATOM 0 HA PRO A 44 11.881 9.630 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.916 9.940 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.097 10.555 -2.066 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.312 12.033 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.413 12.529 -0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.857 13.460 -0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.679 13.231 -2.248 1.00 0.00 H new ATOM 635 N LYS A 45 11.591 8.254 -0.219 1.00 0.00 N ATOM 636 CA LYS A 45 11.049 7.441 0.863 1.00 0.00 C ATOM 637 C LYS A 45 11.876 7.604 2.134 1.00 0.00 C ATOM 638 O LYS A 45 11.332 7.686 3.235 1.00 0.00 O ATOM 639 CB LYS A 45 11.012 5.967 0.451 1.00 0.00 C ATOM 640 CG LYS A 45 10.202 5.707 -0.806 1.00 0.00 C ATOM 641 CD LYS A 45 10.334 4.265 -1.266 1.00 0.00 C ATOM 642 CE LYS A 45 11.636 4.037 -2.019 1.00 0.00 C ATOM 643 NZ LYS A 45 11.506 4.370 -3.465 1.00 0.00 N ATOM 0 H LYS A 45 12.117 7.729 -0.917 1.00 0.00 H new ATOM 0 HA LYS A 45 10.034 7.781 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.032 5.617 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.595 5.380 1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.153 5.935 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.536 6.375 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.291 3.601 -0.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.491 4.008 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.424 4.646 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.940 2.996 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.089 3.716 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.511 4.281 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.827 5.346 -3.627 1.00 0.00 H new ATOM 657 N LYS A 46 13.194 7.653 1.974 1.00 0.00 N ATOM 658 CA LYS A 46 14.098 7.811 3.108 1.00 0.00 C ATOM 659 C LYS A 46 13.751 9.060 3.911 1.00 0.00 C ATOM 660 O LYS A 46 14.213 9.231 5.038 1.00 0.00 O ATOM 661 CB LYS A 46 15.547 7.888 2.624 1.00 0.00 C ATOM 662 CG LYS A 46 15.779 8.951 1.564 1.00 0.00 C ATOM 663 CD LYS A 46 17.256 9.272 1.409 1.00 0.00 C ATOM 664 CE LYS A 46 17.821 9.919 2.664 1.00 0.00 C ATOM 665 NZ LYS A 46 19.088 10.652 2.388 1.00 0.00 N ATOM 0 H LYS A 46 13.661 7.586 1.070 1.00 0.00 H new ATOM 0 HA LYS A 46 13.984 6.942 3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.196 8.089 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.839 6.917 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.378 8.608 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.235 9.857 1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.807 8.357 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.397 9.940 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.086 10.608 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.002 9.153 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.441 11.079 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.798 9.990 2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.911 11.400 1.688 1.00 0.00 H new ATOM 679 N GLN A 47 12.934 9.928 3.322 1.00 0.00 N ATOM 680 CA GLN A 47 12.526 11.161 3.985 1.00 0.00 C ATOM 681 C GLN A 47 11.098 11.050 4.510 1.00 0.00 C ATOM 682 O GLN A 47 10.818 11.413 5.652 1.00 0.00 O ATOM 683 CB GLN A 47 12.636 12.344 3.021 1.00 0.00 C ATOM 684 CG GLN A 47 14.069 12.718 2.679 1.00 0.00 C ATOM 685 CD GLN A 47 14.783 13.403 3.828 1.00 0.00 C ATOM 686 OE1 GLN A 47 15.680 12.829 4.447 1.00 0.00 O ATOM 687 NE2 GLN A 47 14.389 14.637 4.119 1.00 0.00 N ATOM 0 H GLN A 47 12.542 9.800 2.389 1.00 0.00 H new ATOM 0 HA GLN A 47 13.193 11.327 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.103 12.104 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.139 13.208 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.618 11.819 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.071 13.376 1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.642 15.074 3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.834 15.148 4.882 1.00 0.00 H new ATOM 696 N GLN A 48 10.201 10.546 3.669 1.00 0.00 N ATOM 697 CA GLN A 48 8.802 10.389 4.049 1.00 0.00 C ATOM 698 C GLN A 48 8.654 9.362 5.167 1.00 0.00 C ATOM 699 O GLN A 48 9.359 8.353 5.192 1.00 0.00 O ATOM 700 CB GLN A 48 7.967 9.966 2.839 1.00 0.00 C ATOM 701 CG GLN A 48 7.868 8.459 2.665 1.00 0.00 C ATOM 702 CD GLN A 48 7.204 8.066 1.360 1.00 0.00 C ATOM 703 OE1 GLN A 48 6.160 7.412 1.353 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.808 8.462 0.245 1.00 0.00 N ATOM 0 H GLN A 48 10.418 10.240 2.721 1.00 0.00 H new ATOM 0 HA GLN A 48 8.440 11.351 4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.963 10.379 2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.402 10.400 1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.867 8.026 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.304 8.037 3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.672 9.002 0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.408 8.226 -0.663 1.00 0.00 H new ATOM 713 N GLN A 49 7.735 9.627 6.089 1.00 0.00 N ATOM 714 CA GLN A 49 7.496 8.726 7.210 1.00 0.00 C ATOM 715 C GLN A 49 6.008 8.644 7.536 1.00 0.00 C ATOM 716 O GLN A 49 5.418 9.601 8.039 1.00 0.00 O ATOM 717 CB GLN A 49 8.274 9.192 8.442 1.00 0.00 C ATOM 718 CG GLN A 49 8.240 8.202 9.594 1.00 0.00 C ATOM 719 CD GLN A 49 9.014 8.688 10.804 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.784 9.644 10.720 1.00 0.00 O ATOM 721 NE2 GLN A 49 8.812 8.029 11.940 1.00 0.00 N ATOM 0 H GLN A 49 7.144 10.458 6.082 1.00 0.00 H new ATOM 0 HA GLN A 49 7.842 7.733 6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.311 9.372 8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.866 10.144 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.204 8.018 9.880 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.653 7.249 9.262 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.164 7.242 11.965 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.305 8.311 12.788 1.00 0.00 H new ATOM 730 N LEU A 50 5.406 7.496 7.245 1.00 0.00 N ATOM 731 CA LEU A 50 3.986 7.288 7.506 1.00 0.00 C ATOM 732 C LEU A 50 3.774 6.614 8.857 1.00 0.00 C ATOM 733 O LEU A 50 4.574 5.779 9.277 1.00 0.00 O ATOM 734 CB LEU A 50 3.362 6.441 6.396 1.00 0.00 C ATOM 735 CG LEU A 50 3.525 6.973 4.972 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.353 5.851 3.960 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.530 8.093 4.704 1.00 0.00 C ATOM 0 H LEU A 50 5.879 6.695 6.828 1.00 0.00 H new ATOM 0 HA LEU A 50 3.499 8.263 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.797 5.442 6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.297 6.335 6.603 1.00 0.00 H new ATOM 0 HG LEU A 50 4.532 7.376 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.472 6.249 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.105 5.082 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.358 5.417 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.660 8.460 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.515 7.715 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.701 8.908 5.408 1.00 0.00 H new ATOM 749 N GLU A 51 2.690 6.981 9.533 1.00 0.00 N ATOM 750 CA GLU A 51 2.372 6.410 10.836 1.00 0.00 C ATOM 751 C GLU A 51 0.865 6.242 11.004 1.00 0.00 C ATOM 752 O GLU A 51 0.092 7.162 10.736 1.00 0.00 O ATOM 753 CB GLU A 51 2.925 7.296 11.954 1.00 0.00 C ATOM 754 CG GLU A 51 4.410 7.097 12.210 1.00 0.00 C ATOM 755 CD GLU A 51 4.900 7.862 13.425 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.843 7.302 14.540 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.339 9.019 13.261 1.00 0.00 O ATOM 0 H GLU A 51 2.017 7.671 9.200 1.00 0.00 H new ATOM 0 HA GLU A 51 2.838 5.427 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.745 8.341 11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.376 7.092 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.612 6.035 12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.972 7.417 11.333 1.00 0.00 H new ATOM 764 N PHE A 52 0.453 5.059 11.448 1.00 0.00 N ATOM 765 CA PHE A 52 -0.961 4.768 11.651 1.00 0.00 C ATOM 766 C PHE A 52 -1.236 4.390 13.103 1.00 0.00 C ATOM 767 O PHE A 52 -0.908 3.287 13.541 1.00 0.00 O ATOM 768 CB PHE A 52 -1.409 3.636 10.724 1.00 0.00 C ATOM 769 CG PHE A 52 -2.893 3.404 10.734 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.770 4.430 10.423 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.410 2.159 11.055 1.00 0.00 C ATOM 772 CE1 PHE A 52 -5.136 4.219 10.433 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.775 1.942 11.066 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.639 2.973 10.753 1.00 0.00 C ATOM 0 H PHE A 52 1.079 4.286 11.674 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.529 5.668 11.415 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.092 3.864 9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.904 2.716 11.017 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.382 5.406 10.170 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.739 1.349 11.299 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.810 5.028 10.191 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.165 0.967 11.319 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.706 2.805 10.758 1.00 0.00 H new ATOM 784 N GLN A 53 -1.841 5.313 13.844 1.00 0.00 N ATOM 785 CA GLN A 53 -2.159 5.077 15.248 1.00 0.00 C ATOM 786 C GLN A 53 -0.887 4.957 16.081 1.00 0.00 C ATOM 787 O GLN A 53 -0.824 4.171 17.026 1.00 0.00 O ATOM 788 CB GLN A 53 -3.001 3.809 15.395 1.00 0.00 C ATOM 789 CG GLN A 53 -4.244 3.799 14.520 1.00 0.00 C ATOM 790 CD GLN A 53 -5.165 4.970 14.800 1.00 0.00 C ATOM 791 OE1 GLN A 53 -4.993 5.687 15.786 1.00 0.00 O ATOM 792 NE2 GLN A 53 -6.149 5.171 13.932 1.00 0.00 N ATOM 0 H GLN A 53 -2.121 6.230 13.496 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.732 5.929 15.614 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.386 2.944 15.148 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.300 3.700 16.438 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.946 3.819 13.472 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.788 2.868 14.679 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.254 4.552 13.128 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.800 5.945 14.069 1.00 0.00 H new ATOM 801 N GLY A 54 0.125 5.742 15.725 1.00 0.00 N ATOM 802 CA GLY A 54 1.381 5.708 16.450 1.00 0.00 C ATOM 803 C GLY A 54 2.201 4.473 16.131 1.00 0.00 C ATOM 804 O GLY A 54 2.922 3.962 16.987 1.00 0.00 O ATOM 0 H GLY A 54 0.097 6.401 14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.961 6.598 16.208 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.180 5.740 17.521 1.00 0.00 H new ATOM 808 N GLN A 55 2.090 3.993 14.897 1.00 0.00 N ATOM 809 CA GLN A 55 2.825 2.810 14.468 1.00 0.00 C ATOM 810 C GLN A 55 3.599 3.085 13.183 1.00 0.00 C ATOM 811 O GLN A 55 3.017 3.448 12.161 1.00 0.00 O ATOM 812 CB GLN A 55 1.867 1.636 14.259 1.00 0.00 C ATOM 813 CG GLN A 55 1.283 1.570 12.857 1.00 0.00 C ATOM 814 CD GLN A 55 0.122 0.600 12.754 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.134 -0.315 11.931 1.00 0.00 O ATOM 816 NE2 GLN A 55 -0.890 0.797 13.591 1.00 0.00 N ATOM 0 H GLN A 55 1.498 4.406 14.176 1.00 0.00 H new ATOM 0 HA GLN A 55 3.538 2.553 15.251 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.395 0.705 14.468 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.053 1.709 14.980 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.949 2.564 12.560 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.063 1.273 12.156 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.858 1.569 14.257 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.699 0.177 13.568 1.00 0.00 H new ATOM 825 N VAL A 56 4.916 2.910 13.242 1.00 0.00 N ATOM 826 CA VAL A 56 5.770 3.139 12.083 1.00 0.00 C ATOM 827 C VAL A 56 5.763 1.934 11.149 1.00 0.00 C ATOM 828 O VAL A 56 6.118 0.824 11.548 1.00 0.00 O ATOM 829 CB VAL A 56 7.220 3.440 12.505 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.048 3.868 11.303 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.249 4.506 13.590 1.00 0.00 C ATOM 0 H VAL A 56 5.414 2.610 14.080 1.00 0.00 H new ATOM 0 HA VAL A 56 5.366 4.004 11.558 1.00 0.00 H new ATOM 0 HB VAL A 56 7.658 2.529 12.912 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.070 4.077 11.621 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.054 3.068 10.562 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.614 4.766 10.864 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.282 4.706 13.876 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.793 5.421 13.213 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.693 4.155 14.460 1.00 0.00 H new ATOM 841 N LEU A 57 5.359 2.160 9.904 1.00 0.00 N ATOM 842 CA LEU A 57 5.307 1.092 8.911 1.00 0.00 C ATOM 843 C LEU A 57 6.677 0.867 8.281 1.00 0.00 C ATOM 844 O LEU A 57 7.504 1.778 8.229 1.00 0.00 O ATOM 845 CB LEU A 57 4.283 1.428 7.826 1.00 0.00 C ATOM 846 CG LEU A 57 2.937 1.965 8.316 1.00 0.00 C ATOM 847 CD1 LEU A 57 2.175 2.618 7.173 1.00 0.00 C ATOM 848 CD2 LEU A 57 2.113 0.848 8.939 1.00 0.00 C ATOM 0 H LEU A 57 5.063 3.073 9.558 1.00 0.00 H new ATOM 0 HA LEU A 57 5.005 0.174 9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.723 2.166 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.100 0.530 7.236 1.00 0.00 H new ATOM 0 HG LEU A 57 3.124 2.721 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.220 2.994 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.760 3.445 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.998 1.883 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.159 1.248 9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.935 0.070 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.654 0.425 9.785 1.00 0.00 H new ATOM 860 N GLN A 58 6.910 -0.350 7.801 1.00 0.00 N ATOM 861 CA GLN A 58 8.180 -0.694 7.173 1.00 0.00 C ATOM 862 C GLN A 58 7.958 -1.292 5.788 1.00 0.00 C ATOM 863 O GLN A 58 6.922 -1.902 5.523 1.00 0.00 O ATOM 864 CB GLN A 58 8.957 -1.679 8.049 1.00 0.00 C ATOM 865 CG GLN A 58 9.278 -1.139 9.433 1.00 0.00 C ATOM 866 CD GLN A 58 10.608 -0.413 9.482 1.00 0.00 C ATOM 867 OE1 GLN A 58 11.208 -0.122 8.447 1.00 0.00 O ATOM 868 NE2 GLN A 58 11.076 -0.115 10.689 1.00 0.00 N ATOM 0 H GLN A 58 6.236 -1.115 7.835 1.00 0.00 H new ATOM 0 HA GLN A 58 8.762 0.221 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.378 -2.597 8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.887 -1.944 7.546 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.486 -0.459 9.746 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.292 -1.963 10.146 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.545 -0.375 11.520 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.966 0.374 10.784 1.00 0.00 H new ATOM 877 N ASP A 59 8.937 -1.114 4.908 1.00 0.00 N ATOM 878 CA ASP A 59 8.849 -1.638 3.550 1.00 0.00 C ATOM 879 C ASP A 59 8.599 -3.142 3.562 1.00 0.00 C ATOM 880 O ASP A 59 7.621 -3.624 2.990 1.00 0.00 O ATOM 881 CB ASP A 59 10.132 -1.328 2.777 1.00 0.00 C ATOM 882 CG ASP A 59 10.435 -2.369 1.717 1.00 0.00 C ATOM 883 OD1 ASP A 59 10.654 -3.543 2.084 1.00 0.00 O ATOM 884 OD2 ASP A 59 10.453 -2.010 0.521 1.00 0.00 O ATOM 0 H ASP A 59 9.801 -0.611 5.111 1.00 0.00 H new ATOM 0 HA ASP A 59 8.008 -1.153 3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.041 -0.349 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.968 -1.270 3.474 1.00 0.00 H new ATOM 889 N TRP A 60 9.489 -3.879 4.217 1.00 0.00 N ATOM 890 CA TRP A 60 9.365 -5.330 4.303 1.00 0.00 C ATOM 891 C TRP A 60 7.998 -5.728 4.849 1.00 0.00 C ATOM 892 O TRP A 60 7.515 -6.832 4.595 1.00 0.00 O ATOM 893 CB TRP A 60 10.470 -5.905 5.190 1.00 0.00 C ATOM 894 CG TRP A 60 10.077 -6.014 6.633 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.306 -6.988 7.200 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.434 -5.116 7.689 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.163 -6.749 8.546 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.846 -5.607 8.870 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.195 -3.946 7.751 1.00 0.00 C ATOM 900 CZ2 TRP A 60 9.995 -4.967 10.098 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.342 -3.311 8.970 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.745 -3.823 10.130 1.00 0.00 C ATOM 0 H TRP A 60 10.304 -3.496 4.696 1.00 0.00 H new ATOM 0 HA TRP A 60 9.467 -5.739 3.298 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.746 -6.893 4.820 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.356 -5.275 5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.873 -7.823 6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.634 -7.328 9.198 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.660 -3.545 6.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.535 -5.360 10.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.927 -2.405 9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.880 -3.304 11.068 1.00 0.00 H new ATOM 913 N LEU A 61 7.380 -4.824 5.600 1.00 0.00 N ATOM 914 CA LEU A 61 6.067 -5.081 6.182 1.00 0.00 C ATOM 915 C LEU A 61 4.962 -4.850 5.157 1.00 0.00 C ATOM 916 O LEU A 61 5.152 -4.133 4.175 1.00 0.00 O ATOM 917 CB LEU A 61 5.843 -4.185 7.401 1.00 0.00 C ATOM 918 CG LEU A 61 6.749 -4.450 8.604 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.622 -3.330 9.625 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.414 -5.792 9.238 1.00 0.00 C ATOM 0 H LEU A 61 7.767 -3.906 5.821 1.00 0.00 H new ATOM 0 HA LEU A 61 6.034 -6.125 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.975 -3.148 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.807 -4.293 7.721 1.00 0.00 H new ATOM 0 HG LEU A 61 7.782 -4.482 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.274 -3.536 10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.912 -2.385 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.589 -3.266 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.068 -5.964 10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.376 -5.788 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.557 -6.586 8.505 1.00 0.00 H new ATOM 932 N GLY A 62 3.805 -5.461 5.393 1.00 0.00 N ATOM 933 CA GLY A 62 2.685 -5.307 4.483 1.00 0.00 C ATOM 934 C GLY A 62 1.517 -4.579 5.118 1.00 0.00 C ATOM 935 O GLY A 62 1.448 -4.447 6.340 1.00 0.00 O ATOM 0 H GLY A 62 3.623 -6.060 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.012 -4.760 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.357 -6.290 4.147 1.00 0.00 H new ATOM 939 N LEU A 63 0.596 -4.103 4.287 1.00 0.00 N ATOM 940 CA LEU A 63 -0.575 -3.382 4.774 1.00 0.00 C ATOM 941 C LEU A 63 -1.342 -4.217 5.795 1.00 0.00 C ATOM 942 O LEU A 63 -1.672 -3.739 6.879 1.00 0.00 O ATOM 943 CB LEU A 63 -1.493 -3.013 3.607 1.00 0.00 C ATOM 944 CG LEU A 63 -1.021 -1.859 2.721 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.138 -2.376 1.596 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.213 -1.097 2.159 1.00 0.00 C ATOM 0 H LEU A 63 0.638 -4.203 3.273 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.233 -2.469 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.624 -3.895 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.474 -2.759 4.009 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.432 -1.175 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.188 -1.541 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.733 -2.877 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.702 -3.082 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.859 -0.279 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.828 -1.772 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.807 -0.694 2.979 1.00 0.00 H new ATOM 958 N GLY A 64 -1.620 -5.468 5.441 1.00 0.00 N ATOM 959 CA GLY A 64 -2.344 -6.349 6.338 1.00 0.00 C ATOM 960 C GLY A 64 -1.560 -6.667 7.596 1.00 0.00 C ATOM 961 O GLY A 64 -2.134 -6.786 8.679 1.00 0.00 O ATOM 0 H GLY A 64 -1.357 -5.887 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.292 -5.885 6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.582 -7.277 5.818 1.00 0.00 H new ATOM 965 N ILE A 65 -0.246 -6.806 7.453 1.00 0.00 N ATOM 966 CA ILE A 65 0.616 -7.113 8.587 1.00 0.00 C ATOM 967 C ILE A 65 0.282 -6.232 9.786 1.00 0.00 C ATOM 968 O ILE A 65 0.451 -6.640 10.936 1.00 0.00 O ATOM 969 CB ILE A 65 2.103 -6.931 8.229 1.00 0.00 C ATOM 970 CG1 ILE A 65 2.478 -7.823 7.044 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.980 -7.243 9.432 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.812 -9.181 7.076 1.00 0.00 C ATOM 0 H ILE A 65 0.244 -6.711 6.564 1.00 0.00 H new ATOM 0 HA ILE A 65 0.438 -8.157 8.845 1.00 0.00 H new ATOM 0 HB ILE A 65 2.268 -5.892 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.207 -7.316 6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.560 -7.958 7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.028 -7.110 9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.727 -6.570 10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.814 -8.274 9.746 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.123 -9.760 6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.103 -9.707 7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.729 -9.056 7.060 1.00 0.00 H new ATOM 984 N TYR A 66 -0.194 -5.023 9.510 1.00 0.00 N ATOM 985 CA TYR A 66 -0.552 -4.084 10.566 1.00 0.00 C ATOM 986 C TYR A 66 -2.056 -4.102 10.826 1.00 0.00 C ATOM 987 O TYR A 66 -2.501 -4.035 11.971 1.00 0.00 O ATOM 988 CB TYR A 66 -0.105 -2.670 10.193 1.00 0.00 C ATOM 989 CG TYR A 66 1.346 -2.389 10.512 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.793 -2.346 11.826 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.270 -2.168 9.498 1.00 0.00 C ATOM 992 CE1 TYR A 66 3.118 -2.089 12.122 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.597 -1.912 9.784 1.00 0.00 C ATOM 994 CZ TYR A 66 4.016 -1.873 11.098 1.00 0.00 C ATOM 995 OH TYR A 66 5.336 -1.618 11.388 1.00 0.00 O ATOM 0 H TYR A 66 -0.341 -4.670 8.564 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.041 -4.391 11.478 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.270 -2.515 9.127 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.730 -1.950 10.720 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.093 -2.516 12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.945 -2.197 8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.449 -2.057 13.150 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.302 -1.743 8.984 1.00 0.00 H new ATOM 0 HH TYR A 66 5.438 -0.679 11.650 1.00 0.00 H new ATOM 1005 N GLY A 67 -2.834 -4.195 9.751 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.279 -4.222 9.882 1.00 0.00 C ATOM 1007 C GLY A 67 -4.931 -2.956 9.364 1.00 0.00 C ATOM 1008 O GLY A 67 -5.928 -2.491 9.918 1.00 0.00 O ATOM 0 H GLY A 67 -2.489 -4.252 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.674 -5.080 9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.543 -4.361 10.930 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.368 -2.395 8.299 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.901 -1.175 7.706 1.00 0.00 C ATOM 1014 C ILE A 68 -6.145 -1.466 6.874 1.00 0.00 C ATOM 1015 O ILE A 68 -6.163 -2.401 6.074 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.855 -0.476 6.818 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.572 -0.217 7.611 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.414 0.826 6.264 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.326 -0.195 6.753 1.00 0.00 C ATOM 0 H ILE A 68 -3.542 -2.766 7.829 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.165 -0.513 8.531 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.616 -1.131 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.662 0.737 8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.464 -0.988 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.662 1.308 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.302 0.616 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.679 1.488 7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.455 -0.007 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.212 -1.157 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.412 0.594 6.006 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.182 -0.658 7.067 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.430 -0.828 6.333 1.00 0.00 C ATOM 1033 C GLN A 69 -8.538 0.186 5.199 1.00 0.00 C ATOM 1034 O GLN A 69 -7.636 0.998 4.992 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.626 -0.685 7.276 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.993 -1.974 7.993 1.00 0.00 C ATOM 1037 CD GLN A 69 -11.308 -1.872 8.741 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.468 -1.030 9.626 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -12.258 -2.730 8.389 1.00 0.00 N ATOM 0 H GLN A 69 -7.183 0.121 7.726 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.434 -1.829 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.404 0.083 8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.488 -0.338 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.055 -2.784 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.200 -2.234 8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.082 -3.411 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.164 -2.708 8.857 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.646 0.132 4.467 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.872 1.047 3.354 1.00 0.00 C ATOM 1050 C ASP A 70 -10.429 2.378 3.849 1.00 0.00 C ATOM 1051 O ASP A 70 -10.978 2.462 4.947 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.832 0.423 2.341 1.00 0.00 C ATOM 1053 CG ASP A 70 -12.152 0.018 2.967 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.130 -0.749 3.952 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -13.207 0.467 2.472 1.00 0.00 O ATOM 0 H ASP A 70 -10.401 -0.535 4.624 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.914 1.233 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.018 1.134 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.363 -0.452 1.892 1.00 0.00 H new ATOM 1060 N SER A 71 -10.281 3.416 3.032 1.00 0.00 N ATOM 1061 CA SER A 71 -10.765 4.744 3.388 1.00 0.00 C ATOM 1062 C SER A 71 -10.118 5.229 4.682 1.00 0.00 C ATOM 1063 O SER A 71 -10.697 6.029 5.417 1.00 0.00 O ATOM 1064 CB SER A 71 -12.288 4.732 3.540 1.00 0.00 C ATOM 1065 OG SER A 71 -12.824 6.037 3.409 1.00 0.00 O ATOM 0 H SER A 71 -9.830 3.363 2.119 1.00 0.00 H new ATOM 0 HA SER A 71 -10.492 5.430 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.727 4.078 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.556 4.321 4.513 1.00 0.00 H new ATOM 0 HG SER A 71 -13.798 6.002 3.509 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.914 4.739 4.953 1.00 0.00 N ATOM 1072 CA ASP A 72 -8.186 5.122 6.157 1.00 0.00 C ATOM 1073 C ASP A 72 -7.325 6.355 5.903 1.00 0.00 C ATOM 1074 O ASP A 72 -6.995 6.671 4.759 1.00 0.00 O ATOM 1075 CB ASP A 72 -7.310 3.964 6.639 1.00 0.00 C ATOM 1076 CG ASP A 72 -8.059 3.011 7.550 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -8.457 3.436 8.654 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -8.247 1.840 7.158 1.00 0.00 O ATOM 0 H ASP A 72 -8.421 4.076 4.355 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.915 5.363 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.931 3.415 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.444 4.363 7.168 1.00 0.00 H new ATOM 1083 N THR A 73 -6.964 7.051 6.977 1.00 0.00 N ATOM 1084 CA THR A 73 -6.144 8.251 6.870 1.00 0.00 C ATOM 1085 C THR A 73 -4.727 7.995 7.370 1.00 0.00 C ATOM 1086 O THR A 73 -4.528 7.344 8.397 1.00 0.00 O ATOM 1087 CB THR A 73 -6.754 9.420 7.666 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.044 9.751 7.140 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.849 10.642 7.610 1.00 0.00 C ATOM 0 H THR A 73 -7.227 6.804 7.931 1.00 0.00 H new ATOM 0 HA THR A 73 -6.111 8.518 5.814 1.00 0.00 H new ATOM 0 HB THR A 73 -6.855 9.109 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.426 10.494 7.653 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.300 11.455 8.179 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.877 10.395 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.721 10.952 6.573 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.745 8.510 6.640 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.344 8.338 7.010 1.00 0.00 C ATOM 1099 C LEU A 74 -1.626 9.682 7.066 1.00 0.00 C ATOM 1100 O LEU A 74 -1.750 10.502 6.155 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.643 7.413 6.013 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.241 6.015 5.859 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.605 5.289 4.684 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.066 5.215 7.141 1.00 0.00 C ATOM 0 H LEU A 74 -3.892 9.051 5.788 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.309 7.887 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.645 7.897 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.601 7.309 6.315 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.308 6.117 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.043 4.295 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.784 5.853 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.532 5.198 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.498 4.223 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.004 5.122 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.570 5.727 7.961 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.875 9.901 8.140 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.134 11.145 8.312 1.00 0.00 C ATOM 1118 C ILE A 75 1.240 11.062 7.657 1.00 0.00 C ATOM 1119 O ILE A 75 1.962 10.079 7.824 1.00 0.00 O ATOM 1120 CB ILE A 75 0.040 11.494 9.802 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.304 11.416 10.528 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.651 12.879 9.954 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.384 12.264 9.892 1.00 0.00 C ATOM 0 H ILE A 75 -0.763 9.234 8.904 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.717 11.929 7.829 1.00 0.00 H new ATOM 0 HB ILE A 75 0.717 10.768 10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.635 10.378 10.552 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.168 11.731 11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.768 13.111 11.013 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.626 12.902 9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.003 13.618 9.490 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.309 12.160 10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.074 13.309 9.892 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.548 11.935 8.866 1.00 0.00 H new ATOM 1135 N LEU A 76 1.597 12.102 6.911 1.00 0.00 N ATOM 1136 CA LEU A 76 2.886 12.149 6.230 1.00 0.00 C ATOM 1137 C LEU A 76 3.807 13.178 6.879 1.00 0.00 C ATOM 1138 O LEU A 76 3.430 14.336 7.061 1.00 0.00 O ATOM 1139 CB LEU A 76 2.692 12.482 4.750 1.00 0.00 C ATOM 1140 CG LEU A 76 3.970 12.665 3.930 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.647 11.324 3.692 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.662 13.351 2.608 1.00 0.00 C ATOM 0 H LEU A 76 1.012 12.924 6.762 1.00 0.00 H new ATOM 0 HA LEU A 76 3.351 11.167 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.102 11.687 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.104 13.397 4.678 1.00 0.00 H new ATOM 0 HG LEU A 76 4.654 13.299 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.555 11.473 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.903 10.871 4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.969 10.666 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.583 13.473 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.960 12.743 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.222 14.330 2.800 1.00 0.00 H new ATOM 1154 N SER A 77 5.017 12.748 7.223 1.00 0.00 N ATOM 1155 CA SER A 77 5.991 13.632 7.852 1.00 0.00 C ATOM 1156 C SER A 77 7.409 13.276 7.415 1.00 0.00 C ATOM 1157 O SER A 77 7.804 12.110 7.435 1.00 0.00 O ATOM 1158 CB SER A 77 5.879 13.547 9.376 1.00 0.00 C ATOM 1159 OG SER A 77 5.931 12.201 9.817 1.00 0.00 O ATOM 0 H SER A 77 5.346 11.794 7.077 1.00 0.00 H new ATOM 0 HA SER A 77 5.777 14.653 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.688 14.115 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.944 14.004 9.701 1.00 0.00 H new ATOM 0 HG SER A 77 5.859 12.174 10.794 1.00 0.00 H new ATOM 1165 N LYS A 78 8.171 14.290 7.020 1.00 0.00 N ATOM 1166 CA LYS A 78 9.546 14.088 6.578 1.00 0.00 C ATOM 1167 C LYS A 78 10.477 13.893 7.770 1.00 0.00 C ATOM 1168 O LYS A 78 10.252 14.449 8.845 1.00 0.00 O ATOM 1169 CB LYS A 78 10.015 15.280 5.741 1.00 0.00 C ATOM 1170 CG LYS A 78 10.147 16.568 6.536 1.00 0.00 C ATOM 1171 CD LYS A 78 10.739 17.685 5.693 1.00 0.00 C ATOM 1172 CE LYS A 78 12.222 17.467 5.440 1.00 0.00 C ATOM 1173 NZ LYS A 78 13.026 17.619 6.685 1.00 0.00 N ATOM 0 H LYS A 78 7.859 15.261 6.997 1.00 0.00 H new ATOM 0 HA LYS A 78 9.575 13.187 5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.978 15.040 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.312 15.438 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.167 16.870 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.778 16.395 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.211 17.742 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.592 18.640 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.377 16.470 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.571 18.180 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.030 17.734 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.700 18.456 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.910 16.773 7.279 1.00 0.00 H new ATOM 1187 N LYS A 79 11.526 13.101 7.573 1.00 0.00 N ATOM 1188 CA LYS A 79 12.493 12.834 8.630 1.00 0.00 C ATOM 1189 C LYS A 79 13.293 14.089 8.965 1.00 0.00 C ATOM 1190 O LYS A 79 14.012 14.624 8.121 1.00 0.00 O ATOM 1191 CB LYS A 79 13.442 11.709 8.209 1.00 0.00 C ATOM 1192 CG LYS A 79 12.730 10.484 7.664 1.00 0.00 C ATOM 1193 CD LYS A 79 13.502 9.210 7.964 1.00 0.00 C ATOM 1194 CE LYS A 79 12.601 7.986 7.910 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.343 6.736 8.235 1.00 0.00 N ATOM 0 H LYS A 79 11.728 12.633 6.690 1.00 0.00 H new ATOM 0 HA LYS A 79 11.945 12.525 9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.127 12.088 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.047 11.415 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.733 10.418 8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.600 10.587 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.314 9.097 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.958 9.284 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.776 8.111 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.164 7.901 6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.694 5.925 8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.115 6.603 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.739 6.807 9.194 1.00 0.00 H new ATOM 1209 N LYS A 80 13.164 14.554 10.203 1.00 0.00 N ATOM 1210 CA LYS A 80 13.875 15.744 10.652 1.00 0.00 C ATOM 1211 C LYS A 80 15.356 15.445 10.865 1.00 0.00 C ATOM 1212 O LYS A 80 15.734 14.313 11.163 1.00 0.00 O ATOM 1213 CB LYS A 80 13.260 16.273 11.950 1.00 0.00 C ATOM 1214 CG LYS A 80 13.983 17.482 12.518 1.00 0.00 C ATOM 1215 CD LYS A 80 13.226 18.084 13.690 1.00 0.00 C ATOM 1216 CE LYS A 80 13.854 19.393 14.145 1.00 0.00 C ATOM 1217 NZ LYS A 80 13.410 19.775 15.514 1.00 0.00 N ATOM 0 H LYS A 80 12.573 14.124 10.914 1.00 0.00 H new ATOM 0 HA LYS A 80 13.783 16.505 9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.218 16.536 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.262 15.476 12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.983 17.191 12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.106 18.234 11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.188 18.257 13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.215 17.377 14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.940 19.300 14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.591 20.185 13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.860 20.672 15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.376 19.889 15.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.683 19.031 16.188 1.00 0.00 H new ATOM 1231 N GLY A 81 16.190 16.469 10.710 1.00 0.00 N ATOM 1232 CA GLY A 81 17.620 16.295 10.891 1.00 0.00 C ATOM 1233 C GLY A 81 18.395 16.498 9.604 1.00 0.00 C ATOM 1234 O GLY A 81 17.835 16.404 8.512 1.00 0.00 O ATOM 0 H GLY A 81 15.901 17.415 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.977 17.000 11.642 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.816 15.294 11.276 1.00 0.00 H new ATOM 1238 N SER A 82 19.688 16.778 9.732 1.00 0.00 N ATOM 1239 CA SER A 82 20.541 17.001 8.571 1.00 0.00 C ATOM 1240 C SER A 82 20.258 18.362 7.942 1.00 0.00 C ATOM 1241 O SER A 82 20.125 18.480 6.725 1.00 0.00 O ATOM 1242 CB SER A 82 20.328 15.894 7.536 1.00 0.00 C ATOM 1243 OG SER A 82 21.493 15.696 6.754 1.00 0.00 O ATOM 0 H SER A 82 20.168 16.856 10.629 1.00 0.00 H new ATOM 0 HA SER A 82 21.579 16.983 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.063 14.965 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.491 16.154 6.888 1.00 0.00 H new ATOM 0 HG SER A 82 21.332 14.983 6.102 1.00 0.00 H new ATOM 1249 N GLY A 83 20.169 19.388 8.782 1.00 0.00 N ATOM 1250 CA GLY A 83 19.903 20.728 8.292 1.00 0.00 C ATOM 1251 C GLY A 83 21.031 21.692 8.598 1.00 0.00 C ATOM 1252 O GLY A 83 21.691 21.601 9.634 1.00 0.00 O ATOM 0 H GLY A 83 20.276 19.315 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.742 20.692 7.215 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.981 21.099 8.740 1.00 0.00 H new ATOM 1256 N PRO A 84 21.268 22.642 7.681 1.00 0.00 N ATOM 1257 CA PRO A 84 22.326 23.645 7.835 1.00 0.00 C ATOM 1258 C PRO A 84 22.015 24.650 8.939 1.00 0.00 C ATOM 1259 O PRO A 84 20.903 24.685 9.464 1.00 0.00 O ATOM 1260 CB PRO A 84 22.358 24.340 6.472 1.00 0.00 C ATOM 1261 CG PRO A 84 20.989 24.146 5.916 1.00 0.00 C ATOM 1262 CD PRO A 84 20.522 22.810 6.423 1.00 0.00 C ATOM 0 HA PRO A 84 23.276 23.194 8.121 1.00 0.00 H new ATOM 0 HB2 PRO A 84 22.598 25.398 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 84 23.115 23.902 5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 84 20.319 24.942 6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 84 21.004 24.166 4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 84 19.445 22.798 6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 84 20.744 22.012 5.715 1.00 0.00 H new ATOM 1270 N SER A 85 23.005 25.467 9.285 1.00 0.00 N ATOM 1271 CA SER A 85 22.838 26.471 10.328 1.00 0.00 C ATOM 1272 C SER A 85 22.173 27.727 9.773 1.00 0.00 C ATOM 1273 O SER A 85 22.845 28.631 9.276 1.00 0.00 O ATOM 1274 CB SER A 85 24.192 26.828 10.945 1.00 0.00 C ATOM 1275 OG SER A 85 24.705 25.750 11.708 1.00 0.00 O ATOM 0 H SER A 85 23.931 25.453 8.858 1.00 0.00 H new ATOM 0 HA SER A 85 22.194 26.051 11.101 1.00 0.00 H new ATOM 0 HB2 SER A 85 24.898 27.087 10.156 1.00 0.00 H new ATOM 0 HB3 SER A 85 24.085 27.708 11.579 1.00 0.00 H new ATOM 0 HG SER A 85 25.571 26.003 12.090 1.00 0.00 H new ATOM 1281 N SER A 86 20.847 27.775 9.860 1.00 0.00 N ATOM 1282 CA SER A 86 20.089 28.917 9.363 1.00 0.00 C ATOM 1283 C SER A 86 19.288 29.569 10.486 1.00 0.00 C ATOM 1284 O SER A 86 18.614 28.888 11.258 1.00 0.00 O ATOM 1285 CB SER A 86 19.150 28.482 8.237 1.00 0.00 C ATOM 1286 OG SER A 86 18.605 29.604 7.565 1.00 0.00 O ATOM 0 H SER A 86 20.276 27.036 10.270 1.00 0.00 H new ATOM 0 HA SER A 86 20.797 29.649 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.693 27.858 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.344 27.873 8.646 1.00 0.00 H new ATOM 0 HG SER A 86 18.010 29.299 6.849 1.00 0.00 H new ATOM 1292 N GLY A 87 19.368 30.893 10.571 1.00 0.00 N ATOM 1293 CA GLY A 87 18.646 31.615 11.602 1.00 0.00 C ATOM 1294 C GLY A 87 19.465 31.794 12.865 1.00 0.00 C ATOM 1295 O GLY A 87 19.387 30.979 13.784 1.00 0.00 O ATOM 0 H GLY A 87 19.920 31.479 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 87 18.354 32.593 11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.727 31.079 11.841 1.00 0.00 H new TER 1299 GLY A 87