USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -57:sc= 0.0676 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.884 X(o=-0.82,f=-1.1) USER MOD Set 2.1: A 37 THR OG1 : rot -120:sc= 0.817 USER MOD Set 2.2: A 67 TYR OH : rot 106:sc= 0.926 USER MOD Set 3.1: A 12 SER OG : rot 83:sc= 0.00166 USER MOD Set 3.2: A 15 GLN : amide:sc= 0.494 K(o=0.5,f=-2.6!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 4 THR OG1 : rot -87:sc= 0.589 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 11 TYR OH : rot 45:sc= -0.0299 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.88) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 26 TYR OH : rot -67:sc= 0.208 USER MOD Single : A 27 TYR OH : rot -6:sc= -1.55 USER MOD Single : A 28 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.0057) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -22:sc= 0.786 USER MOD Single : A 36 SER OG : rot 5:sc= 0.213 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.14) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 82:sc= 1.93 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc=-0.00264 (180deg=-0.268) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -53:sc= 0.314 USER MOD Single : A 71 SER OG : rot 34:sc= 0.71 USER MOD Single : A 80 ASN : amide:sc= -0.982! K(o=-0.98!,f=0.091) USER MOD Single : A 81 THR OG1 : rot 32:sc= 0.447 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 85 TYR OH : rot 15:sc= 0.0146 USER MOD Single : A 90 THR OG1 : rot 138:sc= 0.564 USER MOD Single : A 91 HIS : no HD1:sc= -0.84 K(o=-0.84,f=-4.2!) USER MOD Single : A 92 THR OG1 : rot 140:sc= 0 USER MOD Single : A 95 SER OG : rot -61:sc= 0.1 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.41 K(o=-0.41,f=-2!) USER MOD Single : A 103 SER OG : rot 78:sc= 0.393 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 4.993 12.281 -5.803 1.00 0.00 N ATOM 16 CA SER A 2 6.339 12.108 -5.273 1.00 0.00 C ATOM 17 C SER A 2 6.858 13.471 -4.803 1.00 0.00 C ATOM 18 O SER A 2 6.113 14.450 -4.823 1.00 0.00 O ATOM 19 CB SER A 2 7.239 11.486 -6.352 1.00 0.00 C ATOM 20 OG SER A 2 8.493 11.120 -5.815 1.00 0.00 O ATOM 0 HA SER A 2 6.338 11.430 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.751 10.609 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.381 12.197 -7.166 1.00 0.00 H new ATOM 0 HG SER A 2 9.048 10.725 -6.520 1.00 0.00 H new ATOM 26 N ALA A 3 8.125 13.542 -4.369 1.00 0.00 N ATOM 27 CA ALA A 3 8.748 14.777 -3.906 1.00 0.00 C ATOM 28 C ALA A 3 8.698 15.814 -5.027 1.00 0.00 C ATOM 29 O ALA A 3 8.928 15.472 -6.188 1.00 0.00 O ATOM 30 CB ALA A 3 10.181 14.507 -3.447 1.00 0.00 C ATOM 0 H ALA A 3 8.746 12.734 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 3 8.203 15.171 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.634 15.437 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.172 13.785 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.760 14.106 -4.279 1.00 0.00 H new ATOM 36 N THR A 4 8.389 17.070 -4.681 1.00 0.00 N ATOM 37 CA THR A 4 8.271 18.142 -5.656 1.00 0.00 C ATOM 38 C THR A 4 8.836 19.454 -5.102 1.00 0.00 C ATOM 39 O THR A 4 8.369 19.952 -4.080 1.00 0.00 O ATOM 40 CB THR A 4 6.794 18.201 -6.101 1.00 0.00 C ATOM 41 OG1 THR A 4 6.681 18.808 -7.355 1.00 0.00 O ATOM 42 CG2 THR A 4 5.831 18.913 -5.149 1.00 0.00 C ATOM 0 H THR A 4 8.216 17.363 -3.719 1.00 0.00 H new ATOM 0 HA THR A 4 8.876 17.955 -6.543 1.00 0.00 H new ATOM 0 HB THR A 4 6.494 17.153 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.607 19.779 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.824 18.891 -5.566 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.834 18.408 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.147 19.948 -5.018 1.00 0.00 H new ATOM 50 N THR A 5 9.857 20.003 -5.779 1.00 0.00 N ATOM 51 CA THR A 5 10.519 21.242 -5.437 1.00 0.00 C ATOM 52 C THR A 5 9.965 22.282 -6.409 1.00 0.00 C ATOM 53 O THR A 5 10.269 22.253 -7.602 1.00 0.00 O ATOM 54 CB THR A 5 12.036 20.998 -5.512 1.00 0.00 C ATOM 55 OG1 THR A 5 12.504 20.604 -4.240 1.00 0.00 O ATOM 56 CG2 THR A 5 12.811 22.219 -5.983 1.00 0.00 C ATOM 0 H THR A 5 10.250 19.566 -6.613 1.00 0.00 H new ATOM 0 HA THR A 5 10.338 21.609 -4.427 1.00 0.00 H new ATOM 0 HB THR A 5 12.203 20.213 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.470 20.445 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.875 21.984 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.472 22.503 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.642 23.046 -5.293 1.00 0.00 H new ATOM 64 N CYS A 6 9.131 23.193 -5.889 1.00 0.00 N ATOM 65 CA CYS A 6 8.484 24.243 -6.662 1.00 0.00 C ATOM 66 C CYS A 6 9.282 25.533 -6.520 1.00 0.00 C ATOM 67 O CYS A 6 8.918 26.429 -5.759 1.00 0.00 O ATOM 68 CB CYS A 6 7.016 24.359 -6.224 1.00 0.00 C ATOM 69 SG CYS A 6 5.938 22.921 -6.545 1.00 0.00 S ATOM 0 H CYS A 6 8.887 23.214 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 6 8.469 24.008 -7.726 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.997 24.564 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.582 25.226 -6.722 1.00 0.00 H new ATOM 74 N GLY A 7 10.382 25.601 -7.283 1.00 0.00 N ATOM 75 CA GLY A 7 11.306 26.718 -7.309 1.00 0.00 C ATOM 76 C GLY A 7 12.137 26.704 -6.033 1.00 0.00 C ATOM 77 O GLY A 7 13.143 26.000 -5.956 1.00 0.00 O ATOM 0 H GLY A 7 10.652 24.849 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.955 26.649 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.759 27.657 -7.392 1.00 0.00 H new ATOM 81 N SER A 8 11.695 27.483 -5.039 1.00 0.00 N ATOM 82 CA SER A 8 12.327 27.605 -3.735 1.00 0.00 C ATOM 83 C SER A 8 11.479 26.919 -2.662 1.00 0.00 C ATOM 84 O SER A 8 12.035 26.389 -1.700 1.00 0.00 O ATOM 85 CB SER A 8 12.526 29.087 -3.402 1.00 0.00 C ATOM 86 OG SER A 8 13.373 29.692 -4.356 1.00 0.00 O ATOM 0 H SER A 8 10.860 28.062 -5.131 1.00 0.00 H new ATOM 0 HA SER A 8 13.299 27.113 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.562 29.596 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.957 29.189 -2.406 1.00 0.00 H new ATOM 0 HG SER A 8 13.492 30.639 -4.134 1.00 0.00 H new ATOM 92 N THR A 9 10.147 26.913 -2.824 1.00 0.00 N ATOM 93 CA THR A 9 9.237 26.312 -1.862 1.00 0.00 C ATOM 94 C THR A 9 9.185 24.804 -2.116 1.00 0.00 C ATOM 95 O THR A 9 8.513 24.354 -3.041 1.00 0.00 O ATOM 96 CB THR A 9 7.857 26.984 -1.954 1.00 0.00 C ATOM 97 OG1 THR A 9 8.004 28.387 -2.041 1.00 0.00 O ATOM 98 CG2 THR A 9 7.017 26.672 -0.711 1.00 0.00 C ATOM 0 H THR A 9 9.679 27.328 -3.630 1.00 0.00 H new ATOM 0 HA THR A 9 9.588 26.467 -0.842 1.00 0.00 H new ATOM 0 HB THR A 9 7.359 26.597 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.120 28.805 -2.101 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.045 27.157 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.878 25.594 -0.627 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.530 27.042 0.177 1.00 0.00 H new ATOM 106 N ASN A 10 9.907 24.029 -1.296 1.00 0.00 N ATOM 107 CA ASN A 10 9.971 22.579 -1.420 1.00 0.00 C ATOM 108 C ASN A 10 8.804 21.908 -0.699 1.00 0.00 C ATOM 109 O ASN A 10 8.263 22.452 0.262 1.00 0.00 O ATOM 110 CB ASN A 10 11.328 22.046 -0.937 1.00 0.00 C ATOM 111 CG ASN A 10 11.524 22.194 0.571 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.239 21.268 1.328 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.021 23.354 1.009 1.00 0.00 N ATOM 0 H ASN A 10 10.464 24.399 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 10 9.880 22.326 -2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.416 20.994 -1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.126 22.577 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.178 23.497 2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.244 24.096 0.346 1.00 0.00 H new ATOM 120 N TYR A 11 8.420 20.723 -1.189 1.00 0.00 N ATOM 121 CA TYR A 11 7.342 19.911 -0.642 1.00 0.00 C ATOM 122 C TYR A 11 7.737 18.435 -0.722 1.00 0.00 C ATOM 123 O TYR A 11 8.215 17.970 -1.757 1.00 0.00 O ATOM 124 CB TYR A 11 6.045 20.178 -1.414 1.00 0.00 C ATOM 125 CG TYR A 11 5.557 21.614 -1.369 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.794 22.064 -0.275 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.868 22.502 -2.417 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.332 23.389 -0.232 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.400 23.828 -2.375 1.00 0.00 C ATOM 130 CZ TYR A 11 4.628 24.269 -1.286 1.00 0.00 C ATOM 131 OH TYR A 11 4.165 25.551 -1.249 1.00 0.00 O ATOM 0 H TYR A 11 8.868 20.296 -2.000 1.00 0.00 H new ATOM 0 HA TYR A 11 7.171 20.172 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.194 19.893 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.263 19.532 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.563 21.387 0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.465 22.165 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.750 23.731 0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.634 24.508 -3.181 1.00 0.00 H new ATOM 0 HH TYR A 11 4.311 25.926 -0.355 1.00 0.00 H new ATOM 141 N SER A 12 7.526 17.703 0.378 1.00 0.00 N ATOM 142 CA SER A 12 7.839 16.290 0.512 1.00 0.00 C ATOM 143 C SER A 12 6.878 15.436 -0.285 1.00 0.00 C ATOM 144 O SER A 12 5.774 15.865 -0.616 1.00 0.00 O ATOM 145 CB SER A 12 7.781 15.900 1.993 1.00 0.00 C ATOM 146 OG SER A 12 8.687 16.683 2.741 1.00 0.00 O ATOM 0 H SER A 12 7.118 18.099 1.225 1.00 0.00 H new ATOM 0 HA SER A 12 8.841 16.117 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.769 16.039 2.373 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.022 14.843 2.108 1.00 0.00 H new ATOM 0 HG SER A 12 8.276 17.547 2.952 1.00 0.00 H new ATOM 152 N ALA A 13 7.325 14.214 -0.605 1.00 0.00 N ATOM 153 CA ALA A 13 6.493 13.251 -1.300 1.00 0.00 C ATOM 154 C ALA A 13 5.300 12.958 -0.388 1.00 0.00 C ATOM 155 O ALA A 13 4.257 12.512 -0.857 1.00 0.00 O ATOM 156 CB ALA A 13 7.285 11.967 -1.552 1.00 0.00 C ATOM 0 H ALA A 13 8.263 13.878 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 13 6.163 13.639 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.655 11.247 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.160 12.193 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.606 11.544 -0.600 1.00 0.00 H new ATOM 162 N SER A 14 5.473 13.230 0.916 1.00 0.00 N ATOM 163 CA SER A 14 4.453 13.036 1.929 1.00 0.00 C ATOM 164 C SER A 14 3.383 14.116 1.755 1.00 0.00 C ATOM 165 O SER A 14 2.198 13.827 1.896 1.00 0.00 O ATOM 166 CB SER A 14 5.092 13.105 3.320 1.00 0.00 C ATOM 167 OG SER A 14 6.090 12.114 3.444 1.00 0.00 O ATOM 0 H SER A 14 6.348 13.598 1.291 1.00 0.00 H new ATOM 0 HA SER A 14 3.987 12.056 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.526 14.092 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.330 12.963 4.086 1.00 0.00 H new ATOM 0 HG SER A 14 6.494 12.166 4.335 1.00 0.00 H new ATOM 173 N GLN A 15 3.804 15.351 1.441 1.00 0.00 N ATOM 174 CA GLN A 15 2.930 16.498 1.257 1.00 0.00 C ATOM 175 C GLN A 15 2.084 16.376 -0.008 1.00 0.00 C ATOM 176 O GLN A 15 0.873 16.546 0.059 1.00 0.00 O ATOM 177 CB GLN A 15 3.737 17.800 1.325 1.00 0.00 C ATOM 178 CG GLN A 15 4.288 18.003 2.745 1.00 0.00 C ATOM 179 CD GLN A 15 5.220 19.208 2.833 1.00 0.00 C ATOM 180 OE1 GLN A 15 6.439 19.054 2.841 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.648 20.411 2.908 1.00 0.00 N ATOM 0 H GLN A 15 4.790 15.575 1.307 1.00 0.00 H new ATOM 0 HA GLN A 15 2.214 16.523 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.558 17.767 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.106 18.644 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.458 18.136 3.440 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.825 17.107 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.631 20.494 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.227 21.248 2.975 1.00 0.00 H new ATOM 190 N VAL A 16 2.703 16.078 -1.152 1.00 0.00 N ATOM 191 CA VAL A 16 2.009 15.911 -2.428 1.00 0.00 C ATOM 192 C VAL A 16 0.953 14.819 -2.286 1.00 0.00 C ATOM 193 O VAL A 16 -0.195 15.014 -2.674 1.00 0.00 O ATOM 194 CB VAL A 16 2.978 15.546 -3.564 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.254 15.430 -4.907 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.060 16.621 -3.674 1.00 0.00 C ATOM 0 H VAL A 16 3.712 15.945 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 16 1.541 16.861 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 16 3.421 14.578 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.971 15.171 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.491 14.654 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.783 16.383 -5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.748 16.364 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.596 17.584 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.608 16.683 -2.734 1.00 0.00 H new ATOM 206 N ARG A 17 1.358 13.680 -1.713 1.00 0.00 N ATOM 207 CA ARG A 17 0.515 12.510 -1.516 1.00 0.00 C ATOM 208 C ARG A 17 -0.641 12.790 -0.554 1.00 0.00 C ATOM 209 O ARG A 17 -1.770 12.386 -0.824 1.00 0.00 O ATOM 210 CB ARG A 17 1.399 11.342 -1.053 1.00 0.00 C ATOM 211 CG ARG A 17 0.668 9.995 -0.990 1.00 0.00 C ATOM 212 CD ARG A 17 0.211 9.640 0.429 1.00 0.00 C ATOM 213 NE ARG A 17 -0.490 8.352 0.431 1.00 0.00 N ATOM 214 CZ ARG A 17 -0.939 7.715 1.526 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.718 8.206 2.755 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.628 6.575 1.380 1.00 0.00 N ATOM 0 H ARG A 17 2.308 13.550 -1.366 1.00 0.00 H new ATOM 0 HA ARG A 17 0.041 12.241 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.248 11.252 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.801 11.572 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.199 10.025 -1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.326 9.210 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.073 9.594 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.447 10.420 0.812 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.650 7.903 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.201 9.078 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.067 7.708 3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.805 6.202 0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.975 6.080 2.202 1.00 0.00 H new ATOM 230 N ALA A 18 -0.369 13.486 0.556 1.00 0.00 N ATOM 231 CA ALA A 18 -1.376 13.797 1.565 1.00 0.00 C ATOM 232 C ALA A 18 -2.385 14.817 1.043 1.00 0.00 C ATOM 233 O ALA A 18 -3.591 14.565 1.069 1.00 0.00 O ATOM 234 CB ALA A 18 -0.705 14.289 2.847 1.00 0.00 C ATOM 0 H ALA A 18 0.559 13.848 0.776 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.926 12.884 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.467 14.518 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.043 13.513 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.126 15.187 2.633 1.00 0.00 H new ATOM 240 N ALA A 19 -1.887 15.963 0.559 1.00 0.00 N ATOM 241 CA ALA A 19 -2.714 17.031 0.018 1.00 0.00 C ATOM 242 C ALA A 19 -3.512 16.533 -1.191 1.00 0.00 C ATOM 243 O ALA A 19 -4.584 17.069 -1.464 1.00 0.00 O ATOM 244 CB ALA A 19 -1.882 18.285 -0.307 1.00 0.00 C ATOM 0 H ALA A 19 -0.888 16.169 0.535 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.430 17.329 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.534 19.060 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.402 18.649 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.119 18.035 -1.044 1.00 0.00 H new ATOM 250 N ALA A 20 -3.005 15.513 -1.906 1.00 0.00 N ATOM 251 CA ALA A 20 -3.688 14.945 -3.058 1.00 0.00 C ATOM 252 C ALA A 20 -4.773 13.966 -2.663 1.00 0.00 C ATOM 253 O ALA A 20 -5.808 13.947 -3.321 1.00 0.00 O ATOM 254 CB ALA A 20 -2.720 14.353 -4.082 1.00 0.00 C ATOM 0 H ALA A 20 -2.112 15.068 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.188 15.778 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.283 13.943 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.049 15.133 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.136 13.560 -3.615 1.00 0.00 H new ATOM 260 N ASN A 21 -4.564 13.151 -1.625 1.00 0.00 N ATOM 261 CA ASN A 21 -5.613 12.245 -1.174 1.00 0.00 C ATOM 262 C ASN A 21 -6.762 13.110 -0.633 1.00 0.00 C ATOM 263 O ASN A 21 -7.927 12.694 -0.640 1.00 0.00 O ATOM 264 CB ASN A 21 -5.092 11.334 -0.055 1.00 0.00 C ATOM 265 CG ASN A 21 -4.041 10.330 -0.521 1.00 0.00 C ATOM 266 OD1 ASN A 21 -3.751 10.213 -1.709 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.468 9.594 0.433 1.00 0.00 N ATOM 0 H ASN A 21 -3.695 13.102 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.946 11.614 -1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.666 11.952 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.931 10.792 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.760 8.902 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.738 9.723 1.408 1.00 0.00 H new ATOM 274 N ALA A 22 -6.429 14.336 -0.189 1.00 0.00 N ATOM 275 CA ALA A 22 -7.402 15.242 0.390 1.00 0.00 C ATOM 276 C ALA A 22 -8.214 15.770 -0.775 1.00 0.00 C ATOM 277 O ALA A 22 -9.422 15.567 -0.810 1.00 0.00 O ATOM 278 CB ALA A 22 -6.718 16.343 1.196 1.00 0.00 C ATOM 0 H ALA A 22 -5.481 14.712 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.055 14.744 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.472 17.007 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.136 15.896 2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.056 16.913 0.544 1.00 0.00 H new ATOM 284 N ALA A 23 -7.532 16.433 -1.716 1.00 0.00 N ATOM 285 CA ALA A 23 -8.115 16.974 -2.934 1.00 0.00 C ATOM 286 C ALA A 23 -9.049 15.945 -3.575 1.00 0.00 C ATOM 287 O ALA A 23 -10.198 16.251 -3.879 1.00 0.00 O ATOM 288 CB ALA A 23 -6.989 17.320 -3.907 1.00 0.00 C ATOM 0 H ALA A 23 -6.530 16.609 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.691 17.868 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.413 17.727 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.330 18.060 -3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.419 16.420 -4.139 1.00 0.00 H new ATOM 294 N CYS A 24 -8.529 14.723 -3.753 1.00 0.00 N ATOM 295 CA CYS A 24 -9.189 13.561 -4.321 1.00 0.00 C ATOM 296 C CYS A 24 -10.568 13.336 -3.707 1.00 0.00 C ATOM 297 O CYS A 24 -11.523 13.129 -4.450 1.00 0.00 O ATOM 298 CB CYS A 24 -8.275 12.338 -4.162 1.00 0.00 C ATOM 299 SG CYS A 24 -9.049 10.701 -4.151 1.00 0.00 S ATOM 0 H CYS A 24 -7.568 14.516 -3.482 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.362 13.731 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.545 12.358 -4.971 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.721 12.453 -3.230 1.00 0.00 H new ATOM 304 N GLN A 25 -10.670 13.365 -2.372 1.00 0.00 N ATOM 305 CA GLN A 25 -11.940 13.163 -1.678 1.00 0.00 C ATOM 306 C GLN A 25 -12.844 14.408 -1.591 1.00 0.00 C ATOM 307 O GLN A 25 -14.058 14.305 -1.766 1.00 0.00 O ATOM 308 CB GLN A 25 -11.623 12.646 -0.269 1.00 0.00 C ATOM 309 CG GLN A 25 -12.885 12.192 0.476 1.00 0.00 C ATOM 310 CD GLN A 25 -12.558 11.649 1.866 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.602 12.088 2.502 1.00 0.00 O ATOM 312 NE2 GLN A 25 -13.355 10.689 2.341 1.00 0.00 N ATOM 0 H GLN A 25 -9.878 13.528 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.515 12.447 -2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.924 11.813 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.128 13.431 0.302 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.575 13.031 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.393 11.422 -0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.138 10.353 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.181 10.292 3.264 1.00 0.00 H new ATOM 321 N TYR A 26 -12.256 15.581 -1.331 1.00 0.00 N ATOM 322 CA TYR A 26 -12.919 16.874 -1.147 1.00 0.00 C ATOM 323 C TYR A 26 -13.592 17.483 -2.374 1.00 0.00 C ATOM 324 O TYR A 26 -14.662 18.080 -2.252 1.00 0.00 O ATOM 325 CB TYR A 26 -11.966 17.798 -0.356 1.00 0.00 C ATOM 326 CG TYR A 26 -11.365 19.104 -0.862 1.00 0.00 C ATOM 327 CD1 TYR A 26 -10.920 19.274 -2.183 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.234 20.178 0.042 1.00 0.00 C ATOM 329 CE1 TYR A 26 -10.386 20.502 -2.597 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.700 21.408 -0.369 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.284 21.576 -1.697 1.00 0.00 C ATOM 332 OH TYR A 26 -9.776 22.774 -2.111 1.00 0.00 O ATOM 0 H TYR A 26 -11.243 15.656 -1.238 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.817 16.711 -0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.496 18.053 0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.119 17.174 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.990 18.455 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.550 20.052 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.050 20.624 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.610 22.222 0.335 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.825 22.670 -2.323 1.00 0.00 H new ATOM 342 N TYR A 27 -12.972 17.321 -3.544 1.00 0.00 N ATOM 343 CA TYR A 27 -13.477 17.861 -4.812 1.00 0.00 C ATOM 344 C TYR A 27 -14.551 17.019 -5.495 1.00 0.00 C ATOM 345 O TYR A 27 -14.955 17.329 -6.615 1.00 0.00 O ATOM 346 CB TYR A 27 -12.365 18.353 -5.756 1.00 0.00 C ATOM 347 CG TYR A 27 -11.461 17.398 -6.497 1.00 0.00 C ATOM 348 CD1 TYR A 27 -11.624 16.007 -6.385 1.00 0.00 C ATOM 349 CD2 TYR A 27 -10.429 17.924 -7.309 1.00 0.00 C ATOM 350 CE1 TYR A 27 -10.760 15.145 -7.067 1.00 0.00 C ATOM 351 CE2 TYR A 27 -9.562 17.055 -7.980 1.00 0.00 C ATOM 352 CZ TYR A 27 -9.724 15.673 -7.850 1.00 0.00 C ATOM 353 OH TYR A 27 -8.872 14.842 -8.495 1.00 0.00 O ATOM 0 H TYR A 27 -12.097 16.807 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.020 18.759 -4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.846 18.978 -6.509 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.719 19.004 -5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.417 15.604 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.311 18.993 -7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.890 14.076 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.769 17.451 -8.597 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.057 13.916 -8.233 1.00 0.00 H new ATOM 363 N GLN A 28 -15.013 15.961 -4.823 1.00 0.00 N ATOM 364 CA GLN A 28 -16.062 15.088 -5.335 1.00 0.00 C ATOM 365 C GLN A 28 -17.443 15.744 -5.177 1.00 0.00 C ATOM 366 O GLN A 28 -18.440 15.175 -5.619 1.00 0.00 O ATOM 367 CB GLN A 28 -15.995 13.730 -4.626 1.00 0.00 C ATOM 368 CG GLN A 28 -14.602 13.113 -4.805 1.00 0.00 C ATOM 369 CD GLN A 28 -14.475 11.718 -4.197 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.928 10.816 -4.829 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.967 11.536 -2.969 1.00 0.00 N ATOM 0 H GLN A 28 -14.665 15.688 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.905 14.925 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.214 13.853 -3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.753 13.061 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.370 13.060 -5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.861 13.769 -4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.414 12.311 -2.479 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.896 10.622 -2.521 1.00 0.00 H new ATOM 380 N ASN A 29 -17.502 16.934 -4.556 1.00 0.00 N ATOM 381 CA ASN A 29 -18.699 17.727 -4.319 1.00 0.00 C ATOM 382 C ASN A 29 -19.678 17.009 -3.392 1.00 0.00 C ATOM 383 O ASN A 29 -20.869 16.912 -3.679 1.00 0.00 O ATOM 384 CB ASN A 29 -19.331 18.193 -5.640 1.00 0.00 C ATOM 385 CG ASN A 29 -18.321 18.922 -6.529 1.00 0.00 C ATOM 386 OD1 ASN A 29 -17.570 19.772 -6.056 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.297 18.587 -7.821 1.00 0.00 N ATOM 0 H ASN A 29 -16.664 17.385 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.406 18.634 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.731 17.332 -6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.171 18.854 -5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.639 19.042 -8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.937 17.876 -8.176 1.00 0.00 H new ATOM 394 N ASP A 30 -19.145 16.496 -2.276 1.00 0.00 N ATOM 395 CA ASP A 30 -19.894 15.796 -1.242 1.00 0.00 C ATOM 396 C ASP A 30 -19.121 15.797 0.079 1.00 0.00 C ATOM 397 O ASP A 30 -19.253 14.876 0.879 1.00 0.00 O ATOM 398 CB ASP A 30 -20.273 14.385 -1.720 1.00 0.00 C ATOM 399 CG ASP A 30 -19.065 13.587 -2.219 1.00 0.00 C ATOM 400 OD1 ASP A 30 -18.161 13.328 -1.395 1.00 0.00 O ATOM 401 OD2 ASP A 30 -19.068 13.249 -3.422 1.00 0.00 O ATOM 0 H ASP A 30 -18.149 16.562 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.828 16.324 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.748 13.844 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.008 14.462 -2.521 1.00 0.00 H new ATOM 406 N ASP A 31 -18.334 16.860 0.277 1.00 0.00 N ATOM 407 CA ASP A 31 -17.459 17.151 1.406 1.00 0.00 C ATOM 408 C ASP A 31 -16.714 18.446 1.129 1.00 0.00 C ATOM 409 O ASP A 31 -16.695 18.930 -0.002 1.00 0.00 O ATOM 410 CB ASP A 31 -16.421 16.034 1.649 1.00 0.00 C ATOM 411 CG ASP A 31 -16.936 14.845 2.459 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.609 15.094 3.483 1.00 0.00 O ATOM 413 OD2 ASP A 31 -16.639 13.705 2.041 1.00 0.00 O ATOM 0 H ASP A 31 -18.294 17.606 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 31 -18.084 17.230 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.066 15.672 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.562 16.462 2.165 1.00 0.00 H new ATOM 418 N THR A 32 -16.118 18.968 2.207 1.00 0.00 N ATOM 419 CA THR A 32 -15.341 20.187 2.315 1.00 0.00 C ATOM 420 C THR A 32 -14.928 20.819 0.981 1.00 0.00 C ATOM 421 O THR A 32 -13.988 20.376 0.335 1.00 0.00 O ATOM 422 CB THR A 32 -14.198 20.033 3.345 1.00 0.00 C ATOM 423 OG1 THR A 32 -13.159 20.960 3.100 1.00 0.00 O ATOM 424 CG2 THR A 32 -13.620 18.618 3.452 1.00 0.00 C ATOM 0 H THR A 32 -16.180 18.494 3.108 1.00 0.00 H new ATOM 0 HA THR A 32 -16.017 20.943 2.714 1.00 0.00 H new ATOM 0 HB THR A 32 -14.664 20.243 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.451 20.841 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.825 18.605 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.407 17.925 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.216 18.316 2.486 1.00 0.00 H new ATOM 432 N ALA A 33 -15.683 21.849 0.588 1.00 0.00 N ATOM 433 CA ALA A 33 -15.497 22.694 -0.594 1.00 0.00 C ATOM 434 C ALA A 33 -15.878 22.059 -1.933 1.00 0.00 C ATOM 435 O ALA A 33 -16.008 20.840 -2.045 1.00 0.00 O ATOM 436 CB ALA A 33 -14.064 23.245 -0.639 1.00 0.00 C ATOM 0 H ALA A 33 -16.500 22.134 1.128 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.212 23.507 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.942 23.871 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.874 23.839 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.357 22.417 -0.681 1.00 0.00 H new ATOM 442 N GLY A 34 -16.045 22.911 -2.958 1.00 0.00 N ATOM 443 CA GLY A 34 -16.400 22.480 -4.301 1.00 0.00 C ATOM 444 C GLY A 34 -16.627 23.649 -5.266 1.00 0.00 C ATOM 445 O GLY A 34 -17.774 24.043 -5.470 1.00 0.00 O ATOM 0 H GLY A 34 -15.935 23.921 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.608 21.842 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.305 21.874 -4.255 1.00 0.00 H new ATOM 449 N SER A 35 -15.549 24.207 -5.844 1.00 0.00 N ATOM 450 CA SER A 35 -15.554 25.295 -6.816 1.00 0.00 C ATOM 451 C SER A 35 -15.964 26.637 -6.227 1.00 0.00 C ATOM 452 O SER A 35 -17.146 26.875 -5.981 1.00 0.00 O ATOM 453 CB SER A 35 -16.374 24.937 -8.063 1.00 0.00 C ATOM 454 OG SER A 35 -15.930 23.711 -8.606 1.00 0.00 O ATOM 0 H SER A 35 -14.604 23.888 -5.629 1.00 0.00 H new ATOM 0 HA SER A 35 -14.517 25.421 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.430 24.867 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.280 25.728 -8.808 1.00 0.00 H new ATOM 0 HG SER A 35 -15.013 23.534 -8.308 1.00 0.00 H new ATOM 460 N SER A 36 -14.976 27.517 -6.021 1.00 0.00 N ATOM 461 CA SER A 36 -15.215 28.862 -5.492 1.00 0.00 C ATOM 462 C SER A 36 -14.043 29.616 -6.081 1.00 0.00 C ATOM 463 O SER A 36 -14.173 30.622 -6.774 1.00 0.00 O ATOM 464 CB SER A 36 -15.234 28.875 -3.956 1.00 0.00 C ATOM 465 OG SER A 36 -16.372 28.196 -3.471 1.00 0.00 O ATOM 0 H SER A 36 -13.995 27.317 -6.216 1.00 0.00 H new ATOM 0 HA SER A 36 -16.182 29.292 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.330 28.403 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.235 29.903 -3.595 1.00 0.00 H new ATOM 0 HG SER A 36 -16.861 27.800 -4.222 1.00 0.00 H new ATOM 471 N THR A 37 -12.895 29.043 -5.745 1.00 0.00 N ATOM 472 CA THR A 37 -11.572 29.368 -6.139 1.00 0.00 C ATOM 473 C THR A 37 -11.043 27.982 -6.567 1.00 0.00 C ATOM 474 O THR A 37 -10.713 27.795 -7.735 1.00 0.00 O ATOM 475 CB THR A 37 -10.851 30.044 -4.958 1.00 0.00 C ATOM 476 OG1 THR A 37 -10.928 29.231 -3.804 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.476 31.407 -4.639 1.00 0.00 C ATOM 0 H THR A 37 -12.894 28.244 -5.111 1.00 0.00 H new ATOM 0 HA THR A 37 -11.444 30.090 -6.945 1.00 0.00 H new ATOM 0 HB THR A 37 -9.809 30.184 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.386 29.720 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.948 31.862 -3.801 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.400 32.055 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.526 31.274 -4.377 1.00 0.00 H new ATOM 485 N TYR A 38 -10.977 27.017 -5.621 1.00 0.00 N ATOM 486 CA TYR A 38 -10.480 25.634 -5.733 1.00 0.00 C ATOM 487 C TYR A 38 -11.377 24.790 -4.838 1.00 0.00 C ATOM 488 O TYR A 38 -11.785 25.258 -3.773 1.00 0.00 O ATOM 489 CB TYR A 38 -8.991 25.534 -5.285 1.00 0.00 C ATOM 490 CG TYR A 38 -8.188 26.457 -6.169 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.344 27.821 -5.936 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.338 26.022 -7.200 1.00 0.00 C ATOM 493 CE1 TYR A 38 -7.728 28.768 -6.726 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.680 26.981 -7.994 1.00 0.00 C ATOM 495 CZ TYR A 38 -6.884 28.359 -7.772 1.00 0.00 C ATOM 496 OH TYR A 38 -6.261 29.288 -8.553 1.00 0.00 O ATOM 0 H TYR A 38 -11.302 27.209 -4.673 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.512 25.287 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.886 25.818 -4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.632 24.509 -5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.965 28.146 -5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.191 24.967 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.893 29.819 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.013 26.659 -8.780 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.096 30.099 -8.028 1.00 0.00 H new ATOM 506 N PRO A 39 -11.692 23.552 -5.233 1.00 0.00 N ATOM 507 CA PRO A 39 -11.242 22.863 -6.437 1.00 0.00 C ATOM 508 C PRO A 39 -12.052 23.253 -7.675 1.00 0.00 C ATOM 509 O PRO A 39 -13.254 23.471 -7.562 1.00 0.00 O ATOM 510 CB PRO A 39 -11.504 21.393 -6.143 1.00 0.00 C ATOM 511 CG PRO A 39 -12.744 21.442 -5.239 1.00 0.00 C ATOM 512 CD PRO A 39 -12.553 22.714 -4.432 1.00 0.00 C ATOM 0 HA PRO A 39 -10.202 23.109 -6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.690 20.825 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.657 20.923 -5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.664 21.473 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.805 20.565 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.508 23.203 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.102 22.500 -3.463 1.00 0.00 H new ATOM 520 N HIS A 40 -11.421 23.328 -8.856 1.00 0.00 N ATOM 521 CA HIS A 40 -12.128 23.679 -10.084 1.00 0.00 C ATOM 522 C HIS A 40 -11.411 23.166 -11.334 1.00 0.00 C ATOM 523 O HIS A 40 -10.191 23.019 -11.347 1.00 0.00 O ATOM 524 CB HIS A 40 -12.371 25.191 -10.166 1.00 0.00 C ATOM 525 CG HIS A 40 -11.133 26.004 -10.445 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.093 26.965 -11.441 1.00 0.00 N ATOM 527 CD2 HIS A 40 -9.877 26.011 -9.886 1.00 0.00 C ATOM 528 CE1 HIS A 40 -9.863 27.507 -11.424 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.073 26.972 -10.492 1.00 0.00 N ATOM 0 H HIS A 40 -10.424 23.150 -8.981 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.096 23.179 -10.048 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.104 25.387 -10.948 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.809 25.528 -9.227 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.558 25.360 -9.086 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.548 28.293 -12.094 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.106 27.211 -10.274 1.00 0.00 H new ATOM 537 N THR A 41 -12.203 22.909 -12.383 1.00 0.00 N ATOM 538 CA THR A 41 -11.825 22.400 -13.679 1.00 0.00 C ATOM 539 C THR A 41 -10.716 23.214 -14.343 1.00 0.00 C ATOM 540 O THR A 41 -10.677 24.439 -14.232 1.00 0.00 O ATOM 541 CB THR A 41 -13.107 22.399 -14.520 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.162 21.800 -13.792 1.00 0.00 O ATOM 543 CG2 THR A 41 -12.914 21.607 -15.802 1.00 0.00 C ATOM 0 H THR A 41 -13.209 23.071 -12.327 1.00 0.00 H new ATOM 0 HA THR A 41 -11.404 21.399 -13.583 1.00 0.00 H new ATOM 0 HB THR A 41 -13.346 23.435 -14.761 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.906 20.890 -13.533 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.837 21.621 -16.381 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.111 22.054 -16.388 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.655 20.577 -15.558 1.00 0.00 H new ATOM 551 N TYR A 42 -9.819 22.499 -15.030 1.00 0.00 N ATOM 552 CA TYR A 42 -8.691 23.061 -15.751 1.00 0.00 C ATOM 553 C TYR A 42 -9.083 23.336 -17.207 1.00 0.00 C ATOM 554 O TYR A 42 -9.731 22.505 -17.844 1.00 0.00 O ATOM 555 CB TYR A 42 -7.544 22.059 -15.651 1.00 0.00 C ATOM 556 CG TYR A 42 -6.189 22.589 -16.058 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.761 22.481 -17.392 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.351 23.177 -15.093 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.503 22.980 -17.762 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.084 23.658 -15.460 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.668 23.570 -16.799 1.00 0.00 C ATOM 562 OH TYR A 42 -2.447 24.051 -17.159 1.00 0.00 O ATOM 0 H TYR A 42 -9.867 21.482 -15.097 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.381 24.014 -15.323 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.483 21.702 -14.623 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.781 21.196 -16.274 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.398 22.016 -18.130 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.683 23.259 -14.068 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.176 22.910 -18.789 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.433 24.093 -14.717 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.999 24.427 -16.373 1.00 0.00 H new ATOM 572 N ASN A 43 -8.679 24.501 -17.733 1.00 0.00 N ATOM 573 CA ASN A 43 -8.976 24.933 -19.092 1.00 0.00 C ATOM 574 C ASN A 43 -8.210 24.112 -20.131 1.00 0.00 C ATOM 575 O ASN A 43 -6.994 23.957 -20.032 1.00 0.00 O ATOM 576 CB ASN A 43 -8.651 26.428 -19.244 1.00 0.00 C ATOM 577 CG ASN A 43 -9.854 27.302 -18.897 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.970 27.786 -17.774 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.747 27.509 -19.868 1.00 0.00 N ATOM 0 H ASN A 43 -8.125 25.178 -17.208 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.039 24.772 -19.272 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.813 26.687 -18.596 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.336 26.630 -20.268 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.567 28.090 -19.692 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.609 27.086 -20.786 1.00 0.00 H new ATOM 586 N ASN A 44 -8.939 23.599 -21.133 1.00 0.00 N ATOM 587 CA ASN A 44 -8.405 22.806 -22.232 1.00 0.00 C ATOM 588 C ASN A 44 -7.924 23.746 -23.342 1.00 0.00 C ATOM 589 O ASN A 44 -8.423 23.703 -24.466 1.00 0.00 O ATOM 590 CB ASN A 44 -9.482 21.832 -22.732 1.00 0.00 C ATOM 591 CG ASN A 44 -9.947 20.876 -21.635 1.00 0.00 C ATOM 592 OD1 ASN A 44 -11.038 21.035 -21.092 1.00 0.00 O ATOM 593 ND2 ASN A 44 -9.119 19.879 -21.310 1.00 0.00 N ATOM 0 H ASN A 44 -9.948 23.733 -21.196 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.553 22.214 -21.898 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.336 22.397 -23.105 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.089 21.257 -23.570 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.384 19.212 -20.585 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.222 19.785 -21.787 1.00 0.00 H new ATOM 600 N TYR A 45 -6.948 24.595 -23.003 1.00 0.00 N ATOM 601 CA TYR A 45 -6.334 25.587 -23.874 1.00 0.00 C ATOM 602 C TYR A 45 -4.830 25.318 -23.956 1.00 0.00 C ATOM 603 O TYR A 45 -4.286 24.528 -23.183 1.00 0.00 O ATOM 604 CB TYR A 45 -6.593 26.991 -23.304 1.00 0.00 C ATOM 605 CG TYR A 45 -7.927 27.611 -23.679 1.00 0.00 C ATOM 606 CD1 TYR A 45 -9.126 27.137 -23.113 1.00 0.00 C ATOM 607 CD2 TYR A 45 -7.967 28.681 -24.594 1.00 0.00 C ATOM 608 CE1 TYR A 45 -10.353 27.730 -23.457 1.00 0.00 C ATOM 609 CE2 TYR A 45 -9.194 29.273 -24.937 1.00 0.00 C ATOM 610 CZ TYR A 45 -10.388 28.804 -24.363 1.00 0.00 C ATOM 611 OH TYR A 45 -11.579 29.385 -24.688 1.00 0.00 O ATOM 0 H TYR A 45 -6.549 24.604 -22.064 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.763 25.526 -24.874 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.528 26.941 -22.217 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.796 27.654 -23.641 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.103 26.315 -22.412 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.051 29.048 -25.034 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.271 27.360 -23.024 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.220 30.090 -25.643 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.425 30.113 -25.326 1.00 0.00 H new ATOM 621 N GLU A 46 -4.158 25.979 -24.908 1.00 0.00 N ATOM 622 CA GLU A 46 -2.721 25.854 -25.108 1.00 0.00 C ATOM 623 C GLU A 46 -1.964 26.435 -23.909 1.00 0.00 C ATOM 624 O GLU A 46 -2.483 27.298 -23.203 1.00 0.00 O ATOM 625 CB GLU A 46 -2.314 26.505 -26.442 1.00 0.00 C ATOM 626 CG GLU A 46 -2.509 28.029 -26.497 1.00 0.00 C ATOM 627 CD GLU A 46 -1.220 28.787 -26.183 1.00 0.00 C ATOM 628 OE1 GLU A 46 -0.472 29.056 -27.148 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.001 29.088 -24.990 1.00 0.00 O ATOM 0 H GLU A 46 -4.607 26.619 -25.563 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.450 24.800 -25.171 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.266 26.279 -26.636 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.893 26.049 -27.245 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.863 28.313 -27.488 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.282 28.321 -25.786 1.00 0.00 H new ATOM 636 N GLY A 47 -0.740 25.943 -23.681 1.00 0.00 N ATOM 637 CA GLY A 47 0.130 26.363 -22.591 1.00 0.00 C ATOM 638 C GLY A 47 0.612 25.140 -21.816 1.00 0.00 C ATOM 639 O GLY A 47 1.670 24.595 -22.123 1.00 0.00 O ATOM 0 H GLY A 47 -0.322 25.222 -24.269 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.983 26.914 -22.986 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.406 27.039 -21.925 1.00 0.00 H new ATOM 643 N PHE A 48 -0.170 24.726 -20.809 1.00 0.00 N ATOM 644 CA PHE A 48 0.096 23.573 -19.956 1.00 0.00 C ATOM 645 C PHE A 48 -1.064 22.581 -20.049 1.00 0.00 C ATOM 646 O PHE A 48 -2.195 22.974 -20.329 1.00 0.00 O ATOM 647 CB PHE A 48 0.284 24.024 -18.500 1.00 0.00 C ATOM 648 CG PHE A 48 1.725 24.144 -18.057 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.510 25.230 -18.484 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.283 23.157 -17.221 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.850 25.330 -18.080 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.625 23.257 -16.819 1.00 0.00 C ATOM 653 CZ PHE A 48 4.407 24.343 -17.249 1.00 0.00 C ATOM 0 H PHE A 48 -1.035 25.207 -20.562 1.00 0.00 H new ATOM 0 HA PHE A 48 1.011 23.086 -20.294 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.204 24.989 -18.367 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.225 23.316 -17.846 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.081 25.987 -19.123 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.680 22.325 -16.890 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.453 26.164 -18.407 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.056 22.500 -16.180 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.439 24.419 -16.940 1.00 0.00 H new ATOM 663 N ASP A 49 -0.746 21.301 -19.811 1.00 0.00 N ATOM 664 CA ASP A 49 -1.629 20.140 -19.806 1.00 0.00 C ATOM 665 C ASP A 49 -0.749 18.889 -19.810 1.00 0.00 C ATOM 666 O ASP A 49 0.161 18.775 -20.629 1.00 0.00 O ATOM 667 CB ASP A 49 -2.614 20.109 -20.993 1.00 0.00 C ATOM 668 CG ASP A 49 -4.006 20.636 -20.636 1.00 0.00 C ATOM 669 OD1 ASP A 49 -4.582 20.115 -19.655 1.00 0.00 O ATOM 670 OD2 ASP A 49 -4.479 21.544 -21.353 1.00 0.00 O ATOM 0 H ASP A 49 0.216 21.036 -19.600 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.253 20.188 -18.914 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.206 20.704 -21.811 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.702 19.085 -21.357 1.00 0.00 H new ATOM 675 N PHE A 50 -1.034 17.952 -18.896 1.00 0.00 N ATOM 676 CA PHE A 50 -0.297 16.700 -18.742 1.00 0.00 C ATOM 677 C PHE A 50 -0.925 15.634 -19.658 1.00 0.00 C ATOM 678 O PHE A 50 -1.998 15.883 -20.206 1.00 0.00 O ATOM 679 CB PHE A 50 -0.271 16.316 -17.253 1.00 0.00 C ATOM 680 CG PHE A 50 -0.132 17.516 -16.328 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.977 18.379 -16.421 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.129 17.774 -15.375 1.00 0.00 C ATOM 683 CE1 PHE A 50 1.075 19.495 -15.569 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.034 18.885 -14.527 1.00 0.00 C ATOM 685 CZ PHE A 50 0.059 19.755 -14.631 1.00 0.00 C ATOM 0 H PHE A 50 -1.801 18.050 -18.231 1.00 0.00 H new ATOM 0 HA PHE A 50 0.743 16.799 -19.053 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.187 15.779 -17.007 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.558 15.630 -17.075 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.753 18.184 -17.147 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.977 17.110 -15.295 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.930 20.152 -15.635 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.804 19.071 -13.793 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.122 20.624 -13.992 1.00 0.00 H new ATOM 695 N PRO A 51 -0.291 14.460 -19.854 1.00 0.00 N ATOM 696 CA PRO A 51 -0.800 13.391 -20.713 1.00 0.00 C ATOM 697 C PRO A 51 -2.267 13.047 -20.436 1.00 0.00 C ATOM 698 O PRO A 51 -3.086 13.036 -21.351 1.00 0.00 O ATOM 699 CB PRO A 51 0.132 12.194 -20.484 1.00 0.00 C ATOM 700 CG PRO A 51 1.450 12.873 -20.117 1.00 0.00 C ATOM 701 CD PRO A 51 0.984 14.064 -19.282 1.00 0.00 C ATOM 0 HA PRO A 51 -0.798 13.703 -21.757 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.228 11.546 -19.685 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.228 11.576 -21.377 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.104 12.211 -19.550 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.004 13.189 -21.001 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.876 13.790 -18.233 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.705 14.880 -19.325 1.00 0.00 H new ATOM 709 N VAL A 52 -2.581 12.779 -19.163 1.00 0.00 N ATOM 710 CA VAL A 52 -3.919 12.454 -18.679 1.00 0.00 C ATOM 711 C VAL A 52 -4.847 13.662 -18.862 1.00 0.00 C ATOM 712 O VAL A 52 -4.374 14.797 -18.928 1.00 0.00 O ATOM 713 CB VAL A 52 -3.837 11.983 -17.216 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.011 10.694 -17.105 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.234 13.061 -16.306 1.00 0.00 C ATOM 0 H VAL A 52 -1.883 12.784 -18.419 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.344 11.635 -19.260 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.857 11.787 -16.885 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.966 10.379 -16.062 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.478 9.910 -17.701 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.001 10.876 -17.473 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.193 12.691 -15.282 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.227 13.302 -16.646 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.854 13.957 -16.343 1.00 0.00 H new ATOM 725 N ASP A 53 -6.166 13.427 -18.934 1.00 0.00 N ATOM 726 CA ASP A 53 -7.164 14.475 -19.148 1.00 0.00 C ATOM 727 C ASP A 53 -8.374 14.366 -18.209 1.00 0.00 C ATOM 728 O ASP A 53 -8.357 13.607 -17.240 1.00 0.00 O ATOM 729 CB ASP A 53 -7.571 14.450 -20.631 1.00 0.00 C ATOM 730 CG ASP A 53 -8.443 13.243 -20.978 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.888 12.123 -21.004 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.652 13.461 -21.211 1.00 0.00 O ATOM 0 H ASP A 53 -6.569 12.494 -18.844 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.720 15.439 -18.900 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.111 15.366 -20.872 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.674 14.437 -21.250 1.00 0.00 H new ATOM 737 N GLY A 54 -9.417 15.151 -18.520 1.00 0.00 N ATOM 738 CA GLY A 54 -10.684 15.268 -17.811 1.00 0.00 C ATOM 739 C GLY A 54 -11.318 13.924 -17.430 1.00 0.00 C ATOM 740 O GLY A 54 -11.283 13.006 -18.248 1.00 0.00 O ATOM 0 H GLY A 54 -9.386 15.763 -19.336 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.528 15.853 -16.905 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.385 15.825 -18.433 1.00 0.00 H new ATOM 744 N PRO A 55 -11.891 13.769 -16.217 1.00 0.00 N ATOM 745 CA PRO A 55 -11.973 14.735 -15.122 1.00 0.00 C ATOM 746 C PRO A 55 -10.580 15.131 -14.628 1.00 0.00 C ATOM 747 O PRO A 55 -9.733 14.264 -14.420 1.00 0.00 O ATOM 748 CB PRO A 55 -12.766 14.045 -14.013 1.00 0.00 C ATOM 749 CG PRO A 55 -13.535 12.947 -14.744 1.00 0.00 C ATOM 750 CD PRO A 55 -12.534 12.530 -15.815 1.00 0.00 C ATOM 0 HA PRO A 55 -12.456 15.657 -15.446 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.108 13.632 -13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.440 14.740 -13.512 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.796 12.120 -14.083 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.466 13.316 -15.175 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.809 11.816 -15.424 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.032 12.050 -16.658 1.00 0.00 H new ATOM 758 N TYR A 56 -10.359 16.440 -14.442 1.00 0.00 N ATOM 759 CA TYR A 56 -9.082 17.009 -14.030 1.00 0.00 C ATOM 760 C TYR A 56 -9.368 18.399 -13.472 1.00 0.00 C ATOM 761 O TYR A 56 -9.715 19.326 -14.207 1.00 0.00 O ATOM 762 CB TYR A 56 -8.229 16.923 -15.323 1.00 0.00 C ATOM 763 CG TYR A 56 -6.888 17.586 -15.599 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.570 18.877 -15.143 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.936 16.875 -16.363 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.330 19.448 -15.465 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.694 17.450 -16.681 1.00 0.00 C ATOM 768 CZ TYR A 56 -4.399 18.749 -16.243 1.00 0.00 C ATOM 769 OH TYR A 56 -3.208 19.332 -16.560 1.00 0.00 O ATOM 0 H TYR A 56 -11.085 17.143 -14.579 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.534 16.512 -13.230 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.060 15.858 -15.483 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.887 17.265 -16.122 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.280 19.429 -14.545 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.166 15.877 -16.707 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.090 20.439 -15.109 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.971 16.895 -17.260 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.583 19.227 -15.813 1.00 0.00 H new ATOM 779 N GLN A 57 -9.223 18.501 -12.145 1.00 0.00 N ATOM 780 CA GLN A 57 -9.455 19.693 -11.351 1.00 0.00 C ATOM 781 C GLN A 57 -8.183 20.034 -10.567 1.00 0.00 C ATOM 782 O GLN A 57 -7.328 19.180 -10.314 1.00 0.00 O ATOM 783 CB GLN A 57 -10.649 19.452 -10.410 1.00 0.00 C ATOM 784 CG GLN A 57 -12.042 19.514 -11.056 1.00 0.00 C ATOM 785 CD GLN A 57 -12.274 18.492 -12.166 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.546 18.858 -13.308 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.175 17.204 -11.836 1.00 0.00 N ATOM 0 H GLN A 57 -8.925 17.708 -11.576 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.695 20.539 -11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.529 18.473 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.609 20.190 -9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.794 19.366 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.195 20.514 -11.463 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.947 16.939 -10.878 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.327 16.484 -12.542 1.00 0.00 H new ATOM 796 N GLU A 58 -8.090 21.311 -10.181 1.00 0.00 N ATOM 797 CA GLU A 58 -6.977 21.898 -9.452 1.00 0.00 C ATOM 798 C GLU A 58 -7.148 21.798 -7.939 1.00 0.00 C ATOM 799 O GLU A 58 -8.261 21.624 -7.445 1.00 0.00 O ATOM 800 CB GLU A 58 -6.873 23.378 -9.851 1.00 0.00 C ATOM 801 CG GLU A 58 -6.551 23.548 -11.342 1.00 0.00 C ATOM 802 CD GLU A 58 -6.565 25.013 -11.764 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.657 25.746 -11.315 1.00 0.00 O ATOM 804 OE2 GLU A 58 -7.481 25.372 -12.536 1.00 0.00 O ATOM 0 H GLU A 58 -8.826 21.989 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.073 21.346 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.812 23.882 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.099 23.861 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.571 23.119 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.277 22.992 -11.936 1.00 0.00 H new ATOM 811 N PHE A 59 -6.024 21.897 -7.214 1.00 0.00 N ATOM 812 CA PHE A 59 -5.983 21.873 -5.761 1.00 0.00 C ATOM 813 C PHE A 59 -4.672 22.514 -5.290 1.00 0.00 C ATOM 814 O PHE A 59 -3.601 21.997 -5.593 1.00 0.00 O ATOM 815 CB PHE A 59 -6.102 20.460 -5.208 1.00 0.00 C ATOM 816 CG PHE A 59 -5.953 20.525 -3.707 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.024 20.990 -2.929 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.751 20.142 -3.091 1.00 0.00 C ATOM 819 CE1 PHE A 59 -6.899 21.072 -1.534 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.629 20.226 -1.698 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.701 20.689 -0.919 1.00 0.00 C ATOM 0 H PHE A 59 -5.103 21.998 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.837 22.437 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.066 20.027 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.334 19.818 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.947 21.286 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.925 19.785 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.724 21.430 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.705 19.933 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.602 20.750 0.155 1.00 0.00 H new ATOM 831 N PRO A 60 -4.714 23.623 -4.539 1.00 0.00 N ATOM 832 CA PRO A 60 -3.518 24.308 -4.108 1.00 0.00 C ATOM 833 C PRO A 60 -2.779 23.753 -2.870 1.00 0.00 C ATOM 834 O PRO A 60 -3.384 23.364 -1.875 1.00 0.00 O ATOM 835 CB PRO A 60 -3.990 25.744 -3.999 1.00 0.00 C ATOM 836 CG PRO A 60 -5.366 25.582 -3.357 1.00 0.00 C ATOM 837 CD PRO A 60 -5.890 24.327 -4.061 1.00 0.00 C ATOM 0 HA PRO A 60 -2.702 24.167 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.322 26.347 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.050 26.228 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.301 25.449 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.005 26.447 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.466 23.706 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.552 24.589 -4.887 1.00 0.00 H new ATOM 845 N ILE A 61 -1.445 23.735 -3.006 1.00 0.00 N ATOM 846 CA ILE A 61 -0.323 23.329 -2.136 1.00 0.00 C ATOM 847 C ILE A 61 0.539 24.473 -1.611 1.00 0.00 C ATOM 848 O ILE A 61 1.490 24.296 -0.852 1.00 0.00 O ATOM 849 CB ILE A 61 0.599 22.520 -3.055 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.050 21.123 -3.369 1.00 0.00 C ATOM 851 CG2 ILE A 61 2.103 22.410 -2.769 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.423 20.060 -2.321 1.00 0.00 C ATOM 0 H ILE A 61 -1.060 24.066 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.741 22.818 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 61 0.569 23.192 -3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.036 21.178 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.423 20.806 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.575 21.795 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.548 23.405 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.255 21.952 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.000 19.099 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.508 19.975 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.026 20.353 -1.349 1.00 0.00 H new ATOM 864 N LYS A 62 0.146 25.650 -2.026 1.00 0.00 N ATOM 865 CA LYS A 62 0.789 26.925 -1.757 1.00 0.00 C ATOM 866 C LYS A 62 0.566 27.449 -0.349 1.00 0.00 C ATOM 867 O LYS A 62 -0.496 27.961 0.004 1.00 0.00 O ATOM 868 CB LYS A 62 0.241 28.004 -2.691 1.00 0.00 C ATOM 869 CG LYS A 62 -1.293 28.039 -2.825 1.00 0.00 C ATOM 870 CD LYS A 62 -1.861 29.450 -2.627 1.00 0.00 C ATOM 871 CE LYS A 62 -3.392 29.456 -2.626 1.00 0.00 C ATOM 872 NZ LYS A 62 -3.939 28.754 -1.452 1.00 0.00 N ATOM 0 H LYS A 62 -0.689 25.758 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 62 1.851 26.731 -1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.581 28.977 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.673 27.858 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.578 27.670 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.735 27.365 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.496 29.859 -1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.496 30.102 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.752 30.485 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.758 28.982 -3.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.937 29.016 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.867 27.727 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.400 29.023 -0.604 1.00 0.00 H new ATOM 886 N SER A 63 1.663 27.289 0.401 1.00 0.00 N ATOM 887 CA SER A 63 1.947 27.618 1.791 1.00 0.00 C ATOM 888 C SER A 63 0.729 27.717 2.712 1.00 0.00 C ATOM 889 O SER A 63 0.694 28.533 3.632 1.00 0.00 O ATOM 890 CB SER A 63 2.843 28.857 1.840 1.00 0.00 C ATOM 891 OG SER A 63 3.983 28.668 1.028 1.00 0.00 O ATOM 0 H SER A 63 2.487 26.863 -0.023 1.00 0.00 H new ATOM 0 HA SER A 63 2.480 26.765 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.287 29.731 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.148 29.053 2.868 1.00 0.00 H new ATOM 0 HG SER A 63 4.548 29.468 1.066 1.00 0.00 H new ATOM 897 N GLY A 64 -0.270 26.878 2.437 1.00 0.00 N ATOM 898 CA GLY A 64 -1.506 26.778 3.195 1.00 0.00 C ATOM 899 C GLY A 64 -1.921 25.323 3.401 1.00 0.00 C ATOM 900 O GLY A 64 -3.106 25.020 3.307 1.00 0.00 O ATOM 0 H GLY A 64 -0.234 26.229 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.380 27.262 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.299 27.313 2.672 1.00 0.00 H new ATOM 904 N GLY A 65 -0.958 24.432 3.681 1.00 0.00 N ATOM 905 CA GLY A 65 -1.175 23.010 3.924 1.00 0.00 C ATOM 906 C GLY A 65 -2.165 22.374 2.943 1.00 0.00 C ATOM 907 O GLY A 65 -1.896 22.315 1.744 1.00 0.00 O ATOM 0 H GLY A 65 0.025 24.697 3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.221 22.487 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.543 22.874 4.941 1.00 0.00 H new ATOM 911 N VAL A 66 -3.311 21.913 3.471 1.00 0.00 N ATOM 912 CA VAL A 66 -4.390 21.285 2.712 1.00 0.00 C ATOM 913 C VAL A 66 -5.474 22.328 2.398 1.00 0.00 C ATOM 914 O VAL A 66 -6.666 22.100 2.594 1.00 0.00 O ATOM 915 CB VAL A 66 -4.875 20.032 3.474 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.604 20.336 4.794 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.720 19.105 2.591 1.00 0.00 C ATOM 0 H VAL A 66 -3.512 21.972 4.469 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.052 20.927 1.739 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.958 19.510 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.910 19.401 5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.935 20.876 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.484 20.946 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.037 18.239 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.598 19.643 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.126 18.773 1.739 1.00 0.00 H new ATOM 927 N TYR A 67 -5.031 23.485 1.889 1.00 0.00 N ATOM 928 CA TYR A 67 -5.841 24.637 1.529 1.00 0.00 C ATOM 929 C TYR A 67 -6.582 25.200 2.747 1.00 0.00 C ATOM 930 O TYR A 67 -7.797 25.062 2.874 1.00 0.00 O ATOM 931 CB TYR A 67 -6.749 24.358 0.323 1.00 0.00 C ATOM 932 CG TYR A 67 -7.557 25.566 -0.125 1.00 0.00 C ATOM 933 CD1 TYR A 67 -6.917 26.800 -0.361 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.950 25.466 -0.295 1.00 0.00 C ATOM 935 CE1 TYR A 67 -7.664 27.920 -0.759 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.698 26.586 -0.696 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.055 27.816 -0.920 1.00 0.00 C ATOM 938 OH TYR A 67 -9.780 28.908 -1.294 1.00 0.00 O ATOM 0 H TYR A 67 -4.039 23.643 1.710 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.168 25.427 1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.136 24.012 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.433 23.547 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.848 26.884 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.447 24.524 -0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.169 28.862 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.766 26.502 -0.832 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.054 28.814 -2.230 1.00 0.00 H new ATOM 948 N THR A 68 -5.807 25.828 3.638 1.00 0.00 N ATOM 949 CA THR A 68 -6.238 26.478 4.865 1.00 0.00 C ATOM 950 C THR A 68 -5.789 27.934 4.728 1.00 0.00 C ATOM 951 O THR A 68 -4.986 28.428 5.518 1.00 0.00 O ATOM 952 CB THR A 68 -5.603 25.776 6.080 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.194 25.745 5.962 1.00 0.00 O ATOM 954 CG2 THR A 68 -6.119 24.342 6.239 1.00 0.00 C ATOM 0 H THR A 68 -4.798 25.896 3.506 1.00 0.00 H new ATOM 0 HA THR A 68 -7.316 26.425 5.021 1.00 0.00 H new ATOM 0 HB THR A 68 -5.886 26.352 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.947 25.357 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.648 23.880 7.107 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.200 24.358 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.877 23.767 5.345 1.00 0.00 H new ATOM 962 N GLY A 69 -6.316 28.611 3.699 1.00 0.00 N ATOM 963 CA GLY A 69 -5.989 29.991 3.378 1.00 0.00 C ATOM 964 C GLY A 69 -4.778 29.998 2.442 1.00 0.00 C ATOM 965 O GLY A 69 -4.547 29.028 1.719 1.00 0.00 O ATOM 0 H GLY A 69 -6.994 28.199 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.839 30.481 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.768 30.549 4.288 1.00 0.00 H new ATOM 969 N GLY A 70 -4.001 31.088 2.457 1.00 0.00 N ATOM 970 CA GLY A 70 -2.811 31.227 1.632 1.00 0.00 C ATOM 971 C GLY A 70 -2.501 32.692 1.340 1.00 0.00 C ATOM 972 O GLY A 70 -3.101 33.591 1.927 1.00 0.00 O ATOM 0 H GLY A 70 -4.188 31.898 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.961 30.768 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.952 30.690 0.694 1.00 0.00 H new ATOM 976 N SER A 71 -1.559 32.912 0.415 1.00 0.00 N ATOM 977 CA SER A 71 -1.112 34.224 -0.029 1.00 0.00 C ATOM 978 C SER A 71 -0.448 34.118 -1.407 1.00 0.00 C ATOM 979 O SER A 71 -1.020 34.629 -2.368 1.00 0.00 O ATOM 980 CB SER A 71 -0.220 34.904 1.022 1.00 0.00 C ATOM 981 OG SER A 71 -1.004 35.531 2.014 1.00 0.00 O ATOM 0 H SER A 71 -1.074 32.149 -0.058 1.00 0.00 H new ATOM 0 HA SER A 71 -1.980 34.873 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.435 34.165 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.422 35.641 0.539 1.00 0.00 H new ATOM 0 HG SER A 71 -1.816 35.005 2.171 1.00 0.00 H new ATOM 987 N PRO A 72 0.733 33.482 -1.550 1.00 0.00 N ATOM 988 CA PRO A 72 1.399 33.352 -2.837 1.00 0.00 C ATOM 989 C PRO A 72 0.624 32.379 -3.725 1.00 0.00 C ATOM 990 O PRO A 72 0.701 31.169 -3.533 1.00 0.00 O ATOM 991 CB PRO A 72 2.808 32.844 -2.524 1.00 0.00 C ATOM 992 CG PRO A 72 2.610 32.042 -1.238 1.00 0.00 C ATOM 993 CD PRO A 72 1.535 32.850 -0.512 1.00 0.00 C ATOM 0 HA PRO A 72 1.446 34.295 -3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.201 32.224 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.510 33.665 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.284 31.022 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.529 31.973 -0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.921 32.205 0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.985 33.597 0.142 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.111 32.921 -4.704 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.928 32.170 -5.642 1.00 0.00 C ATOM 1003 C GLY A 73 -0.010 31.532 -6.670 1.00 0.00 C ATOM 1004 O GLY A 73 0.117 32.064 -7.772 1.00 0.00 O ATOM 0 H GLY A 73 -0.149 33.928 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.501 31.405 -5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.646 32.828 -6.131 1.00 0.00 H new ATOM 1008 N ALA A 74 0.629 30.404 -6.317 1.00 0.00 N ATOM 1009 CA ALA A 74 1.551 29.746 -7.226 1.00 0.00 C ATOM 1010 C ALA A 74 1.582 28.219 -7.133 1.00 0.00 C ATOM 1011 O ALA A 74 1.100 27.583 -8.066 1.00 0.00 O ATOM 1012 CB ALA A 74 2.939 30.383 -7.092 1.00 0.00 C ATOM 0 H ALA A 74 0.518 29.941 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 74 1.172 29.914 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.633 29.891 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.878 31.443 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.294 30.269 -6.068 1.00 0.00 H new ATOM 1018 N ASP A 75 2.126 27.630 -6.054 1.00 0.00 N ATOM 1019 CA ASP A 75 2.244 26.177 -5.889 1.00 0.00 C ATOM 1020 C ASP A 75 0.896 25.458 -5.812 1.00 0.00 C ATOM 1021 O ASP A 75 0.076 25.765 -4.948 1.00 0.00 O ATOM 1022 CB ASP A 75 3.096 25.815 -4.661 1.00 0.00 C ATOM 1023 CG ASP A 75 4.220 26.809 -4.378 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.289 26.664 -5.007 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.989 27.701 -3.532 1.00 0.00 O ATOM 0 H ASP A 75 2.499 28.158 -5.265 1.00 0.00 H new ATOM 0 HA ASP A 75 2.744 25.827 -6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.449 25.754 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.527 24.825 -4.808 1.00 0.00 H new ATOM 1030 N ARG A 76 0.664 24.488 -6.707 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.575 23.729 -6.718 1.00 0.00 C ATOM 1032 C ARG A 76 -0.456 22.410 -7.469 1.00 0.00 C ATOM 1033 O ARG A 76 0.116 22.366 -8.558 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.748 24.574 -7.250 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.698 24.915 -8.741 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.920 25.770 -9.093 1.00 0.00 C ATOM 1037 NE ARG A 76 -2.730 27.160 -8.655 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.225 28.258 -9.253 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.017 28.175 -10.333 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -2.913 29.464 -8.755 1.00 0.00 N ATOM 0 H ARG A 76 1.327 24.216 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.787 23.473 -5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.677 24.040 -7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.787 25.505 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.780 25.454 -8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.692 24.002 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.090 25.743 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.809 25.353 -8.620 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.168 27.306 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.257 27.262 -10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.379 29.024 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.310 29.537 -7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.279 30.308 -9.195 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.991 21.336 -6.867 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.007 20.027 -7.495 1.00 0.00 C ATOM 1056 C VAL A 77 -2.348 19.961 -8.202 1.00 0.00 C ATOM 1057 O VAL A 77 -3.366 20.462 -7.722 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.805 18.832 -6.556 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.652 18.776 -6.079 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.810 18.758 -5.401 1.00 0.00 C ATOM 0 H VAL A 77 -1.418 21.360 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.151 19.936 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.015 17.935 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.784 17.924 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.313 18.670 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.896 19.695 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.595 17.884 -4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.731 19.658 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.820 18.680 -5.802 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.331 19.339 -9.368 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.503 19.212 -10.197 1.00 0.00 C ATOM 1072 C VAL A 78 -3.607 17.711 -10.430 1.00 0.00 C ATOM 1073 O VAL A 78 -2.655 17.088 -10.900 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.287 20.167 -11.371 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.386 20.032 -12.421 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.192 21.621 -10.831 1.00 0.00 C ATOM 0 H VAL A 78 -1.495 18.907 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.479 19.513 -9.816 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.353 19.907 -11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.196 20.728 -13.238 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.397 19.013 -12.807 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.351 20.259 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.038 22.309 -11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.116 21.878 -10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.355 21.697 -10.137 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.773 17.147 -10.084 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.027 15.714 -10.151 1.00 0.00 C ATOM 1088 C ILE A 79 -6.350 15.389 -10.870 1.00 0.00 C ATOM 1089 O ILE A 79 -7.101 16.301 -11.216 1.00 0.00 O ATOM 1090 CB ILE A 79 -4.929 15.187 -8.704 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.001 15.805 -7.794 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -3.558 15.519 -8.077 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -6.390 14.842 -6.671 1.00 0.00 C ATOM 0 H ILE A 79 -5.571 17.686 -9.747 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.288 15.201 -10.766 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.071 14.109 -8.772 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.628 16.736 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.883 16.056 -8.384 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.521 15.134 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.766 15.058 -8.668 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.417 16.600 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.150 15.305 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.786 13.922 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.511 14.612 -6.068 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.636 14.089 -11.079 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.822 13.581 -11.772 1.00 0.00 C ATOM 1107 C ASN A 80 -8.858 13.148 -10.741 1.00 0.00 C ATOM 1108 O ASN A 80 -8.489 12.534 -9.737 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.474 12.396 -12.680 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.392 12.741 -13.696 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -6.665 13.374 -14.714 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.160 12.313 -13.420 1.00 0.00 N ATOM 0 H ASN A 80 -6.021 13.342 -10.756 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.223 14.378 -12.398 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.140 11.558 -12.068 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.371 12.069 -13.206 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.396 12.508 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.982 11.791 -12.562 1.00 0.00 H new ATOM 1119 N THR A 81 -10.144 13.447 -10.993 1.00 0.00 N ATOM 1120 CA THR A 81 -11.251 13.168 -10.078 1.00 0.00 C ATOM 1121 C THR A 81 -11.418 11.818 -9.412 1.00 0.00 C ATOM 1122 O THR A 81 -12.217 11.738 -8.476 1.00 0.00 O ATOM 1123 CB THR A 81 -12.562 13.867 -10.460 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.151 14.457 -9.318 1.00 0.00 O ATOM 1125 CG2 THR A 81 -13.579 12.904 -11.086 1.00 0.00 C ATOM 0 H THR A 81 -10.443 13.898 -11.857 1.00 0.00 H new ATOM 0 HA THR A 81 -10.831 13.662 -9.202 1.00 0.00 H new ATOM 0 HB THR A 81 -12.306 14.626 -11.199 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.448 14.749 -8.701 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.489 13.449 -11.338 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.156 12.466 -11.990 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.815 12.112 -10.375 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.706 10.768 -9.835 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.851 9.517 -9.134 1.00 0.00 C ATOM 1135 C ASN A 82 -9.943 9.789 -7.936 1.00 0.00 C ATOM 1136 O ASN A 82 -10.420 10.145 -6.861 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.439 8.330 -10.019 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.403 7.019 -9.233 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.083 6.875 -8.219 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -9.604 6.056 -9.700 1.00 0.00 N ATOM 0 H ASN A 82 -10.057 10.767 -10.622 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.861 9.230 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.139 8.236 -10.850 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.456 8.522 -10.450 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.543 5.163 -9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.055 6.214 -10.545 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.640 9.602 -8.149 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.579 9.831 -7.176 1.00 0.00 C ATOM 1149 C CYS A 83 -6.170 9.918 -7.780 1.00 0.00 C ATOM 1150 O CYS A 83 -5.215 10.113 -7.028 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.650 8.790 -6.047 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.464 9.426 -4.356 1.00 0.00 S ATOM 0 H CYS A 83 -8.283 9.272 -9.046 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.762 10.822 -6.760 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.608 8.275 -6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.874 8.044 -6.220 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.012 9.793 -9.110 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.703 9.773 -9.752 1.00 0.00 C ATOM 1159 C GLU A 84 -4.101 11.157 -9.996 1.00 0.00 C ATOM 1160 O GLU A 84 -4.745 12.020 -10.580 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.813 8.927 -11.034 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.540 8.134 -11.359 1.00 0.00 C ATOM 1163 CD GLU A 84 -2.409 9.013 -11.874 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.589 9.564 -12.981 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -1.389 9.108 -11.159 1.00 0.00 O ATOM 0 H GLU A 84 -6.792 9.704 -9.761 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.989 9.315 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.647 8.233 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.046 9.583 -11.873 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.207 7.609 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.772 7.375 -12.106 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.857 11.353 -9.541 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.083 12.583 -9.683 1.00 0.00 C ATOM 1174 C TYR A 85 -1.787 12.832 -11.164 1.00 0.00 C ATOM 1175 O TYR A 85 -1.404 11.903 -11.871 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.815 12.437 -8.806 1.00 0.00 C ATOM 1177 CG TYR A 85 0.390 13.337 -9.065 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.142 13.166 -10.246 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.782 14.330 -8.138 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.260 13.971 -10.507 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.903 15.137 -8.407 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.643 14.959 -9.589 1.00 0.00 C ATOM 1183 OH TYR A 85 3.736 15.734 -9.842 1.00 0.00 O ATOM 0 H TYR A 85 -2.345 10.625 -9.043 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.630 13.461 -9.338 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.117 12.587 -7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.476 11.405 -8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.853 12.406 -10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.222 14.469 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.826 13.830 -11.416 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.197 15.899 -7.700 1.00 0.00 H new ATOM 0 HH TYR A 85 3.990 15.644 -10.784 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.956 14.076 -11.636 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.722 14.435 -13.031 1.00 0.00 C ATOM 1195 C ALA A 86 -0.381 15.154 -13.186 1.00 0.00 C ATOM 1196 O ALA A 86 0.417 14.771 -14.040 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.892 15.247 -13.591 1.00 0.00 C ATOM 0 H ALA A 86 -2.259 14.858 -11.056 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.664 13.521 -13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.693 15.502 -14.632 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.806 14.657 -13.531 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.011 16.161 -13.010 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.126 16.192 -12.377 1.00 0.00 N ATOM 1204 CA GLY A 87 1.132 16.918 -12.446 1.00 0.00 C ATOM 1205 C GLY A 87 1.185 18.102 -11.482 1.00 0.00 C ATOM 1206 O GLY A 87 0.195 18.811 -11.299 1.00 0.00 O ATOM 0 H GLY A 87 -0.777 16.540 -11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.953 16.236 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.284 17.277 -13.464 1.00 0.00 H new ATOM 1210 N ALA A 88 2.359 18.293 -10.862 1.00 0.00 N ATOM 1211 CA ALA A 88 2.647 19.375 -9.932 1.00 0.00 C ATOM 1212 C ALA A 88 3.214 20.547 -10.731 1.00 0.00 C ATOM 1213 O ALA A 88 4.130 20.361 -11.534 1.00 0.00 O ATOM 1214 CB ALA A 88 3.641 18.907 -8.870 1.00 0.00 C ATOM 0 H ALA A 88 3.156 17.673 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 88 1.738 19.687 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.849 19.725 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.217 18.067 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.568 18.594 -9.351 1.00 0.00 H new ATOM 1220 N ILE A 89 2.674 21.751 -10.502 1.00 0.00 N ATOM 1221 CA ILE A 89 3.064 22.979 -11.186 1.00 0.00 C ATOM 1222 C ILE A 89 3.056 24.159 -10.210 1.00 0.00 C ATOM 1223 O ILE A 89 2.512 24.048 -9.111 1.00 0.00 O ATOM 1224 CB ILE A 89 2.123 23.213 -12.386 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.640 23.166 -11.963 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.420 22.203 -13.498 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.325 23.580 -13.081 1.00 0.00 C ATOM 0 H ILE A 89 1.934 21.896 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 89 4.082 22.886 -11.565 1.00 0.00 H new ATOM 0 HB ILE A 89 2.310 24.214 -12.774 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.395 22.155 -11.637 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.493 23.822 -11.105 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.749 22.379 -14.339 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.453 22.318 -13.828 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.270 21.192 -13.120 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.350 23.524 -12.716 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.105 24.602 -13.391 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.206 22.909 -13.932 1.00 0.00 H new ATOM 1239 N THR A 90 3.666 25.290 -10.605 1.00 0.00 N ATOM 1240 CA THR A 90 3.736 26.475 -9.758 1.00 0.00 C ATOM 1241 C THR A 90 3.986 27.791 -10.510 1.00 0.00 C ATOM 1242 O THR A 90 4.671 27.789 -11.530 1.00 0.00 O ATOM 1243 CB THR A 90 4.848 26.273 -8.708 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.924 27.405 -7.866 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.226 26.036 -9.345 1.00 0.00 C ATOM 0 H THR A 90 4.118 25.400 -11.513 1.00 0.00 H new ATOM 0 HA THR A 90 2.753 26.577 -9.299 1.00 0.00 H new ATOM 0 HB THR A 90 4.585 25.383 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.042 27.115 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.971 25.900 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.190 25.143 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.497 26.896 -9.957 1.00 0.00 H new ATOM 1253 N HIS A 91 3.415 28.910 -10.018 1.00 0.00 N ATOM 1254 CA HIS A 91 3.664 30.251 -10.590 1.00 0.00 C ATOM 1255 C HIS A 91 4.971 30.863 -10.019 1.00 0.00 C ATOM 1256 O HIS A 91 5.188 32.065 -10.165 1.00 0.00 O ATOM 1257 CB HIS A 91 2.540 31.300 -10.364 1.00 0.00 C ATOM 1258 CG HIS A 91 1.182 31.017 -10.931 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.161 31.955 -10.959 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.661 29.903 -11.511 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.900 31.372 -11.544 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.657 30.111 -11.902 1.00 0.00 N ATOM 0 H HIS A 91 2.776 28.912 -9.223 1.00 0.00 H new ATOM 0 HA HIS A 91 3.723 30.057 -11.661 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.429 31.442 -9.289 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.882 32.249 -10.777 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.200 28.978 -11.650 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.844 31.870 -11.706 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.290 29.453 -12.356 1.00 0.00 H new ATOM 1270 N THR A 92 5.845 30.066 -9.377 1.00 0.00 N ATOM 1271 CA THR A 92 7.099 30.488 -8.740 1.00 0.00 C ATOM 1272 C THR A 92 7.944 31.522 -9.490 1.00 0.00 C ATOM 1273 O THR A 92 8.430 32.474 -8.882 1.00 0.00 O ATOM 1274 CB THR A 92 7.924 29.269 -8.306 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.935 29.656 -7.398 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.570 28.592 -9.512 1.00 0.00 C ATOM 0 H THR A 92 5.685 29.063 -9.286 1.00 0.00 H new ATOM 0 HA THR A 92 6.776 31.046 -7.861 1.00 0.00 H new ATOM 0 HB THR A 92 7.247 28.565 -7.821 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.013 28.984 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.149 27.731 -9.179 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.794 28.262 -10.203 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.228 29.299 -10.017 1.00 0.00 H new ATOM 1284 N GLY A 93 8.125 31.330 -10.795 1.00 0.00 N ATOM 1285 CA GLY A 93 8.912 32.202 -11.649 1.00 0.00 C ATOM 1286 C GLY A 93 8.350 32.156 -13.058 1.00 0.00 C ATOM 1287 O GLY A 93 9.059 31.826 -14.006 1.00 0.00 O ATOM 0 H GLY A 93 7.715 30.542 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.888 33.223 -11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.955 31.886 -11.650 1.00 0.00 H new ATOM 1291 N ALA A 94 7.061 32.493 -13.163 1.00 0.00 N ATOM 1292 CA ALA A 94 6.312 32.529 -14.403 1.00 0.00 C ATOM 1293 C ALA A 94 5.867 33.962 -14.697 1.00 0.00 C ATOM 1294 O ALA A 94 6.090 34.871 -13.896 1.00 0.00 O ATOM 1295 CB ALA A 94 5.130 31.572 -14.274 1.00 0.00 C ATOM 0 H ALA A 94 6.499 32.756 -12.353 1.00 0.00 H new ATOM 0 HA ALA A 94 6.928 32.209 -15.243 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.551 31.583 -15.197 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.498 30.563 -14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.496 31.886 -13.445 1.00 0.00 H new ATOM 1301 N SER A 95 5.236 34.156 -15.860 1.00 0.00 N ATOM 1302 CA SER A 95 4.747 35.441 -16.335 1.00 0.00 C ATOM 1303 C SER A 95 3.375 35.764 -15.733 1.00 0.00 C ATOM 1304 O SER A 95 2.393 35.951 -16.452 1.00 0.00 O ATOM 1305 CB SER A 95 4.734 35.436 -17.865 1.00 0.00 C ATOM 1306 OG SER A 95 4.386 36.710 -18.365 1.00 0.00 O ATOM 0 H SER A 95 5.049 33.395 -16.512 1.00 0.00 H new ATOM 0 HA SER A 95 5.415 36.237 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.716 35.148 -18.241 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.024 34.692 -18.225 1.00 0.00 H new ATOM 0 HG SER A 95 3.490 36.951 -18.051 1.00 0.00 H new ATOM 1312 N GLY A 96 3.325 35.817 -14.399 1.00 0.00 N ATOM 1313 CA GLY A 96 2.142 36.136 -13.616 1.00 0.00 C ATOM 1314 C GLY A 96 1.145 34.982 -13.558 1.00 0.00 C ATOM 1315 O GLY A 96 1.194 34.165 -12.641 1.00 0.00 O ATOM 0 H GLY A 96 4.143 35.631 -13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.443 36.402 -12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.654 37.012 -14.044 1.00 0.00 H new ATOM 1319 N ASN A 97 0.248 34.919 -14.550 1.00 0.00 N ATOM 1320 CA ASN A 97 -0.791 33.900 -14.650 1.00 0.00 C ATOM 1321 C ASN A 97 -0.232 32.590 -15.203 1.00 0.00 C ATOM 1322 O ASN A 97 -0.790 31.527 -14.936 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.927 34.414 -15.542 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.557 35.689 -14.984 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.408 36.762 -15.563 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -3.261 35.571 -13.855 1.00 0.00 N ATOM 0 H ASN A 97 0.228 35.590 -15.318 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.176 33.699 -13.650 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.543 34.607 -16.544 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.691 33.643 -15.637 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.701 36.392 -13.440 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.359 34.659 -13.408 1.00 0.00 H new ATOM 1333 N ASN A 98 0.870 32.664 -15.962 1.00 0.00 N ATOM 1334 CA ASN A 98 1.543 31.518 -16.551 1.00 0.00 C ATOM 1335 C ASN A 98 2.076 30.590 -15.446 1.00 0.00 C ATOM 1336 O ASN A 98 2.069 30.937 -14.265 1.00 0.00 O ATOM 1337 CB ASN A 98 2.642 32.048 -17.484 1.00 0.00 C ATOM 1338 CG ASN A 98 3.433 30.959 -18.212 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.854 30.007 -18.732 1.00 0.00 O ATOM 1340 ND2 ASN A 98 4.761 31.096 -18.244 1.00 0.00 N ATOM 0 H ASN A 98 1.323 33.550 -16.184 1.00 0.00 H new ATOM 0 HA ASN A 98 0.857 30.911 -17.142 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.187 32.706 -18.224 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.335 32.655 -16.901 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.335 30.395 -18.713 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.201 31.902 -17.800 1.00 0.00 H new ATOM 1347 N PHE A 99 2.537 29.401 -15.847 1.00 0.00 N ATOM 1348 CA PHE A 99 3.060 28.361 -14.980 1.00 0.00 C ATOM 1349 C PHE A 99 4.410 27.839 -15.470 1.00 0.00 C ATOM 1350 O PHE A 99 4.847 28.130 -16.581 1.00 0.00 O ATOM 1351 CB PHE A 99 2.080 27.173 -15.068 1.00 0.00 C ATOM 1352 CG PHE A 99 1.049 27.117 -13.973 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.458 26.694 -12.699 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.294 27.460 -14.207 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.533 26.615 -11.649 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.224 27.383 -13.156 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.803 26.972 -11.879 1.00 0.00 C ATOM 0 H PHE A 99 2.553 29.133 -16.831 1.00 0.00 H new ATOM 0 HA PHE A 99 3.176 28.768 -13.976 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.566 27.216 -16.028 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.654 26.246 -15.054 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.490 26.428 -12.527 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.609 27.781 -15.189 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.847 26.282 -10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.259 27.639 -13.329 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.515 26.931 -11.068 1.00 0.00 H new ATOM 1367 N VAL A 100 5.050 27.067 -14.586 1.00 0.00 N ATOM 1368 CA VAL A 100 6.311 26.373 -14.786 1.00 0.00 C ATOM 1369 C VAL A 100 6.140 25.004 -14.128 1.00 0.00 C ATOM 1370 O VAL A 100 5.259 24.807 -13.288 1.00 0.00 O ATOM 1371 CB VAL A 100 7.565 27.130 -14.321 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.858 28.316 -15.241 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.501 27.571 -12.863 1.00 0.00 C ATOM 0 H VAL A 100 4.670 26.904 -13.653 1.00 0.00 H new ATOM 0 HA VAL A 100 6.512 26.282 -15.853 1.00 0.00 H new ATOM 0 HB VAL A 100 8.391 26.421 -14.386 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.750 28.836 -14.891 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.022 27.957 -16.257 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.011 29.002 -15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.418 28.099 -12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.648 28.234 -12.721 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.391 26.696 -12.223 1.00 0.00 H new ATOM 1383 N GLY A 101 7.000 24.064 -14.512 1.00 0.00 N ATOM 1384 CA GLY A 101 6.949 22.695 -14.027 1.00 0.00 C ATOM 1385 C GLY A 101 7.651 22.463 -12.694 1.00 0.00 C ATOM 1386 O GLY A 101 8.793 22.884 -12.517 1.00 0.00 O ATOM 0 H GLY A 101 7.757 24.236 -15.174 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.905 22.398 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.397 22.042 -14.776 1.00 0.00 H new ATOM 1390 N CYS A 102 6.957 21.781 -11.771 1.00 0.00 N ATOM 1391 CA CYS A 102 7.472 21.418 -10.455 1.00 0.00 C ATOM 1392 C CYS A 102 7.943 19.962 -10.590 1.00 0.00 C ATOM 1393 O CYS A 102 7.691 19.349 -11.623 1.00 0.00 O ATOM 1394 CB CYS A 102 6.428 21.673 -9.363 1.00 0.00 C ATOM 1395 SG CYS A 102 7.080 21.664 -7.676 1.00 0.00 S ATOM 0 H CYS A 102 6.001 21.462 -11.928 1.00 0.00 H new ATOM 0 HA CYS A 102 8.313 22.033 -10.135 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.955 22.637 -9.550 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.649 20.915 -9.441 1.00 0.00 H new ATOM 1400 N SER A 103 8.613 19.381 -9.586 1.00 0.00 N ATOM 1401 CA SER A 103 9.128 18.007 -9.679 1.00 0.00 C ATOM 1402 C SER A 103 9.996 17.878 -10.936 1.00 0.00 C ATOM 1403 O SER A 103 10.583 18.849 -11.417 1.00 0.00 O ATOM 1404 CB SER A 103 7.967 16.986 -9.698 1.00 0.00 C ATOM 1405 OG SER A 103 8.431 15.690 -9.380 1.00 0.00 O ATOM 0 H SER A 103 8.812 19.842 -8.698 1.00 0.00 H new ATOM 0 HA SER A 103 9.738 17.790 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.200 17.288 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.500 16.978 -10.683 1.00 0.00 H new ATOM 0 HG SER A 103 8.568 15.620 -8.412 1.00 0.00 H new ATOM 1411 N GLY A 104 10.075 16.652 -11.450 1.00 0.00 N ATOM 1412 CA GLY A 104 10.785 16.314 -12.671 1.00 0.00 C ATOM 1413 C GLY A 104 9.946 16.697 -13.903 1.00 0.00 C ATOM 1414 O GLY A 104 10.391 16.476 -15.029 1.00 0.00 O ATOM 0 H GLY A 104 9.631 15.845 -11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.742 16.835 -12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.003 15.246 -12.689 1.00 0.00 H new ATOM 1418 N THR A 105 8.746 17.272 -13.703 1.00 0.00 N ATOM 1419 CA THR A 105 7.834 17.712 -14.750 1.00 0.00 C ATOM 1420 C THR A 105 8.311 19.065 -15.280 1.00 0.00 C ATOM 1421 O THR A 105 8.907 19.852 -14.544 1.00 0.00 O ATOM 1422 CB THR A 105 6.397 17.774 -14.186 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.884 16.463 -14.080 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.434 18.636 -15.007 1.00 0.00 C ATOM 0 H THR A 105 8.380 17.445 -12.767 1.00 0.00 H new ATOM 0 HA THR A 105 7.825 17.009 -15.583 1.00 0.00 H new ATOM 0 HB THR A 105 6.470 18.253 -13.210 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.973 16.496 -13.721 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.448 18.625 -14.542 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.805 19.660 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.362 18.238 -16.019 1.00 0.00 H new ATOM 1432 N ASN A 106 8.045 19.311 -16.570 1.00 0.00 N ATOM 1433 CA ASN A 106 8.418 20.520 -17.289 1.00 0.00 C ATOM 1434 C ASN A 106 7.161 21.148 -17.887 1.00 0.00 C ATOM 1435 O ASN A 106 6.611 20.533 -18.827 1.00 0.00 O ATOM 1436 CB ASN A 106 9.448 20.174 -18.373 1.00 0.00 C ATOM 1437 CG ASN A 106 10.720 19.580 -17.772 1.00 0.00 C ATOM 1438 OD1 ASN A 106 11.668 20.306 -17.481 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.743 18.257 -17.583 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.644 22.082 -17.239 1.00 0.00 O ATOM 0 H ASN A 106 7.545 18.643 -17.157 1.00 0.00 H new ATOM 0 HA ASN A 106 8.875 21.242 -16.613 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.012 19.465 -19.077 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.697 21.072 -18.939 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.570 17.813 -17.183 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.934 17.691 -17.839 1.00 0.00 H new