USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 984 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 87 THR OG1 : rot 71:sc= -0.0488 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.65! C(o=-1.7!,f=-6.4!) USER MOD Set 2.1: A 68 GLN : amide:sc= -2.83 K(o=-4.7,f=-8.2!) USER MOD Set 2.2: A 69 ASN : amide:sc= -1.86 K(o=-4.7,f=-7.9!) USER MOD Set 3.1: A 57 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 98 HIS : no HD1:sc= 0.126 K(o=0.13,f=-0.84) USER MOD Set 4.1: A 25 MET CE :methyl 169:sc= 0 (180deg=-0.047) USER MOD Set 4.2: A 26 THR OG1 : rot 180:sc= -0.118 USER MOD Set 4.3: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0671 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0225 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= 0.00287 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.7!) USER MOD Single : A 24 ASN : amide:sc= -0.0448 X(o=-0.045,f=-0.18) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-7.2!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 154:sc= -0.269 (180deg=-1.06) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -27:sc= 0.616 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.922 (180deg=-1.9) USER MOD Single : A 79 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.0329 (180deg=-0.349) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 61:sc= 1.23 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 86:sc= 0.167 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 111 ASN :FLIP amide:sc= 1.7 F(o=-0.078,f=1.7) USER MOD Single : A 112 THR OG1 : rot 49:sc= 0.0794 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.0018) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 70.520 18.274 65.071 1.00 0.00 N ATOM 2 CA GLY A 1 71.798 18.385 64.394 1.00 0.00 C ATOM 3 C GLY A 1 72.239 19.825 64.222 1.00 0.00 C ATOM 4 O GLY A 1 71.429 20.746 64.324 1.00 0.00 O ATOM 0 H1 GLY A 1 70.672 17.958 66.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 70.048 19.201 65.076 1.00 0.00 H new ATOM 0 H3 GLY A 1 69.922 17.584 64.573 1.00 0.00 H new ATOM 0 HA2 GLY A 1 72.554 17.842 64.961 1.00 0.00 H new ATOM 0 HA3 GLY A 1 71.730 17.910 63.416 1.00 0.00 H new ATOM 8 N SER A 2 73.528 20.021 63.962 1.00 0.00 N ATOM 9 CA SER A 2 74.077 21.360 63.782 1.00 0.00 C ATOM 10 C SER A 2 74.228 21.690 62.300 1.00 0.00 C ATOM 11 O SER A 2 74.060 22.838 61.888 1.00 0.00 O ATOM 12 CB SER A 2 75.432 21.477 64.482 1.00 0.00 C ATOM 13 OG SER A 2 76.107 20.232 64.500 1.00 0.00 O ATOM 0 H SER A 2 74.212 19.269 63.871 1.00 0.00 H new ATOM 0 HA SER A 2 73.383 22.073 64.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 76.046 22.219 63.971 1.00 0.00 H new ATOM 0 HB3 SER A 2 75.288 21.831 65.503 1.00 0.00 H new ATOM 0 HG SER A 2 76.971 20.335 64.951 1.00 0.00 H new ATOM 19 N SER A 3 74.545 20.674 61.503 1.00 0.00 N ATOM 20 CA SER A 3 74.723 20.855 60.067 1.00 0.00 C ATOM 21 C SER A 3 75.850 21.843 59.780 1.00 0.00 C ATOM 22 O SER A 3 76.532 22.306 60.692 1.00 0.00 O ATOM 23 CB SER A 3 73.423 21.347 59.429 1.00 0.00 C ATOM 24 OG SER A 3 72.315 20.582 59.873 1.00 0.00 O ATOM 0 H SER A 3 74.684 19.717 61.828 1.00 0.00 H new ATOM 0 HA SER A 3 74.989 19.891 59.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 73.267 22.397 59.677 1.00 0.00 H new ATOM 0 HB3 SER A 3 73.501 21.284 58.344 1.00 0.00 H new ATOM 0 HG SER A 3 71.496 20.918 59.452 1.00 0.00 H new ATOM 30 N GLY A 4 76.038 22.161 58.503 1.00 0.00 N ATOM 31 CA GLY A 4 77.082 23.092 58.116 1.00 0.00 C ATOM 32 C GLY A 4 77.552 22.877 56.691 1.00 0.00 C ATOM 33 O GLY A 4 78.549 22.195 56.455 1.00 0.00 O ATOM 0 H GLY A 4 75.486 21.791 57.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 76.713 24.112 58.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 77.929 22.986 58.794 1.00 0.00 H new ATOM 37 N SER A 5 76.831 23.459 55.738 1.00 0.00 N ATOM 38 CA SER A 5 77.177 23.323 54.328 1.00 0.00 C ATOM 39 C SER A 5 77.273 24.691 53.658 1.00 0.00 C ATOM 40 O SER A 5 76.630 25.650 54.084 1.00 0.00 O ATOM 41 CB SER A 5 76.138 22.462 53.607 1.00 0.00 C ATOM 42 OG SER A 5 76.291 21.093 53.940 1.00 0.00 O ATOM 0 H SER A 5 76.004 24.029 55.917 1.00 0.00 H new ATOM 0 HA SER A 5 78.150 22.836 54.263 1.00 0.00 H new ATOM 0 HB2 SER A 5 75.135 22.795 53.876 1.00 0.00 H new ATOM 0 HB3 SER A 5 76.239 22.591 52.529 1.00 0.00 H new ATOM 0 HG SER A 5 75.614 20.564 53.468 1.00 0.00 H new ATOM 48 N SER A 6 78.081 24.771 52.606 1.00 0.00 N ATOM 49 CA SER A 6 78.266 26.021 51.878 1.00 0.00 C ATOM 50 C SER A 6 78.347 25.768 50.375 1.00 0.00 C ATOM 51 O SER A 6 78.342 24.623 49.926 1.00 0.00 O ATOM 52 CB SER A 6 79.534 26.732 52.356 1.00 0.00 C ATOM 53 OG SER A 6 79.489 28.115 52.050 1.00 0.00 O ATOM 0 H SER A 6 78.618 23.985 52.239 1.00 0.00 H new ATOM 0 HA SER A 6 77.404 26.658 52.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 79.646 26.598 53.432 1.00 0.00 H new ATOM 0 HB3 SER A 6 80.407 26.280 51.885 1.00 0.00 H new ATOM 0 HG SER A 6 80.309 28.547 52.367 1.00 0.00 H new ATOM 59 N GLY A 7 78.422 26.848 49.603 1.00 0.00 N ATOM 60 CA GLY A 7 78.503 26.723 48.159 1.00 0.00 C ATOM 61 C GLY A 7 77.933 27.929 47.440 1.00 0.00 C ATOM 62 O GLY A 7 76.749 28.237 47.572 1.00 0.00 O ATOM 0 H GLY A 7 78.428 27.807 49.951 1.00 0.00 H new ATOM 0 HA2 GLY A 7 79.544 26.588 47.867 1.00 0.00 H new ATOM 0 HA3 GLY A 7 77.966 25.829 47.844 1.00 0.00 H new ATOM 66 N MET A 8 78.778 28.615 46.677 1.00 0.00 N ATOM 67 CA MET A 8 78.352 29.796 45.935 1.00 0.00 C ATOM 68 C MET A 8 78.042 29.442 44.484 1.00 0.00 C ATOM 69 O MET A 8 78.423 28.378 43.999 1.00 0.00 O ATOM 70 CB MET A 8 79.433 30.877 45.989 1.00 0.00 C ATOM 71 CG MET A 8 80.718 30.488 45.276 1.00 0.00 C ATOM 72 SD MET A 8 82.170 31.301 45.970 1.00 0.00 S ATOM 73 CE MET A 8 82.311 32.722 44.888 1.00 0.00 C ATOM 0 H MET A 8 79.762 28.373 46.556 1.00 0.00 H new ATOM 0 HA MET A 8 77.443 30.179 46.400 1.00 0.00 H new ATOM 0 HB2 MET A 8 79.043 31.792 45.543 1.00 0.00 H new ATOM 0 HB3 MET A 8 79.659 31.101 47.031 1.00 0.00 H new ATOM 0 HG2 MET A 8 80.849 29.407 45.334 1.00 0.00 H new ATOM 0 HG3 MET A 8 80.634 30.742 44.219 1.00 0.00 H new ATOM 0 HE1 MET A 8 83.167 33.326 45.190 1.00 0.00 H new ATOM 0 HE2 MET A 8 82.449 32.385 43.861 1.00 0.00 H new ATOM 0 HE3 MET A 8 81.403 33.321 44.954 1.00 0.00 H new ATOM 83 N ASN A 9 77.348 30.343 43.795 1.00 0.00 N ATOM 84 CA ASN A 9 76.986 30.125 42.399 1.00 0.00 C ATOM 85 C ASN A 9 78.134 30.514 41.473 1.00 0.00 C ATOM 86 O ASN A 9 78.620 31.645 41.510 1.00 0.00 O ATOM 87 CB ASN A 9 75.734 30.930 42.044 1.00 0.00 C ATOM 88 CG ASN A 9 74.480 30.357 42.675 1.00 0.00 C ATOM 89 OD1 ASN A 9 74.173 29.176 42.510 1.00 0.00 O ATOM 90 ND2 ASN A 9 73.748 31.193 43.401 1.00 0.00 N ATOM 0 H ASN A 9 77.025 31.230 44.181 1.00 0.00 H new ATOM 0 HA ASN A 9 76.778 29.064 42.264 1.00 0.00 H new ATOM 0 HB2 ASN A 9 75.864 31.961 42.372 1.00 0.00 H new ATOM 0 HB3 ASN A 9 75.615 30.952 40.961 1.00 0.00 H new ATOM 0 HD21 ASN A 9 72.893 30.865 43.849 1.00 0.00 H new ATOM 0 HD22 ASN A 9 74.041 32.164 43.511 1.00 0.00 H new ATOM 97 N TYR A 10 78.562 29.570 40.642 1.00 0.00 N ATOM 98 CA TYR A 10 79.655 29.812 39.707 1.00 0.00 C ATOM 99 C TYR A 10 79.119 30.146 38.318 1.00 0.00 C ATOM 100 O TYR A 10 78.974 29.267 37.469 1.00 0.00 O ATOM 101 CB TYR A 10 80.571 28.590 39.633 1.00 0.00 C ATOM 102 CG TYR A 10 81.524 28.475 40.801 1.00 0.00 C ATOM 103 CD1 TYR A 10 82.408 29.503 41.105 1.00 0.00 C ATOM 104 CD2 TYR A 10 81.541 27.339 41.600 1.00 0.00 C ATOM 105 CE1 TYR A 10 83.282 29.403 42.170 1.00 0.00 C ATOM 106 CE2 TYR A 10 82.410 27.231 42.669 1.00 0.00 C ATOM 107 CZ TYR A 10 83.278 28.265 42.950 1.00 0.00 C ATOM 108 OH TYR A 10 84.146 28.160 44.013 1.00 0.00 O ATOM 0 H TYR A 10 78.169 28.630 40.597 1.00 0.00 H new ATOM 0 HA TYR A 10 80.228 30.665 40.070 1.00 0.00 H new ATOM 0 HB2 TYR A 10 79.958 27.690 39.585 1.00 0.00 H new ATOM 0 HB3 TYR A 10 81.147 28.634 38.708 1.00 0.00 H new ATOM 0 HD1 TYR A 10 82.412 30.396 40.498 1.00 0.00 H new ATOM 0 HD2 TYR A 10 80.864 26.526 41.382 1.00 0.00 H new ATOM 0 HE1 TYR A 10 83.964 30.211 42.391 1.00 0.00 H new ATOM 0 HE2 TYR A 10 82.409 26.341 43.281 1.00 0.00 H new ATOM 0 HH TYR A 10 84.014 27.297 44.459 1.00 0.00 H new ATOM 118 N ASN A 11 78.826 31.423 38.095 1.00 0.00 N ATOM 119 CA ASN A 11 78.307 31.874 36.809 1.00 0.00 C ATOM 120 C ASN A 11 76.983 31.187 36.486 1.00 0.00 C ATOM 121 O ASN A 11 76.544 30.292 37.208 1.00 0.00 O ATOM 122 CB ASN A 11 79.322 31.597 35.699 1.00 0.00 C ATOM 123 CG ASN A 11 79.391 32.722 34.684 1.00 0.00 C ATOM 124 OD1 ASN A 11 79.006 32.553 33.527 1.00 0.00 O ATOM 125 ND2 ASN A 11 79.882 33.878 35.115 1.00 0.00 N ATOM 0 H ASN A 11 78.939 32.163 38.788 1.00 0.00 H new ATOM 0 HA ASN A 11 78.133 32.948 36.872 1.00 0.00 H new ATOM 0 HB2 ASN A 11 80.308 31.449 36.140 1.00 0.00 H new ATOM 0 HB3 ASN A 11 79.057 30.669 35.192 1.00 0.00 H new ATOM 0 HD21 ASN A 11 79.952 34.672 34.478 1.00 0.00 H new ATOM 0 HD22 ASN A 11 80.189 33.972 36.083 1.00 0.00 H new ATOM 132 N SER A 12 76.353 31.612 35.396 1.00 0.00 N ATOM 133 CA SER A 12 75.078 31.041 34.978 1.00 0.00 C ATOM 134 C SER A 12 75.206 30.365 33.616 1.00 0.00 C ATOM 135 O SER A 12 76.276 30.367 33.008 1.00 0.00 O ATOM 136 CB SER A 12 74.002 32.127 34.923 1.00 0.00 C ATOM 137 OG SER A 12 74.141 33.038 35.999 1.00 0.00 O ATOM 0 H SER A 12 76.705 32.350 34.786 1.00 0.00 H new ATOM 0 HA SER A 12 74.787 30.289 35.711 1.00 0.00 H new ATOM 0 HB2 SER A 12 74.071 32.664 33.977 1.00 0.00 H new ATOM 0 HB3 SER A 12 73.014 31.667 34.957 1.00 0.00 H new ATOM 0 HG SER A 12 73.443 33.723 35.940 1.00 0.00 H new ATOM 143 N TYR A 13 74.106 29.788 33.144 1.00 0.00 N ATOM 144 CA TYR A 13 74.095 29.107 31.855 1.00 0.00 C ATOM 145 C TYR A 13 73.489 29.996 30.774 1.00 0.00 C ATOM 146 O TYR A 13 72.290 29.934 30.504 1.00 0.00 O ATOM 147 CB TYR A 13 73.309 27.798 31.954 1.00 0.00 C ATOM 148 CG TYR A 13 74.173 26.594 32.256 1.00 0.00 C ATOM 149 CD1 TYR A 13 74.820 26.468 33.479 1.00 0.00 C ATOM 150 CD2 TYR A 13 74.341 25.582 31.319 1.00 0.00 C ATOM 151 CE1 TYR A 13 75.611 25.371 33.759 1.00 0.00 C ATOM 152 CE2 TYR A 13 75.129 24.481 31.591 1.00 0.00 C ATOM 153 CZ TYR A 13 75.762 24.380 32.812 1.00 0.00 C ATOM 154 OH TYR A 13 76.548 23.284 33.087 1.00 0.00 O ATOM 0 H TYR A 13 73.212 29.778 33.634 1.00 0.00 H new ATOM 0 HA TYR A 13 75.126 28.885 31.581 1.00 0.00 H new ATOM 0 HB2 TYR A 13 72.552 27.896 32.733 1.00 0.00 H new ATOM 0 HB3 TYR A 13 72.781 27.629 31.016 1.00 0.00 H new ATOM 0 HD1 TYR A 13 74.702 27.241 34.224 1.00 0.00 H new ATOM 0 HD2 TYR A 13 73.847 25.658 30.362 1.00 0.00 H new ATOM 0 HE1 TYR A 13 76.108 25.290 34.714 1.00 0.00 H new ATOM 0 HE2 TYR A 13 75.249 23.703 30.851 1.00 0.00 H new ATOM 0 HH TYR A 13 76.548 22.680 32.316 1.00 0.00 H new ATOM 164 N MET A 14 74.327 30.823 30.158 1.00 0.00 N ATOM 165 CA MET A 14 73.876 31.724 29.105 1.00 0.00 C ATOM 166 C MET A 14 73.339 30.940 27.911 1.00 0.00 C ATOM 167 O MET A 14 73.856 29.875 27.574 1.00 0.00 O ATOM 168 CB MET A 14 75.021 32.635 28.658 1.00 0.00 C ATOM 169 CG MET A 14 76.296 31.884 28.313 1.00 0.00 C ATOM 170 SD MET A 14 77.408 32.845 27.268 1.00 0.00 S ATOM 171 CE MET A 14 78.998 32.382 27.950 1.00 0.00 C ATOM 0 H MET A 14 75.323 30.888 30.370 1.00 0.00 H new ATOM 0 HA MET A 14 73.069 32.337 29.507 1.00 0.00 H new ATOM 0 HB2 MET A 14 74.700 33.208 27.788 1.00 0.00 H new ATOM 0 HB3 MET A 14 75.235 33.352 29.451 1.00 0.00 H new ATOM 0 HG2 MET A 14 76.813 31.612 29.233 1.00 0.00 H new ATOM 0 HG3 MET A 14 76.039 30.954 27.805 1.00 0.00 H new ATOM 0 HE1 MET A 14 79.791 32.897 27.407 1.00 0.00 H new ATOM 0 HE2 MET A 14 79.038 32.662 29.003 1.00 0.00 H new ATOM 0 HE3 MET A 14 79.134 31.305 27.856 1.00 0.00 H new ATOM 181 N ASP A 15 72.301 31.474 27.277 1.00 0.00 N ATOM 182 CA ASP A 15 71.695 30.824 26.121 1.00 0.00 C ATOM 183 C ASP A 15 70.962 31.839 25.249 1.00 0.00 C ATOM 184 O ASP A 15 70.125 32.599 25.736 1.00 0.00 O ATOM 185 CB ASP A 15 70.727 29.729 26.573 1.00 0.00 C ATOM 186 CG ASP A 15 71.314 28.339 26.421 1.00 0.00 C ATOM 187 OD1 ASP A 15 71.740 27.994 25.299 1.00 0.00 O ATOM 188 OD2 ASP A 15 71.348 27.597 27.425 1.00 0.00 O ATOM 0 H ASP A 15 71.862 32.355 27.544 1.00 0.00 H new ATOM 0 HA ASP A 15 72.492 30.372 25.531 1.00 0.00 H new ATOM 0 HB2 ASP A 15 70.457 29.894 27.616 1.00 0.00 H new ATOM 0 HB3 ASP A 15 69.808 29.798 25.991 1.00 0.00 H new ATOM 193 N GLU A 16 71.285 31.847 23.960 1.00 0.00 N ATOM 194 CA GLU A 16 70.658 32.770 23.021 1.00 0.00 C ATOM 195 C GLU A 16 69.852 32.014 21.969 1.00 0.00 C ATOM 196 O GLU A 16 70.403 31.517 20.987 1.00 0.00 O ATOM 197 CB GLU A 16 71.718 33.638 22.341 1.00 0.00 C ATOM 198 CG GLU A 16 71.877 35.012 22.971 1.00 0.00 C ATOM 199 CD GLU A 16 72.914 35.862 22.263 1.00 0.00 C ATOM 200 OE1 GLU A 16 73.900 35.291 21.752 1.00 0.00 O ATOM 201 OE2 GLU A 16 72.740 37.098 22.221 1.00 0.00 O ATOM 0 H GLU A 16 71.977 31.225 23.542 1.00 0.00 H new ATOM 0 HA GLU A 16 69.978 33.411 23.582 1.00 0.00 H new ATOM 0 HB2 GLU A 16 72.676 33.119 22.375 1.00 0.00 H new ATOM 0 HB3 GLU A 16 71.457 33.758 21.289 1.00 0.00 H new ATOM 0 HG2 GLU A 16 70.917 35.528 22.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 72.160 34.897 24.017 1.00 0.00 H new ATOM 208 N LYS A 17 68.543 31.930 22.182 1.00 0.00 N ATOM 209 CA LYS A 17 67.659 31.236 21.254 1.00 0.00 C ATOM 210 C LYS A 17 66.974 32.223 20.314 1.00 0.00 C ATOM 211 O LYS A 17 67.151 33.434 20.435 1.00 0.00 O ATOM 212 CB LYS A 17 66.607 30.433 22.023 1.00 0.00 C ATOM 213 CG LYS A 17 67.176 29.230 22.755 1.00 0.00 C ATOM 214 CD LYS A 17 66.359 28.891 23.990 1.00 0.00 C ATOM 215 CE LYS A 17 66.188 27.388 24.151 1.00 0.00 C ATOM 216 NZ LYS A 17 67.205 26.811 25.074 1.00 0.00 N ATOM 0 H LYS A 17 68.071 32.335 22.990 1.00 0.00 H new ATOM 0 HA LYS A 17 68.264 30.553 20.657 1.00 0.00 H new ATOM 0 HB2 LYS A 17 66.117 31.088 22.744 1.00 0.00 H new ATOM 0 HB3 LYS A 17 65.840 30.095 21.327 1.00 0.00 H new ATOM 0 HG2 LYS A 17 67.196 28.371 22.084 1.00 0.00 H new ATOM 0 HG3 LYS A 17 68.207 29.433 23.044 1.00 0.00 H new ATOM 0 HD2 LYS A 17 66.848 29.299 24.874 1.00 0.00 H new ATOM 0 HD3 LYS A 17 65.380 29.364 23.921 1.00 0.00 H new ATOM 0 HE2 LYS A 17 65.189 27.175 24.532 1.00 0.00 H new ATOM 0 HE3 LYS A 17 66.267 26.907 23.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 67.055 25.785 25.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 68.158 26.992 24.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 67.113 27.252 26.011 1.00 0.00 H new ATOM 230 N ASN A 18 66.190 31.695 19.379 1.00 0.00 N ATOM 231 CA ASN A 18 65.477 32.531 18.419 1.00 0.00 C ATOM 232 C ASN A 18 64.463 33.425 19.125 1.00 0.00 C ATOM 233 O ASN A 18 63.969 33.094 20.202 1.00 0.00 O ATOM 234 CB ASN A 18 64.769 31.659 17.380 1.00 0.00 C ATOM 235 CG ASN A 18 65.739 31.017 16.407 1.00 0.00 C ATOM 236 OD1 ASN A 18 66.913 30.819 16.722 1.00 0.00 O ATOM 237 ND2 ASN A 18 65.252 30.688 15.216 1.00 0.00 N ATOM 0 H ASN A 18 66.032 30.694 19.266 1.00 0.00 H new ATOM 0 HA ASN A 18 66.206 33.166 17.915 1.00 0.00 H new ATOM 0 HB2 ASN A 18 64.201 30.881 17.889 1.00 0.00 H new ATOM 0 HB3 ASN A 18 64.053 32.267 16.827 1.00 0.00 H new ATOM 0 HD21 ASN A 18 65.857 30.253 14.520 1.00 0.00 H new ATOM 0 HD22 ASN A 18 64.273 30.870 14.997 1.00 0.00 H new ATOM 244 N GLY A 19 64.155 34.563 18.508 1.00 0.00 N ATOM 245 CA GLY A 19 63.201 35.488 19.091 1.00 0.00 C ATOM 246 C GLY A 19 61.765 35.089 18.817 1.00 0.00 C ATOM 247 O GLY A 19 61.492 34.119 18.109 1.00 0.00 O ATOM 0 H GLY A 19 64.549 34.860 17.615 1.00 0.00 H new ATOM 0 HA2 GLY A 19 63.361 35.540 20.168 1.00 0.00 H new ATOM 0 HA3 GLY A 19 63.379 36.487 18.694 1.00 0.00 H new ATOM 251 N PRO A 20 60.816 35.847 19.387 1.00 0.00 N ATOM 252 CA PRO A 20 59.384 35.585 19.215 1.00 0.00 C ATOM 253 C PRO A 20 58.907 35.881 17.797 1.00 0.00 C ATOM 254 O PRO A 20 59.610 36.496 16.995 1.00 0.00 O ATOM 255 CB PRO A 20 58.727 36.543 20.212 1.00 0.00 C ATOM 256 CG PRO A 20 59.711 37.649 20.380 1.00 0.00 C ATOM 257 CD PRO A 20 61.069 37.018 20.242 1.00 0.00 C ATOM 0 HA PRO A 20 59.137 34.537 19.384 1.00 0.00 H new ATOM 0 HB2 PRO A 20 57.774 36.915 19.835 1.00 0.00 H new ATOM 0 HB3 PRO A 20 58.523 36.048 21.161 1.00 0.00 H new ATOM 0 HG2 PRO A 20 59.561 38.422 19.627 1.00 0.00 H new ATOM 0 HG3 PRO A 20 59.599 38.126 21.354 1.00 0.00 H new ATOM 0 HD2 PRO A 20 61.785 37.701 19.786 1.00 0.00 H new ATOM 0 HD3 PRO A 20 61.478 36.728 21.210 1.00 0.00 H new ATOM 265 N PRO A 21 57.683 35.435 17.479 1.00 0.00 N ATOM 266 CA PRO A 21 57.084 35.642 16.157 1.00 0.00 C ATOM 267 C PRO A 21 56.724 37.102 15.906 1.00 0.00 C ATOM 268 O PRO A 21 56.737 37.935 16.813 1.00 0.00 O ATOM 269 CB PRO A 21 55.820 34.779 16.202 1.00 0.00 C ATOM 270 CG PRO A 21 55.478 34.683 17.648 1.00 0.00 C ATOM 271 CD PRO A 21 56.789 34.695 18.385 1.00 0.00 C ATOM 0 HA PRO A 21 57.770 35.377 15.352 1.00 0.00 H new ATOM 0 HB2 PRO A 21 55.009 35.234 15.633 1.00 0.00 H new ATOM 0 HB3 PRO A 21 55.998 33.794 15.771 1.00 0.00 H new ATOM 0 HG2 PRO A 21 54.849 35.518 17.957 1.00 0.00 H new ATOM 0 HG3 PRO A 21 54.921 33.770 17.858 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.701 35.187 19.353 1.00 0.00 H new ATOM 0 HD3 PRO A 21 57.154 33.685 18.573 1.00 0.00 H new ATOM 279 N PRO A 22 56.393 37.423 14.646 1.00 0.00 N ATOM 280 CA PRO A 22 56.374 36.440 13.558 1.00 0.00 C ATOM 281 C PRO A 22 57.774 35.972 13.176 1.00 0.00 C ATOM 282 O PRO A 22 58.781 36.552 13.581 1.00 0.00 O ATOM 283 CB PRO A 22 55.732 37.206 12.399 1.00 0.00 C ATOM 284 CG PRO A 22 56.017 38.640 12.688 1.00 0.00 C ATOM 285 CD PRO A 22 56.013 38.769 14.186 1.00 0.00 C ATOM 0 HA PRO A 22 55.837 35.533 13.837 1.00 0.00 H new ATOM 0 HB2 PRO A 22 56.156 36.903 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 22 54.660 37.018 12.346 1.00 0.00 H new ATOM 0 HG2 PRO A 22 56.980 38.938 12.273 1.00 0.00 H new ATOM 0 HG3 PRO A 22 55.263 39.286 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 22 56.721 39.525 14.526 1.00 0.00 H new ATOM 0 HD3 PRO A 22 55.032 39.060 14.562 1.00 0.00 H new ATOM 293 N PRO A 23 57.841 34.897 12.376 1.00 0.00 N ATOM 294 CA PRO A 23 59.113 34.328 11.920 1.00 0.00 C ATOM 295 C PRO A 23 59.831 35.234 10.926 1.00 0.00 C ATOM 296 O PRO A 23 61.056 35.344 10.945 1.00 0.00 O ATOM 297 CB PRO A 23 58.694 33.019 11.245 1.00 0.00 C ATOM 298 CG PRO A 23 57.285 33.247 10.819 1.00 0.00 C ATOM 299 CD PRO A 23 56.681 34.155 11.854 1.00 0.00 C ATOM 0 HA PRO A 23 59.817 34.194 12.741 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.333 32.791 10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.768 32.177 11.933 1.00 0.00 H new ATOM 0 HG2 PRO A 23 57.245 33.702 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 23 56.738 32.306 10.759 1.00 0.00 H new ATOM 0 HD2 PRO A 23 55.939 34.824 11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 23 56.178 33.591 12.640 1.00 0.00 H new ATOM 307 N ASN A 24 59.060 35.882 10.059 1.00 0.00 N ATOM 308 CA ASN A 24 59.623 36.779 9.057 1.00 0.00 C ATOM 309 C ASN A 24 60.678 36.064 8.219 1.00 0.00 C ATOM 310 O ASN A 24 61.741 36.618 7.937 1.00 0.00 O ATOM 311 CB ASN A 24 60.237 38.008 9.730 1.00 0.00 C ATOM 312 CG ASN A 24 60.396 39.173 8.773 1.00 0.00 C ATOM 313 OD1 ASN A 24 61.484 39.420 8.252 1.00 0.00 O ATOM 314 ND2 ASN A 24 59.308 39.897 8.536 1.00 0.00 N ATOM 0 H ASN A 24 58.044 35.803 10.030 1.00 0.00 H new ATOM 0 HA ASN A 24 58.816 37.099 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 24 59.609 38.312 10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 24 61.211 37.744 10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 24 59.354 40.693 7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 24 58.427 39.657 8.990 1.00 0.00 H new ATOM 321 N MET A 25 60.377 34.832 7.823 1.00 0.00 N ATOM 322 CA MET A 25 61.299 34.042 7.015 1.00 0.00 C ATOM 323 C MET A 25 62.608 33.805 7.760 1.00 0.00 C ATOM 324 O MET A 25 62.771 34.233 8.903 1.00 0.00 O ATOM 325 CB MET A 25 61.576 34.745 5.684 1.00 0.00 C ATOM 326 CG MET A 25 60.901 34.082 4.495 1.00 0.00 C ATOM 327 SD MET A 25 61.793 34.351 2.951 1.00 0.00 S ATOM 328 CE MET A 25 63.147 33.194 3.137 1.00 0.00 C ATOM 0 H MET A 25 59.502 34.359 8.048 1.00 0.00 H new ATOM 0 HA MET A 25 60.834 33.076 6.817 1.00 0.00 H new ATOM 0 HB2 MET A 25 61.240 35.780 5.752 1.00 0.00 H new ATOM 0 HB3 MET A 25 62.652 34.770 5.513 1.00 0.00 H new ATOM 0 HG2 MET A 25 60.818 33.011 4.680 1.00 0.00 H new ATOM 0 HG3 MET A 25 59.887 34.468 4.396 1.00 0.00 H new ATOM 0 HE1 MET A 25 63.676 33.098 2.189 1.00 0.00 H new ATOM 0 HE2 MET A 25 63.834 33.558 3.901 1.00 0.00 H new ATOM 0 HE3 MET A 25 62.756 32.221 3.434 1.00 0.00 H new ATOM 338 N THR A 26 63.541 33.120 7.106 1.00 0.00 N ATOM 339 CA THR A 26 64.835 32.825 7.707 1.00 0.00 C ATOM 340 C THR A 26 65.667 34.092 7.870 1.00 0.00 C ATOM 341 O THR A 26 66.097 34.427 8.975 1.00 0.00 O ATOM 342 CB THR A 26 65.628 31.809 6.863 1.00 0.00 C ATOM 343 OG1 THR A 26 65.727 32.268 5.510 1.00 0.00 O ATOM 344 CG2 THR A 26 64.961 30.443 6.893 1.00 0.00 C ATOM 0 H THR A 26 63.424 32.759 6.159 1.00 0.00 H new ATOM 0 HA THR A 26 64.637 32.395 8.689 1.00 0.00 H new ATOM 0 HB THR A 26 66.627 31.717 7.289 1.00 0.00 H new ATOM 0 HG1 THR A 26 66.234 31.618 4.980 1.00 0.00 H new ATOM 0 HG21 THR A 26 65.539 29.743 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 64.914 30.084 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 26 63.952 30.522 6.489 1.00 0.00 H new ATOM 352 N THR A 27 65.892 34.794 6.764 1.00 0.00 N ATOM 353 CA THR A 27 66.673 36.024 6.785 1.00 0.00 C ATOM 354 C THR A 27 65.928 37.161 6.094 1.00 0.00 C ATOM 355 O THR A 27 64.920 36.938 5.424 1.00 0.00 O ATOM 356 CB THR A 27 68.041 35.833 6.103 1.00 0.00 C ATOM 357 OG1 THR A 27 67.859 35.328 4.775 1.00 0.00 O ATOM 358 CG2 THR A 27 68.914 34.876 6.900 1.00 0.00 C ATOM 0 H THR A 27 65.544 34.531 5.842 1.00 0.00 H new ATOM 0 HA THR A 27 66.830 36.280 7.833 1.00 0.00 H new ATOM 0 HB THR A 27 68.539 36.802 6.058 1.00 0.00 H new ATOM 0 HG1 THR A 27 68.733 35.211 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 27 69.875 34.757 6.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 69.074 35.277 7.901 1.00 0.00 H new ATOM 0 HG23 THR A 27 68.420 33.907 6.972 1.00 0.00 H new ATOM 366 N ASN A 28 66.430 38.380 6.261 1.00 0.00 N ATOM 367 CA ASN A 28 65.812 39.552 5.653 1.00 0.00 C ATOM 368 C ASN A 28 66.421 39.840 4.284 1.00 0.00 C ATOM 369 O ASN A 28 65.704 40.004 3.298 1.00 0.00 O ATOM 370 CB ASN A 28 65.975 40.771 6.563 1.00 0.00 C ATOM 371 CG ASN A 28 65.603 40.472 8.002 1.00 0.00 C ATOM 372 OD1 ASN A 28 64.427 40.494 8.369 1.00 0.00 O ATOM 373 ND2 ASN A 28 66.605 40.191 8.827 1.00 0.00 N ATOM 0 H ASN A 28 67.264 38.582 6.813 1.00 0.00 H new ATOM 0 HA ASN A 28 64.750 39.345 5.522 1.00 0.00 H new ATOM 0 HB2 ASN A 28 67.008 41.116 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 28 65.352 41.585 6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 28 66.415 39.982 9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 28 67.564 40.184 8.480 1.00 0.00 H new ATOM 380 N GLU A 29 67.748 39.899 4.234 1.00 0.00 N ATOM 381 CA GLU A 29 68.453 40.168 2.986 1.00 0.00 C ATOM 382 C GLU A 29 68.469 38.930 2.093 1.00 0.00 C ATOM 383 O GLU A 29 68.084 37.840 2.518 1.00 0.00 O ATOM 384 CB GLU A 29 69.885 40.623 3.271 1.00 0.00 C ATOM 385 CG GLU A 29 70.069 42.130 3.208 1.00 0.00 C ATOM 386 CD GLU A 29 70.761 42.581 1.937 1.00 0.00 C ATOM 387 OE1 GLU A 29 71.994 42.410 1.840 1.00 0.00 O ATOM 388 OE2 GLU A 29 70.070 43.106 1.039 1.00 0.00 O ATOM 0 H GLU A 29 68.356 39.764 5.042 1.00 0.00 H new ATOM 0 HA GLU A 29 67.924 40.965 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 29 70.179 40.271 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 29 70.556 40.153 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 29 69.095 42.614 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 29 70.651 42.457 4.070 1.00 0.00 H new ATOM 395 N ARG A 30 68.917 39.107 0.854 1.00 0.00 N ATOM 396 CA ARG A 30 68.982 38.006 -0.099 1.00 0.00 C ATOM 397 C ARG A 30 67.588 37.460 -0.395 1.00 0.00 C ATOM 398 O ARG A 30 67.429 36.287 -0.733 1.00 0.00 O ATOM 399 CB ARG A 30 69.875 36.888 0.441 1.00 0.00 C ATOM 400 CG ARG A 30 70.979 36.473 -0.518 1.00 0.00 C ATOM 401 CD ARG A 30 72.303 37.131 -0.163 1.00 0.00 C ATOM 402 NE ARG A 30 73.248 36.180 0.416 1.00 0.00 N ATOM 403 CZ ARG A 30 74.372 36.540 1.026 1.00 0.00 C ATOM 404 NH1 ARG A 30 74.688 37.823 1.137 1.00 0.00 N ATOM 405 NH2 ARG A 30 75.181 35.616 1.528 1.00 0.00 N ATOM 0 H ARG A 30 69.240 40.002 0.487 1.00 0.00 H new ATOM 0 HA ARG A 30 69.409 38.387 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 30 70.324 37.214 1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 30 69.257 36.019 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 30 71.093 35.389 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 30 70.699 36.743 -1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 30 72.738 37.576 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 30 72.127 37.943 0.543 1.00 0.00 H new ATOM 0 HE ARG A 30 73.033 35.185 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 30 74.068 38.536 0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 30 75.552 38.097 1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 30 74.940 34.628 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 30 76.044 35.893 1.996 1.00 0.00 H new ATOM 419 N ARG A 31 66.582 38.319 -0.265 1.00 0.00 N ATOM 420 CA ARG A 31 65.202 37.922 -0.517 1.00 0.00 C ATOM 421 C ARG A 31 64.978 37.645 -2.001 1.00 0.00 C ATOM 422 O ARG A 31 64.788 36.498 -2.407 1.00 0.00 O ATOM 423 CB ARG A 31 64.241 39.012 -0.041 1.00 0.00 C ATOM 424 CG ARG A 31 62.775 38.646 -0.206 1.00 0.00 C ATOM 425 CD ARG A 31 61.864 39.723 0.363 1.00 0.00 C ATOM 426 NE ARG A 31 60.520 39.218 0.631 1.00 0.00 N ATOM 427 CZ ARG A 31 59.618 38.989 -0.317 1.00 0.00 C ATOM 428 NH1 ARG A 31 59.916 39.218 -1.589 1.00 0.00 N ATOM 429 NH2 ARG A 31 58.416 38.529 0.006 1.00 0.00 N ATOM 0 H ARG A 31 66.697 39.294 0.013 1.00 0.00 H new ATOM 0 HA ARG A 31 65.007 37.006 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 31 64.438 39.224 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 31 64.442 39.929 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 31 62.552 38.501 -1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 31 62.577 37.698 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 31 62.295 40.113 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 31 61.805 40.556 -0.338 1.00 0.00 H new ATOM 0 HE ARG A 31 60.260 39.031 1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 31 60.839 39.571 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 31 59.222 39.041 -2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 31 58.184 38.351 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 31 57.724 38.354 -0.723 1.00 0.00 H new ATOM 443 N VAL A 32 65.002 38.703 -2.806 1.00 0.00 N ATOM 444 CA VAL A 32 64.803 38.574 -4.244 1.00 0.00 C ATOM 445 C VAL A 32 66.120 38.723 -4.997 1.00 0.00 C ATOM 446 O VAL A 32 66.944 39.575 -4.664 1.00 0.00 O ATOM 447 CB VAL A 32 63.803 39.621 -4.768 1.00 0.00 C ATOM 448 CG1 VAL A 32 64.376 41.023 -4.630 1.00 0.00 C ATOM 449 CG2 VAL A 32 63.433 39.328 -6.214 1.00 0.00 C ATOM 0 H VAL A 32 65.157 39.659 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 32 64.399 37.577 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 32 62.896 39.564 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 63.655 41.749 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 32 64.585 41.229 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 32 65.299 41.097 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 32 62.726 40.078 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 32 64.330 39.356 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 32 62.978 38.340 -6.280 1.00 0.00 H new ATOM 459 N ILE A 33 66.311 37.889 -6.014 1.00 0.00 N ATOM 460 CA ILE A 33 67.528 37.930 -6.816 1.00 0.00 C ATOM 461 C ILE A 33 67.383 38.897 -7.986 1.00 0.00 C ATOM 462 O ILE A 33 68.357 39.510 -8.423 1.00 0.00 O ATOM 463 CB ILE A 33 67.890 36.535 -7.359 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.271 36.564 -8.019 1.00 0.00 C ATOM 465 CG2 ILE A 33 66.835 36.061 -8.347 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.090 35.319 -7.762 1.00 0.00 C ATOM 0 H ILE A 33 65.639 37.177 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 33 68.327 38.275 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 33 67.920 35.833 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.148 36.693 -9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 33 69.821 37.432 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.105 35.074 -8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 33 65.867 36.008 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.776 36.762 -9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.056 35.410 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.244 35.200 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.561 34.449 -8.151 1.00 0.00 H new ATOM 478 N VAL A 34 66.159 39.031 -8.488 1.00 0.00 N ATOM 479 CA VAL A 34 65.885 39.927 -9.606 1.00 0.00 C ATOM 480 C VAL A 34 64.435 40.397 -9.591 1.00 0.00 C ATOM 481 O VAL A 34 63.509 39.625 -9.342 1.00 0.00 O ATOM 482 CB VAL A 34 66.179 39.245 -10.955 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.230 39.756 -12.029 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.627 39.470 -11.362 1.00 0.00 C ATOM 0 H VAL A 34 65.342 38.531 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 34 66.543 40.788 -9.491 1.00 0.00 H new ATOM 0 HB VAL A 34 66.020 38.173 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.452 39.263 -12.975 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.202 39.539 -11.739 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.355 40.833 -12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.817 38.981 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.816 40.539 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.288 39.051 -10.603 1.00 0.00 H new ATOM 494 N PRO A 35 64.231 41.694 -9.863 1.00 0.00 N ATOM 495 CA PRO A 35 62.895 42.297 -9.889 1.00 0.00 C ATOM 496 C PRO A 35 62.064 41.816 -11.073 1.00 0.00 C ATOM 497 O PRO A 35 60.909 41.423 -10.915 1.00 0.00 O ATOM 498 CB PRO A 35 63.184 43.795 -10.011 1.00 0.00 C ATOM 499 CG PRO A 35 64.523 43.870 -10.659 1.00 0.00 C ATOM 500 CD PRO A 35 65.288 42.672 -10.169 1.00 0.00 C ATOM 0 HA PRO A 35 62.311 42.032 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.425 44.297 -10.611 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.189 44.278 -9.034 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.432 43.857 -11.745 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.034 44.795 -10.393 1.00 0.00 H new ATOM 0 HD2 PRO A 35 65.975 42.297 -10.927 1.00 0.00 H new ATOM 0 HD3 PRO A 35 65.884 42.909 -9.287 1.00 0.00 H new ATOM 508 N ALA A 36 62.660 41.849 -12.261 1.00 0.00 N ATOM 509 CA ALA A 36 61.976 41.414 -13.472 1.00 0.00 C ATOM 510 C ALA A 36 62.893 41.513 -14.686 1.00 0.00 C ATOM 511 O ALA A 36 63.346 40.499 -15.217 1.00 0.00 O ATOM 512 CB ALA A 36 60.716 42.238 -13.691 1.00 0.00 C ATOM 0 H ALA A 36 63.616 42.173 -12.410 1.00 0.00 H new ATOM 0 HA ALA A 36 61.696 40.368 -13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 36 60.215 41.902 -14.599 1.00 0.00 H new ATOM 0 HB2 ALA A 36 60.047 42.113 -12.840 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.982 43.290 -13.791 1.00 0.00 H new ATOM 518 N ASP A 37 63.161 42.739 -15.121 1.00 0.00 N ATOM 519 CA ASP A 37 64.024 42.970 -16.273 1.00 0.00 C ATOM 520 C ASP A 37 65.220 43.837 -15.891 1.00 0.00 C ATOM 521 O ASP A 37 65.213 44.536 -14.878 1.00 0.00 O ATOM 522 CB ASP A 37 63.236 43.635 -17.402 1.00 0.00 C ATOM 523 CG ASP A 37 62.847 42.656 -18.492 1.00 0.00 C ATOM 524 OD1 ASP A 37 62.294 41.586 -18.159 1.00 0.00 O ATOM 525 OD2 ASP A 37 63.094 42.959 -19.678 1.00 0.00 O ATOM 0 H ASP A 37 62.793 43.588 -14.693 1.00 0.00 H new ATOM 0 HA ASP A 37 64.394 42.005 -16.618 1.00 0.00 H new ATOM 0 HB2 ASP A 37 62.336 44.094 -16.992 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.834 44.437 -17.835 1.00 0.00 H new ATOM 530 N PRO A 38 66.274 43.791 -16.720 1.00 0.00 N ATOM 531 CA PRO A 38 67.497 44.566 -16.490 1.00 0.00 C ATOM 532 C PRO A 38 67.281 46.062 -16.688 1.00 0.00 C ATOM 533 O PRO A 38 68.092 46.880 -16.252 1.00 0.00 O ATOM 534 CB PRO A 38 68.465 44.020 -17.542 1.00 0.00 C ATOM 535 CG PRO A 38 67.590 43.495 -18.627 1.00 0.00 C ATOM 536 CD PRO A 38 66.352 42.980 -17.947 1.00 0.00 C ATOM 0 HA PRO A 38 67.858 44.465 -15.466 1.00 0.00 H new ATOM 0 HB2 PRO A 38 69.129 44.801 -17.912 1.00 0.00 H new ATOM 0 HB3 PRO A 38 69.097 43.234 -17.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.344 44.279 -19.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 68.090 42.701 -19.182 1.00 0.00 H new ATOM 0 HD2 PRO A 38 65.468 43.109 -18.571 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.430 41.916 -17.721 1.00 0.00 H new ATOM 544 N THR A 39 66.183 46.415 -17.349 1.00 0.00 N ATOM 545 CA THR A 39 65.861 47.813 -17.606 1.00 0.00 C ATOM 546 C THR A 39 65.341 48.498 -16.348 1.00 0.00 C ATOM 547 O THR A 39 65.579 49.687 -16.132 1.00 0.00 O ATOM 548 CB THR A 39 64.810 47.951 -18.724 1.00 0.00 C ATOM 549 OG1 THR A 39 63.905 46.842 -18.685 1.00 0.00 O ATOM 550 CG2 THR A 39 65.478 48.020 -20.089 1.00 0.00 C ATOM 0 H THR A 39 65.501 45.751 -17.716 1.00 0.00 H new ATOM 0 HA THR A 39 66.785 48.297 -17.924 1.00 0.00 H new ATOM 0 HB THR A 39 64.257 48.876 -18.561 1.00 0.00 H new ATOM 0 HG1 THR A 39 63.239 46.938 -19.398 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.716 48.117 -20.862 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.144 48.882 -20.125 1.00 0.00 H new ATOM 0 HG23 THR A 39 66.053 47.110 -20.259 1.00 0.00 H new ATOM 558 N LEU A 40 64.631 47.741 -15.518 1.00 0.00 N ATOM 559 CA LEU A 40 64.078 48.275 -14.279 1.00 0.00 C ATOM 560 C LEU A 40 64.865 47.777 -13.071 1.00 0.00 C ATOM 561 O LEU A 40 64.303 47.175 -12.156 1.00 0.00 O ATOM 562 CB LEU A 40 62.607 47.879 -14.142 1.00 0.00 C ATOM 563 CG LEU A 40 61.755 48.013 -15.404 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.348 47.493 -15.156 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.716 49.461 -15.870 1.00 0.00 C ATOM 0 H LEU A 40 64.425 46.755 -15.681 1.00 0.00 H new ATOM 0 HA LEU A 40 64.154 49.362 -14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.560 46.844 -13.805 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.159 48.490 -13.359 1.00 0.00 H new ATOM 0 HG LEU A 40 62.209 47.411 -16.191 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.756 47.597 -16.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.394 46.442 -14.870 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.884 48.067 -14.354 1.00 0.00 H new ATOM 0 HD21 LEU A 40 61.105 49.537 -16.769 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.287 50.084 -15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.728 49.800 -16.089 1.00 0.00 H new ATOM 577 N TRP A 41 66.168 48.033 -13.075 1.00 0.00 N ATOM 578 CA TRP A 41 67.033 47.612 -11.978 1.00 0.00 C ATOM 579 C TRP A 41 67.373 48.789 -11.070 1.00 0.00 C ATOM 580 O TRP A 41 67.158 49.947 -11.431 1.00 0.00 O ATOM 581 CB TRP A 41 68.317 46.986 -12.525 1.00 0.00 C ATOM 582 CG TRP A 41 68.286 45.488 -12.544 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.181 44.692 -12.646 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.411 44.607 -12.456 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.551 43.369 -12.627 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.914 43.290 -12.512 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.790 44.801 -12.338 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.748 42.176 -12.453 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.616 43.695 -12.278 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.093 42.396 -12.337 1.00 0.00 C ATOM 0 H TRP A 41 66.649 48.530 -13.825 1.00 0.00 H new ATOM 0 HA TRP A 41 66.496 46.867 -11.390 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.488 47.352 -13.537 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.161 47.317 -11.920 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.165 45.050 -12.729 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.914 42.575 -12.689 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.203 45.798 -12.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.347 41.174 -12.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.683 43.834 -12.184 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.765 41.552 -12.290 1.00 0.00 H new ATOM 601 N THR A 42 67.905 48.487 -9.890 1.00 0.00 N ATOM 602 CA THR A 42 68.273 49.520 -8.931 1.00 0.00 C ATOM 603 C THR A 42 69.747 49.419 -8.553 1.00 0.00 C ATOM 604 O THR A 42 70.405 48.423 -8.848 1.00 0.00 O ATOM 605 CB THR A 42 67.420 49.429 -7.651 1.00 0.00 C ATOM 606 OG1 THR A 42 67.668 50.565 -6.815 1.00 0.00 O ATOM 607 CG2 THR A 42 67.728 48.152 -6.885 1.00 0.00 C ATOM 0 H THR A 42 68.091 47.535 -9.576 1.00 0.00 H new ATOM 0 HA THR A 42 68.089 50.479 -9.414 1.00 0.00 H new ATOM 0 HB THR A 42 66.369 49.415 -7.941 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.121 50.500 -6.005 1.00 0.00 H new ATOM 0 HG21 THR A 42 67.114 48.110 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.510 47.289 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.782 48.140 -6.606 1.00 0.00 H new ATOM 615 N GLN A 43 70.258 50.457 -7.899 1.00 0.00 N ATOM 616 CA GLN A 43 71.654 50.485 -7.481 1.00 0.00 C ATOM 617 C GLN A 43 71.994 49.260 -6.637 1.00 0.00 C ATOM 618 O GLN A 43 73.139 48.811 -6.613 1.00 0.00 O ATOM 619 CB GLN A 43 71.948 51.761 -6.691 1.00 0.00 C ATOM 620 CG GLN A 43 71.764 53.034 -7.501 1.00 0.00 C ATOM 621 CD GLN A 43 71.441 54.235 -6.634 1.00 0.00 C ATOM 622 OE1 GLN A 43 70.315 54.734 -6.639 1.00 0.00 O ATOM 623 NE2 GLN A 43 72.430 54.707 -5.884 1.00 0.00 N ATOM 0 H GLN A 43 69.726 51.290 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 43 72.275 50.471 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.295 51.797 -5.819 1.00 0.00 H new ATOM 0 HB3 GLN A 43 72.972 51.721 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.673 53.234 -8.068 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.962 52.887 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 43 73.348 54.262 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 43 72.272 55.514 -5.281 1.00 0.00 H new ATOM 632 N GLU A 44 70.991 48.726 -5.947 1.00 0.00 N ATOM 633 CA GLU A 44 71.185 47.555 -5.101 1.00 0.00 C ATOM 634 C GLU A 44 71.329 46.292 -5.946 1.00 0.00 C ATOM 635 O GLU A 44 71.980 45.329 -5.539 1.00 0.00 O ATOM 636 CB GLU A 44 70.014 47.400 -4.129 1.00 0.00 C ATOM 637 CG GLU A 44 70.413 46.820 -2.782 1.00 0.00 C ATOM 638 CD GLU A 44 70.274 47.821 -1.652 1.00 0.00 C ATOM 639 OE1 GLU A 44 70.447 49.031 -1.907 1.00 0.00 O ATOM 640 OE2 GLU A 44 69.993 47.395 -0.512 1.00 0.00 O ATOM 0 H GLU A 44 70.037 49.086 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 44 72.103 47.698 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.551 48.374 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 44 69.259 46.758 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 44 69.794 45.948 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 44 71.445 46.474 -2.831 1.00 0.00 H new ATOM 647 N HIS A 45 70.715 46.303 -7.125 1.00 0.00 N ATOM 648 CA HIS A 45 70.774 45.159 -8.028 1.00 0.00 C ATOM 649 C HIS A 45 72.012 45.231 -8.917 1.00 0.00 C ATOM 650 O HIS A 45 72.537 44.206 -9.353 1.00 0.00 O ATOM 651 CB HIS A 45 69.514 45.099 -8.893 1.00 0.00 C ATOM 652 CG HIS A 45 68.312 44.581 -8.165 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.149 45.308 -8.020 1.00 0.00 N ATOM 654 CD2 HIS A 45 68.096 43.400 -7.541 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.271 44.596 -7.337 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.820 43.434 -7.034 1.00 0.00 N ATOM 0 H HIS A 45 70.171 47.091 -7.477 1.00 0.00 H new ATOM 0 HA HIS A 45 70.834 44.254 -7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.296 46.097 -9.273 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.707 44.464 -9.758 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.797 42.582 -7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.273 44.911 -7.071 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.370 42.684 -6.509 1.00 0.00 H new ATOM 664 N VAL A 46 72.474 46.449 -9.181 1.00 0.00 N ATOM 665 CA VAL A 46 73.651 46.655 -10.018 1.00 0.00 C ATOM 666 C VAL A 46 74.926 46.266 -9.278 1.00 0.00 C ATOM 667 O VAL A 46 75.916 45.869 -9.893 1.00 0.00 O ATOM 668 CB VAL A 46 73.763 48.122 -10.476 1.00 0.00 C ATOM 669 CG1 VAL A 46 74.983 48.311 -11.365 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.495 48.553 -11.197 1.00 0.00 C ATOM 0 H VAL A 46 72.052 47.308 -8.828 1.00 0.00 H new ATOM 0 HA VAL A 46 73.534 46.016 -10.894 1.00 0.00 H new ATOM 0 HB VAL A 46 73.884 48.752 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.046 49.353 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 46 75.882 48.044 -10.810 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.896 47.672 -12.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 72.592 49.592 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.340 47.920 -12.071 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.643 48.456 -10.524 1.00 0.00 H new ATOM 680 N ARG A 47 74.894 46.382 -7.954 1.00 0.00 N ATOM 681 CA ARG A 47 76.048 46.043 -7.130 1.00 0.00 C ATOM 682 C ARG A 47 76.002 44.578 -6.707 1.00 0.00 C ATOM 683 O ARG A 47 76.970 43.840 -6.886 1.00 0.00 O ATOM 684 CB ARG A 47 76.099 46.941 -5.893 1.00 0.00 C ATOM 685 CG ARG A 47 77.503 47.149 -5.349 1.00 0.00 C ATOM 686 CD ARG A 47 77.507 47.218 -3.830 1.00 0.00 C ATOM 687 NE ARG A 47 78.863 47.265 -3.287 1.00 0.00 N ATOM 688 CZ ARG A 47 79.134 47.465 -2.003 1.00 0.00 C ATOM 689 NH1 ARG A 47 78.148 47.636 -1.133 1.00 0.00 N ATOM 690 NH2 ARG A 47 80.393 47.495 -1.586 1.00 0.00 N ATOM 0 H ARG A 47 74.082 46.708 -7.430 1.00 0.00 H new ATOM 0 HA ARG A 47 76.947 46.203 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.667 47.911 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 47 75.477 46.505 -5.112 1.00 0.00 H new ATOM 0 HG2 ARG A 47 78.147 46.334 -5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 47 77.920 48.070 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.956 48.101 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.985 46.350 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 47 79.644 47.137 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.179 47.614 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.359 47.789 -0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 47 81.154 47.364 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 47 80.600 47.649 -0.599 1.00 0.00 H new ATOM 704 N GLN A 48 74.871 44.165 -6.144 1.00 0.00 N ATOM 705 CA GLN A 48 74.700 42.789 -5.694 1.00 0.00 C ATOM 706 C GLN A 48 74.999 41.807 -6.821 1.00 0.00 C ATOM 707 O GLN A 48 75.734 40.837 -6.634 1.00 0.00 O ATOM 708 CB GLN A 48 73.277 42.573 -5.176 1.00 0.00 C ATOM 709 CG GLN A 48 73.071 43.045 -3.746 1.00 0.00 C ATOM 710 CD GLN A 48 72.410 41.995 -2.875 1.00 0.00 C ATOM 711 OE1 GLN A 48 71.265 41.608 -3.110 1.00 0.00 O ATOM 712 NE2 GLN A 48 73.129 41.528 -1.861 1.00 0.00 N ATOM 0 H GLN A 48 74.060 44.764 -5.989 1.00 0.00 H new ATOM 0 HA GLN A 48 75.405 42.608 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.579 43.099 -5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 48 73.034 41.512 -5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 48 74.035 43.316 -3.314 1.00 0.00 H new ATOM 0 HG3 GLN A 48 72.459 43.947 -3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 48 74.074 41.877 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 48 72.736 40.820 -1.240 1.00 0.00 H new ATOM 721 N TRP A 49 74.424 42.063 -7.990 1.00 0.00 N ATOM 722 CA TRP A 49 74.629 41.201 -9.148 1.00 0.00 C ATOM 723 C TRP A 49 76.115 41.014 -9.432 1.00 0.00 C ATOM 724 O TRP A 49 76.580 39.894 -9.650 1.00 0.00 O ATOM 725 CB TRP A 49 73.932 41.788 -10.377 1.00 0.00 C ATOM 726 CG TRP A 49 74.240 41.049 -11.644 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.868 39.774 -11.961 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.986 41.541 -12.763 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.338 39.443 -13.209 1.00 0.00 N ATOM 730 CE2 TRP A 49 75.026 40.510 -13.723 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.622 42.751 -13.049 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.677 40.655 -14.944 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.269 42.894 -14.262 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.292 41.852 -15.198 1.00 0.00 C ATOM 0 H TRP A 49 73.812 42.861 -8.161 1.00 0.00 H new ATOM 0 HA TRP A 49 74.196 40.226 -8.924 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.854 41.780 -10.213 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.229 42.830 -10.491 1.00 0.00 H new ATOM 0 HD1 TRP A 49 73.289 39.121 -11.324 1.00 0.00 H new ATOM 0 HE1 TRP A 49 74.197 38.548 -13.677 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.609 43.561 -12.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.697 39.852 -15.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.765 43.825 -14.492 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.804 41.995 -16.138 1.00 0.00 H new ATOM 745 N LEU A 50 76.857 42.116 -9.428 1.00 0.00 N ATOM 746 CA LEU A 50 78.292 42.073 -9.685 1.00 0.00 C ATOM 747 C LEU A 50 79.008 41.229 -8.636 1.00 0.00 C ATOM 748 O LEU A 50 79.661 40.239 -8.963 1.00 0.00 O ATOM 749 CB LEU A 50 78.870 43.490 -9.698 1.00 0.00 C ATOM 750 CG LEU A 50 80.063 43.719 -10.626 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.589 44.018 -12.040 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.936 44.851 -10.104 1.00 0.00 C ATOM 0 H LEU A 50 76.488 43.050 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 50 78.448 41.614 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 50 78.077 44.182 -9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.170 43.748 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 50 80.661 42.808 -10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.452 44.178 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 50 79.006 43.176 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.969 44.914 -12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.780 45.000 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 50 80.349 45.768 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.305 44.597 -9.110 1.00 0.00 H new ATOM 764 N GLU A 51 78.879 41.628 -7.374 1.00 0.00 N ATOM 765 CA GLU A 51 79.513 40.906 -6.277 1.00 0.00 C ATOM 766 C GLU A 51 79.128 39.429 -6.303 1.00 0.00 C ATOM 767 O GLU A 51 79.917 38.565 -5.920 1.00 0.00 O ATOM 768 CB GLU A 51 79.116 41.524 -4.934 1.00 0.00 C ATOM 769 CG GLU A 51 79.936 42.748 -4.562 1.00 0.00 C ATOM 770 CD GLU A 51 79.822 43.101 -3.092 1.00 0.00 C ATOM 771 OE1 GLU A 51 78.711 42.978 -2.536 1.00 0.00 O ATOM 772 OE2 GLU A 51 80.846 43.500 -2.498 1.00 0.00 O ATOM 0 H GLU A 51 78.342 42.446 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 51 80.593 40.984 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.062 41.800 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.224 40.773 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.982 42.568 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.608 43.597 -5.162 1.00 0.00 H new ATOM 779 N TRP A 52 77.912 39.149 -6.757 1.00 0.00 N ATOM 780 CA TRP A 52 77.422 37.777 -6.832 1.00 0.00 C ATOM 781 C TRP A 52 78.096 37.020 -7.971 1.00 0.00 C ATOM 782 O TRP A 52 78.579 35.904 -7.787 1.00 0.00 O ATOM 783 CB TRP A 52 75.905 37.766 -7.023 1.00 0.00 C ATOM 784 CG TRP A 52 75.339 36.390 -7.206 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.940 35.530 -6.223 1.00 0.00 C ATOM 786 CD2 TRP A 52 75.113 35.714 -8.448 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.479 34.361 -6.778 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.573 34.449 -8.142 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.311 36.056 -9.788 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.232 33.528 -9.128 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.972 35.139 -10.766 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.437 33.888 -10.432 1.00 0.00 C ATOM 0 H TRP A 52 77.247 39.853 -7.079 1.00 0.00 H new ATOM 0 HA TRP A 52 77.667 37.278 -5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.434 38.233 -6.158 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.651 38.374 -7.891 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.981 35.738 -5.164 1.00 0.00 H new ATOM 0 HE1 TRP A 52 74.124 33.558 -6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.721 37.019 -10.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.820 32.563 -8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.122 35.392 -11.805 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.181 33.194 -11.219 1.00 0.00 H new ATOM 803 N ALA A 53 78.125 37.635 -9.149 1.00 0.00 N ATOM 804 CA ALA A 53 78.742 37.020 -10.318 1.00 0.00 C ATOM 805 C ALA A 53 80.230 36.775 -10.088 1.00 0.00 C ATOM 806 O ALA A 53 80.730 35.674 -10.319 1.00 0.00 O ATOM 807 CB ALA A 53 78.533 37.892 -11.546 1.00 0.00 C ATOM 0 H ALA A 53 77.728 38.559 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 53 78.263 36.055 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.999 37.420 -12.411 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.465 38.012 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.985 38.870 -11.379 1.00 0.00 H new ATOM 813 N ILE A 54 80.931 37.808 -9.633 1.00 0.00 N ATOM 814 CA ILE A 54 82.361 37.703 -9.371 1.00 0.00 C ATOM 815 C ILE A 54 82.660 36.573 -8.392 1.00 0.00 C ATOM 816 O ILE A 54 83.755 36.010 -8.392 1.00 0.00 O ATOM 817 CB ILE A 54 82.928 39.019 -8.807 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.671 40.170 -9.782 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.417 38.878 -8.527 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.824 41.539 -9.156 1.00 0.00 C ATOM 0 H ILE A 54 80.532 38.726 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 54 82.841 37.489 -10.326 1.00 0.00 H new ATOM 0 HB ILE A 54 82.421 39.242 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.360 40.085 -10.622 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.663 40.075 -10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.803 39.816 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.577 38.082 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.940 38.634 -9.452 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.627 42.306 -9.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.116 41.644 -8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 54 83.839 41.654 -8.777 1.00 0.00 H new ATOM 832 N LYS A 55 81.679 36.244 -7.559 1.00 0.00 N ATOM 833 CA LYS A 55 81.834 35.179 -6.576 1.00 0.00 C ATOM 834 C LYS A 55 81.479 33.824 -7.181 1.00 0.00 C ATOM 835 O LYS A 55 82.322 32.933 -7.265 1.00 0.00 O ATOM 836 CB LYS A 55 80.952 35.451 -5.355 1.00 0.00 C ATOM 837 CG LYS A 55 81.720 35.984 -4.157 1.00 0.00 C ATOM 838 CD LYS A 55 81.053 35.592 -2.849 1.00 0.00 C ATOM 839 CE LYS A 55 81.188 34.101 -2.580 1.00 0.00 C ATOM 840 NZ LYS A 55 79.970 33.542 -1.931 1.00 0.00 N ATOM 0 H LYS A 55 80.767 36.700 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 55 82.878 35.156 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.178 36.168 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 55 80.445 34.529 -5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.740 35.599 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.788 37.070 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.501 36.153 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 55 79.998 35.863 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.372 33.578 -3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 55 82.053 33.924 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 80.102 32.524 -1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 79.808 34.023 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 79.148 33.688 -2.551 1.00 0.00 H new ATOM 854 N GLU A 56 80.226 33.679 -7.601 1.00 0.00 N ATOM 855 CA GLU A 56 79.761 32.433 -8.198 1.00 0.00 C ATOM 856 C GLU A 56 80.657 32.021 -9.363 1.00 0.00 C ATOM 857 O GLU A 56 81.330 30.991 -9.307 1.00 0.00 O ATOM 858 CB GLU A 56 78.316 32.581 -8.680 1.00 0.00 C ATOM 859 CG GLU A 56 77.697 31.277 -9.155 1.00 0.00 C ATOM 860 CD GLU A 56 77.873 30.149 -8.157 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.428 30.307 -7.000 1.00 0.00 O ATOM 862 OE2 GLU A 56 78.455 29.110 -8.531 1.00 0.00 O ATOM 0 H GLU A 56 79.516 34.408 -7.539 1.00 0.00 H new ATOM 0 HA GLU A 56 79.805 31.656 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.711 32.987 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.286 33.306 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.634 31.430 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 78.148 30.990 -10.105 1.00 0.00 H new ATOM 869 N TYR A 57 80.659 32.830 -10.416 1.00 0.00 N ATOM 870 CA TYR A 57 81.469 32.549 -11.595 1.00 0.00 C ATOM 871 C TYR A 57 82.954 32.541 -11.246 1.00 0.00 C ATOM 872 O TYR A 57 83.755 31.883 -11.909 1.00 0.00 O ATOM 873 CB TYR A 57 81.195 33.585 -12.686 1.00 0.00 C ATOM 874 CG TYR A 57 79.824 33.459 -13.310 1.00 0.00 C ATOM 875 CD1 TYR A 57 79.604 32.605 -14.384 1.00 0.00 C ATOM 876 CD2 TYR A 57 78.749 34.195 -12.828 1.00 0.00 C ATOM 877 CE1 TYR A 57 78.352 32.488 -14.958 1.00 0.00 C ATOM 878 CE2 TYR A 57 77.494 34.083 -13.394 1.00 0.00 C ATOM 879 CZ TYR A 57 77.301 33.228 -14.459 1.00 0.00 C ATOM 880 OH TYR A 57 76.053 33.114 -15.028 1.00 0.00 O ATOM 0 H TYR A 57 80.108 33.686 -10.477 1.00 0.00 H new ATOM 0 HA TYR A 57 81.196 31.561 -11.965 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.302 34.584 -12.262 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.950 33.487 -13.466 1.00 0.00 H new ATOM 0 HD1 TYR A 57 80.425 32.023 -14.777 1.00 0.00 H new ATOM 0 HD2 TYR A 57 78.897 34.867 -11.996 1.00 0.00 H new ATOM 0 HE1 TYR A 57 78.198 31.821 -15.793 1.00 0.00 H new ATOM 0 HE2 TYR A 57 76.669 34.661 -13.005 1.00 0.00 H new ATOM 0 HH TYR A 57 75.367 33.278 -14.348 1.00 0.00 H new ATOM 890 N SER A 58 83.313 33.278 -10.200 1.00 0.00 N ATOM 891 CA SER A 58 84.702 33.360 -9.763 1.00 0.00 C ATOM 892 C SER A 58 85.575 33.992 -10.843 1.00 0.00 C ATOM 893 O SER A 58 86.579 33.415 -11.263 1.00 0.00 O ATOM 894 CB SER A 58 85.232 31.968 -9.413 1.00 0.00 C ATOM 895 OG SER A 58 86.336 32.049 -8.529 1.00 0.00 O ATOM 0 H SER A 58 82.661 33.827 -9.639 1.00 0.00 H new ATOM 0 HA SER A 58 84.741 33.990 -8.874 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.438 31.378 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.529 31.449 -10.324 1.00 0.00 H new ATOM 0 HG SER A 58 86.655 31.146 -8.320 1.00 0.00 H new ATOM 901 N LEU A 59 85.185 35.181 -11.289 1.00 0.00 N ATOM 902 CA LEU A 59 85.931 35.894 -12.320 1.00 0.00 C ATOM 903 C LEU A 59 87.249 36.427 -11.769 1.00 0.00 C ATOM 904 O LEU A 59 87.634 36.113 -10.643 1.00 0.00 O ATOM 905 CB LEU A 59 85.094 37.047 -12.878 1.00 0.00 C ATOM 906 CG LEU A 59 83.666 36.698 -13.297 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.842 37.962 -13.488 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.672 35.866 -14.571 1.00 0.00 C ATOM 0 H LEU A 59 84.356 35.672 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 59 86.153 35.192 -13.124 1.00 0.00 H new ATOM 0 HB2 LEU A 59 85.048 37.834 -12.125 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.614 37.462 -13.742 1.00 0.00 H new ATOM 0 HG LEU A 59 83.209 36.107 -12.503 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.828 37.694 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.809 38.520 -12.552 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.297 38.579 -14.263 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.647 35.627 -14.854 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.147 36.431 -15.373 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.226 34.943 -14.400 1.00 0.00 H new ATOM 920 N MET A 60 87.935 37.237 -12.569 1.00 0.00 N ATOM 921 CA MET A 60 89.208 37.817 -12.159 1.00 0.00 C ATOM 922 C MET A 60 89.514 39.079 -12.959 1.00 0.00 C ATOM 923 O MET A 60 89.357 39.104 -14.180 1.00 0.00 O ATOM 924 CB MET A 60 90.338 36.800 -12.339 1.00 0.00 C ATOM 925 CG MET A 60 90.318 36.102 -13.689 1.00 0.00 C ATOM 926 SD MET A 60 91.649 34.899 -13.868 1.00 0.00 S ATOM 927 CE MET A 60 91.173 34.092 -15.395 1.00 0.00 C ATOM 0 H MET A 60 87.630 37.506 -13.504 1.00 0.00 H new ATOM 0 HA MET A 60 89.133 38.085 -11.105 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.295 37.307 -12.215 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.270 36.050 -11.551 1.00 0.00 H new ATOM 0 HG2 MET A 60 89.359 35.600 -13.820 1.00 0.00 H new ATOM 0 HG3 MET A 60 90.398 36.847 -14.480 1.00 0.00 H new ATOM 0 HE1 MET A 60 91.901 33.319 -15.640 1.00 0.00 H new ATOM 0 HE2 MET A 60 90.189 33.639 -15.276 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.139 34.827 -16.199 1.00 0.00 H new ATOM 937 N GLU A 61 89.949 40.125 -12.264 1.00 0.00 N ATOM 938 CA GLU A 61 90.274 41.390 -12.911 1.00 0.00 C ATOM 939 C GLU A 61 89.037 42.003 -13.561 1.00 0.00 C ATOM 940 O GLU A 61 88.786 41.805 -14.750 1.00 0.00 O ATOM 941 CB GLU A 61 91.367 41.185 -13.962 1.00 0.00 C ATOM 942 CG GLU A 61 92.529 40.336 -13.474 1.00 0.00 C ATOM 943 CD GLU A 61 93.742 40.431 -14.378 1.00 0.00 C ATOM 944 OE1 GLU A 61 94.107 41.562 -14.762 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.326 39.376 -14.703 1.00 0.00 O ATOM 0 H GLU A 61 90.084 40.121 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 61 90.639 42.076 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 61 90.929 40.715 -14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.745 42.158 -14.275 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.805 40.650 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.211 39.296 -13.408 1.00 0.00 H new ATOM 952 N ILE A 62 88.269 42.747 -12.772 1.00 0.00 N ATOM 953 CA ILE A 62 87.059 43.389 -13.271 1.00 0.00 C ATOM 954 C ILE A 62 86.817 44.723 -12.573 1.00 0.00 C ATOM 955 O ILE A 62 87.018 44.849 -11.365 1.00 0.00 O ATOM 956 CB ILE A 62 85.824 42.489 -13.076 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.616 43.079 -13.808 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.521 42.319 -11.595 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.479 42.098 -13.986 1.00 0.00 C ATOM 0 H ILE A 62 88.463 42.920 -11.786 1.00 0.00 H new ATOM 0 HA ILE A 62 87.209 43.561 -14.337 1.00 0.00 H new ATOM 0 HB ILE A 62 86.038 41.507 -13.498 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.254 43.946 -13.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.934 43.436 -14.788 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.646 41.681 -11.474 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.376 41.860 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.323 43.294 -11.150 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.658 42.585 -14.512 1.00 0.00 H new ATOM 0 HD12 ILE A 62 83.824 41.242 -14.565 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.134 41.760 -13.009 1.00 0.00 H new ATOM 971 N ASP A 63 86.383 45.716 -13.342 1.00 0.00 N ATOM 972 CA ASP A 63 86.111 47.041 -12.797 1.00 0.00 C ATOM 973 C ASP A 63 84.878 47.016 -11.899 1.00 0.00 C ATOM 974 O ASP A 63 83.849 46.440 -12.253 1.00 0.00 O ATOM 975 CB ASP A 63 85.912 48.050 -13.930 1.00 0.00 C ATOM 976 CG ASP A 63 86.532 49.398 -13.620 1.00 0.00 C ATOM 977 OD1 ASP A 63 86.872 49.637 -12.442 1.00 0.00 O ATOM 978 OD2 ASP A 63 86.677 50.213 -14.554 1.00 0.00 O ATOM 0 H ASP A 63 86.212 45.628 -14.344 1.00 0.00 H new ATOM 0 HA ASP A 63 86.969 47.344 -12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 86.350 47.654 -14.846 1.00 0.00 H new ATOM 0 HB3 ASP A 63 84.846 48.178 -14.116 1.00 0.00 H new ATOM 983 N THR A 64 84.989 47.644 -10.732 1.00 0.00 N ATOM 984 CA THR A 64 83.886 47.692 -9.782 1.00 0.00 C ATOM 985 C THR A 64 83.350 49.112 -9.633 1.00 0.00 C ATOM 986 O THR A 64 82.166 49.313 -9.362 1.00 0.00 O ATOM 987 CB THR A 64 84.313 47.170 -8.397 1.00 0.00 C ATOM 988 OG1 THR A 64 85.733 47.284 -8.247 1.00 0.00 O ATOM 989 CG2 THR A 64 83.895 45.719 -8.213 1.00 0.00 C ATOM 0 H THR A 64 85.833 48.126 -10.423 1.00 0.00 H new ATOM 0 HA THR A 64 83.100 47.049 -10.178 1.00 0.00 H new ATOM 0 HB THR A 64 83.817 47.774 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.996 46.952 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.207 45.373 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.811 45.639 -8.299 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.366 45.104 -8.980 1.00 0.00 H new ATOM 997 N SER A 65 84.228 50.093 -9.813 1.00 0.00 N ATOM 998 CA SER A 65 83.843 51.494 -9.696 1.00 0.00 C ATOM 999 C SER A 65 82.849 51.878 -10.788 1.00 0.00 C ATOM 1000 O SER A 65 82.046 52.795 -10.618 1.00 0.00 O ATOM 1001 CB SER A 65 85.078 52.393 -9.775 1.00 0.00 C ATOM 1002 OG SER A 65 85.261 53.117 -8.571 1.00 0.00 O ATOM 0 H SER A 65 85.211 49.943 -10.040 1.00 0.00 H new ATOM 0 HA SER A 65 83.363 51.633 -8.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.961 51.786 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 84.973 53.088 -10.608 1.00 0.00 H new ATOM 0 HG SER A 65 86.058 53.682 -8.647 1.00 0.00 H new ATOM 1008 N PHE A 66 82.911 51.169 -11.910 1.00 0.00 N ATOM 1009 CA PHE A 66 82.018 51.435 -13.032 1.00 0.00 C ATOM 1010 C PHE A 66 80.585 51.036 -12.693 1.00 0.00 C ATOM 1011 O PHE A 66 79.629 51.602 -13.225 1.00 0.00 O ATOM 1012 CB PHE A 66 82.489 50.679 -14.277 1.00 0.00 C ATOM 1013 CG PHE A 66 82.620 51.550 -15.493 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.582 52.546 -15.549 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.782 51.372 -16.582 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.703 53.349 -16.667 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.899 52.172 -17.703 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.862 53.161 -17.746 1.00 0.00 C ATOM 0 H PHE A 66 83.570 50.406 -12.067 1.00 0.00 H new ATOM 0 HA PHE A 66 82.040 52.506 -13.235 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.452 50.214 -14.067 1.00 0.00 H new ATOM 0 HB3 PHE A 66 81.786 49.874 -14.491 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.245 52.696 -14.709 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.028 50.599 -16.555 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.455 54.123 -16.697 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.238 52.024 -18.544 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.957 53.786 -18.622 1.00 0.00 H new ATOM 1028 N PHE A 67 80.444 50.058 -11.805 1.00 0.00 N ATOM 1029 CA PHE A 67 79.128 49.581 -11.396 1.00 0.00 C ATOM 1030 C PHE A 67 78.822 49.996 -9.959 1.00 0.00 C ATOM 1031 O PHE A 67 78.131 49.285 -9.231 1.00 0.00 O ATOM 1032 CB PHE A 67 79.050 48.059 -11.526 1.00 0.00 C ATOM 1033 CG PHE A 67 79.568 47.542 -12.838 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.774 47.575 -13.973 1.00 0.00 C ATOM 1035 CD2 PHE A 67 80.849 47.024 -12.936 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.247 47.100 -15.181 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.329 46.549 -14.142 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.526 46.586 -15.266 1.00 0.00 C ATOM 0 H PHE A 67 81.225 49.580 -11.355 1.00 0.00 H new ATOM 0 HA PHE A 67 78.385 50.033 -12.053 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.618 47.603 -10.715 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.013 47.745 -11.404 1.00 0.00 H new ATOM 0 HD1 PHE A 67 77.773 47.977 -13.913 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.480 46.991 -12.060 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.617 47.131 -16.058 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.330 46.149 -14.206 1.00 0.00 H new ATOM 0 HZ PHE A 67 80.898 46.214 -16.209 1.00 0.00 H new ATOM 1048 N GLN A 68 79.344 51.152 -9.560 1.00 0.00 N ATOM 1049 CA GLN A 68 79.128 51.661 -8.211 1.00 0.00 C ATOM 1050 C GLN A 68 77.853 52.495 -8.141 1.00 0.00 C ATOM 1051 O GLN A 68 77.215 52.585 -7.093 1.00 0.00 O ATOM 1052 CB GLN A 68 80.325 52.500 -7.762 1.00 0.00 C ATOM 1053 CG GLN A 68 80.418 53.848 -8.458 1.00 0.00 C ATOM 1054 CD GLN A 68 79.910 54.987 -7.596 1.00 0.00 C ATOM 1055 OE1 GLN A 68 78.883 54.864 -6.927 1.00 0.00 O ATOM 1056 NE2 GLN A 68 80.628 56.104 -7.607 1.00 0.00 N ATOM 0 H GLN A 68 79.919 51.753 -10.151 1.00 0.00 H new ATOM 0 HA GLN A 68 79.019 50.808 -7.541 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.263 52.660 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 68 81.241 51.940 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.455 54.040 -8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 68 79.844 53.815 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 68 81.472 56.162 -8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 68 80.335 56.904 -7.046 1.00 0.00 H new ATOM 1065 N ASN A 69 77.487 53.102 -9.265 1.00 0.00 N ATOM 1066 CA ASN A 69 76.288 53.930 -9.331 1.00 0.00 C ATOM 1067 C ASN A 69 75.709 53.938 -10.742 1.00 0.00 C ATOM 1068 O ASN A 69 75.046 54.893 -11.147 1.00 0.00 O ATOM 1069 CB ASN A 69 76.605 55.360 -8.889 1.00 0.00 C ATOM 1070 CG ASN A 69 77.791 55.945 -9.632 1.00 0.00 C ATOM 1071 OD1 ASN A 69 78.265 55.374 -10.614 1.00 0.00 O ATOM 1072 ND2 ASN A 69 78.275 57.089 -9.164 1.00 0.00 N ATOM 0 H ASN A 69 78.003 53.036 -10.142 1.00 0.00 H new ATOM 0 HA ASN A 69 75.546 53.505 -8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 69 75.731 55.990 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.810 55.370 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 69 79.072 57.531 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 69 77.850 57.526 -8.347 1.00 0.00 H new ATOM 1079 N MET A 70 75.964 52.867 -11.487 1.00 0.00 N ATOM 1080 CA MET A 70 75.467 52.750 -12.853 1.00 0.00 C ATOM 1081 C MET A 70 73.983 52.400 -12.863 1.00 0.00 C ATOM 1082 O MET A 70 73.536 51.528 -12.117 1.00 0.00 O ATOM 1083 CB MET A 70 76.259 51.687 -13.617 1.00 0.00 C ATOM 1084 CG MET A 70 75.975 51.674 -15.110 1.00 0.00 C ATOM 1085 SD MET A 70 77.179 52.629 -16.055 1.00 0.00 S ATOM 1086 CE MET A 70 78.298 51.334 -16.582 1.00 0.00 C ATOM 0 H MET A 70 76.512 52.068 -11.168 1.00 0.00 H new ATOM 0 HA MET A 70 75.598 53.714 -13.345 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.324 51.856 -13.460 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.028 50.706 -13.203 1.00 0.00 H new ATOM 0 HG2 MET A 70 75.974 50.644 -15.467 1.00 0.00 H new ATOM 0 HG3 MET A 70 74.977 52.075 -15.290 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.797 51.637 -17.503 1.00 0.00 H new ATOM 0 HE2 MET A 70 79.043 51.159 -15.806 1.00 0.00 H new ATOM 0 HE3 MET A 70 77.736 50.417 -16.759 1.00 0.00 H new ATOM 1096 N ASP A 71 73.224 53.085 -13.711 1.00 0.00 N ATOM 1097 CA ASP A 71 71.789 52.845 -13.819 1.00 0.00 C ATOM 1098 C ASP A 71 71.510 51.553 -14.580 1.00 0.00 C ATOM 1099 O ASP A 71 72.146 51.267 -15.593 1.00 0.00 O ATOM 1100 CB ASP A 71 71.105 54.021 -14.517 1.00 0.00 C ATOM 1101 CG ASP A 71 71.650 55.361 -14.063 1.00 0.00 C ATOM 1102 OD1 ASP A 71 71.736 55.582 -12.836 1.00 0.00 O ATOM 1103 OD2 ASP A 71 71.992 56.188 -14.933 1.00 0.00 O ATOM 0 H ASP A 71 73.578 53.811 -14.334 1.00 0.00 H new ATOM 0 HA ASP A 71 71.385 52.746 -12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.235 53.926 -15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.033 53.983 -14.321 1.00 0.00 H new ATOM 1108 N GLY A 72 70.553 50.774 -14.083 1.00 0.00 N ATOM 1109 CA GLY A 72 70.207 49.521 -14.728 1.00 0.00 C ATOM 1110 C GLY A 72 69.899 49.694 -16.202 1.00 0.00 C ATOM 1111 O GLY A 72 70.187 48.812 -17.012 1.00 0.00 O ATOM 0 H GLY A 72 70.012 50.989 -13.246 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.031 48.817 -14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.342 49.085 -14.228 1.00 0.00 H new ATOM 1115 N LYS A 73 69.310 50.832 -16.552 1.00 0.00 N ATOM 1116 CA LYS A 73 68.961 51.118 -17.939 1.00 0.00 C ATOM 1117 C LYS A 73 70.206 51.139 -18.820 1.00 0.00 C ATOM 1118 O LYS A 73 70.134 50.865 -20.017 1.00 0.00 O ATOM 1119 CB LYS A 73 68.232 52.460 -18.036 1.00 0.00 C ATOM 1120 CG LYS A 73 66.760 52.329 -18.387 1.00 0.00 C ATOM 1121 CD LYS A 73 66.311 53.431 -19.332 1.00 0.00 C ATOM 1122 CE LYS A 73 64.963 53.113 -19.959 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.846 53.671 -21.335 1.00 0.00 N ATOM 0 H LYS A 73 69.064 51.572 -15.894 1.00 0.00 H new ATOM 0 HA LYS A 73 68.301 50.326 -18.292 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.325 52.984 -17.085 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.723 53.077 -18.789 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.580 51.358 -18.848 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.163 52.365 -17.476 1.00 0.00 H new ATOM 0 HD2 LYS A 73 66.247 54.374 -18.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 67.056 53.565 -20.117 1.00 0.00 H new ATOM 0 HE2 LYS A 73 64.824 52.032 -19.992 1.00 0.00 H new ATOM 0 HE3 LYS A 73 64.167 53.518 -19.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 63.913 53.433 -21.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.954 54.705 -21.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 65.590 53.265 -21.938 1.00 0.00 H new ATOM 1137 N GLU A 74 71.346 51.464 -18.218 1.00 0.00 N ATOM 1138 CA GLU A 74 72.606 51.519 -18.950 1.00 0.00 C ATOM 1139 C GLU A 74 73.254 50.139 -19.022 1.00 0.00 C ATOM 1140 O GLU A 74 73.882 49.788 -20.022 1.00 0.00 O ATOM 1141 CB GLU A 74 73.564 52.510 -18.285 1.00 0.00 C ATOM 1142 CG GLU A 74 73.665 53.840 -19.012 1.00 0.00 C ATOM 1143 CD GLU A 74 74.537 54.841 -18.278 1.00 0.00 C ATOM 1144 OE1 GLU A 74 74.451 54.902 -17.034 1.00 0.00 O ATOM 1145 OE2 GLU A 74 75.303 55.564 -18.948 1.00 0.00 O ATOM 0 H GLU A 74 71.423 51.693 -17.227 1.00 0.00 H new ATOM 0 HA GLU A 74 72.393 51.855 -19.965 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.235 52.689 -17.261 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.555 52.061 -18.227 1.00 0.00 H new ATOM 0 HG2 GLU A 74 74.070 53.674 -20.010 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.666 54.258 -19.138 1.00 0.00 H new ATOM 1152 N LEU A 75 73.096 49.362 -17.957 1.00 0.00 N ATOM 1153 CA LEU A 75 73.666 48.020 -17.898 1.00 0.00 C ATOM 1154 C LEU A 75 73.260 47.202 -19.121 1.00 0.00 C ATOM 1155 O LEU A 75 74.099 46.571 -19.764 1.00 0.00 O ATOM 1156 CB LEU A 75 73.214 47.308 -16.622 1.00 0.00 C ATOM 1157 CG LEU A 75 74.328 46.847 -15.681 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.831 48.009 -14.839 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.839 45.713 -14.791 1.00 0.00 C ATOM 0 H LEU A 75 72.578 49.637 -17.122 1.00 0.00 H new ATOM 0 HA LEU A 75 74.752 48.113 -17.890 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.554 47.977 -16.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.622 46.438 -16.905 1.00 0.00 H new ATOM 0 HG LEU A 75 75.157 46.477 -16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.623 47.662 -14.176 1.00 0.00 H new ATOM 0 HD12 LEU A 75 75.221 48.790 -15.492 1.00 0.00 H new ATOM 0 HD13 LEU A 75 74.010 48.410 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.645 45.398 -14.128 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.993 46.056 -14.196 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.529 44.872 -15.411 1.00 0.00 H new ATOM 1171 N CYS A 76 71.970 47.220 -19.436 1.00 0.00 N ATOM 1172 CA CYS A 76 71.453 46.481 -20.582 1.00 0.00 C ATOM 1173 C CYS A 76 71.892 47.130 -21.891 1.00 0.00 C ATOM 1174 O CYS A 76 72.023 46.460 -22.915 1.00 0.00 O ATOM 1175 CB CYS A 76 69.926 46.409 -20.522 1.00 0.00 C ATOM 1176 SG CYS A 76 69.104 48.010 -20.699 1.00 0.00 S ATOM 0 H CYS A 76 71.263 47.738 -18.914 1.00 0.00 H new ATOM 0 HA CYS A 76 71.859 45.470 -20.544 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.573 45.743 -21.309 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.631 45.964 -19.572 1.00 0.00 H new ATOM 0 HG CYS A 76 69.899 48.954 -20.290 1.00 0.00 H new ATOM 1182 N LYS A 77 72.118 48.439 -21.849 1.00 0.00 N ATOM 1183 CA LYS A 77 72.543 49.180 -23.031 1.00 0.00 C ATOM 1184 C LYS A 77 73.986 48.844 -23.394 1.00 0.00 C ATOM 1185 O LYS A 77 74.352 48.829 -24.569 1.00 0.00 O ATOM 1186 CB LYS A 77 72.404 50.685 -22.791 1.00 0.00 C ATOM 1187 CG LYS A 77 71.174 51.293 -23.443 1.00 0.00 C ATOM 1188 CD LYS A 77 70.986 52.744 -23.033 1.00 0.00 C ATOM 1189 CE LYS A 77 69.687 53.314 -23.581 1.00 0.00 C ATOM 1190 NZ LYS A 77 69.930 54.305 -24.667 1.00 0.00 N ATOM 0 H LYS A 77 72.014 49.008 -21.009 1.00 0.00 H new ATOM 0 HA LYS A 77 71.901 48.889 -23.862 1.00 0.00 H new ATOM 0 HB2 LYS A 77 72.366 50.871 -21.718 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.293 51.189 -23.171 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.267 51.229 -24.527 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.291 50.718 -23.164 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.987 52.819 -21.946 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.826 53.337 -23.395 1.00 0.00 H new ATOM 0 HE2 LYS A 77 69.067 52.503 -23.962 1.00 0.00 H new ATOM 0 HE3 LYS A 77 69.130 53.789 -22.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 69.020 54.670 -25.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 70.501 55.092 -24.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 70.439 53.845 -25.449 1.00 0.00 H new ATOM 1204 N MET A 78 74.799 48.573 -22.379 1.00 0.00 N ATOM 1205 CA MET A 78 76.202 48.234 -22.594 1.00 0.00 C ATOM 1206 C MET A 78 76.338 47.098 -23.602 1.00 0.00 C ATOM 1207 O MET A 78 75.871 45.985 -23.364 1.00 0.00 O ATOM 1208 CB MET A 78 76.861 47.839 -21.271 1.00 0.00 C ATOM 1209 CG MET A 78 77.136 49.019 -20.353 1.00 0.00 C ATOM 1210 SD MET A 78 78.077 48.554 -18.887 1.00 0.00 S ATOM 1211 CE MET A 78 79.725 48.409 -19.573 1.00 0.00 C ATOM 0 H MET A 78 74.512 48.581 -21.400 1.00 0.00 H new ATOM 0 HA MET A 78 76.706 49.114 -22.995 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.218 47.128 -20.752 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.800 47.326 -21.481 1.00 0.00 H new ATOM 0 HG2 MET A 78 77.684 49.783 -20.904 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.189 49.464 -20.046 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.332 47.772 -18.929 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.667 47.969 -20.569 1.00 0.00 H new ATOM 0 HE3 MET A 78 80.180 49.397 -19.639 1.00 0.00 H new ATOM 1221 N ASN A 79 76.981 47.387 -24.729 1.00 0.00 N ATOM 1222 CA ASN A 79 77.178 46.389 -25.774 1.00 0.00 C ATOM 1223 C ASN A 79 78.487 45.634 -25.566 1.00 0.00 C ATOM 1224 O ASN A 79 79.140 45.775 -24.532 1.00 0.00 O ATOM 1225 CB ASN A 79 77.174 47.055 -27.152 1.00 0.00 C ATOM 1226 CG ASN A 79 76.240 46.364 -28.126 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.116 45.139 -28.122 1.00 0.00 O ATOM 1228 ND2 ASN A 79 75.576 47.149 -28.967 1.00 0.00 N ATOM 0 H ASN A 79 77.374 48.304 -24.942 1.00 0.00 H new ATOM 0 HA ASN A 79 76.355 45.676 -25.720 1.00 0.00 H new ATOM 0 HB2 ASN A 79 76.878 48.099 -27.047 1.00 0.00 H new ATOM 0 HB3 ASN A 79 78.186 47.050 -27.558 1.00 0.00 H new ATOM 0 HD21 ASN A 79 74.932 46.741 -29.645 1.00 0.00 H new ATOM 0 HD22 ASN A 79 75.710 48.160 -28.935 1.00 0.00 H new ATOM 1235 N LYS A 80 78.864 44.832 -26.555 1.00 0.00 N ATOM 1236 CA LYS A 80 80.096 44.055 -26.483 1.00 0.00 C ATOM 1237 C LYS A 80 81.311 44.970 -26.375 1.00 0.00 C ATOM 1238 O LYS A 80 82.302 44.628 -25.731 1.00 0.00 O ATOM 1239 CB LYS A 80 80.230 43.156 -27.715 1.00 0.00 C ATOM 1240 CG LYS A 80 81.430 42.227 -27.663 1.00 0.00 C ATOM 1241 CD LYS A 80 81.048 40.852 -27.138 1.00 0.00 C ATOM 1242 CE LYS A 80 81.381 39.760 -28.143 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.673 39.963 -29.437 1.00 0.00 N ATOM 0 H LYS A 80 78.334 44.703 -27.417 1.00 0.00 H new ATOM 0 HA LYS A 80 80.051 43.432 -25.589 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.324 42.559 -27.819 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.304 43.782 -28.604 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.860 42.130 -28.660 1.00 0.00 H new ATOM 0 HG3 LYS A 80 82.200 42.661 -27.024 1.00 0.00 H new ATOM 0 HD2 LYS A 80 81.573 40.660 -26.203 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.981 40.830 -26.915 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.457 39.742 -28.317 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.109 38.789 -27.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.553 39.047 -29.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.740 40.386 -29.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 81.231 40.598 -30.042 1.00 0.00 H new ATOM 1257 N GLU A 81 81.227 46.136 -27.009 1.00 0.00 N ATOM 1258 CA GLU A 81 82.320 47.101 -26.982 1.00 0.00 C ATOM 1259 C GLU A 81 82.362 47.839 -25.647 1.00 0.00 C ATOM 1260 O GLU A 81 83.431 48.044 -25.072 1.00 0.00 O ATOM 1261 CB GLU A 81 82.173 48.104 -28.128 1.00 0.00 C ATOM 1262 CG GLU A 81 82.145 47.457 -29.503 1.00 0.00 C ATOM 1263 CD GLU A 81 82.911 48.256 -30.539 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.064 49.481 -30.348 1.00 0.00 O ATOM 1265 OE2 GLU A 81 83.356 47.658 -31.541 1.00 0.00 O ATOM 0 H GLU A 81 80.414 46.435 -27.547 1.00 0.00 H new ATOM 0 HA GLU A 81 83.255 46.555 -27.105 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.255 48.674 -27.985 1.00 0.00 H new ATOM 0 HB3 GLU A 81 82.999 48.814 -28.086 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.568 46.454 -29.437 1.00 0.00 H new ATOM 0 HG3 GLU A 81 81.110 47.346 -29.827 1.00 0.00 H new ATOM 1272 N ASP A 82 81.191 48.236 -25.161 1.00 0.00 N ATOM 1273 CA ASP A 82 81.092 48.952 -23.894 1.00 0.00 C ATOM 1274 C ASP A 82 81.625 48.100 -22.746 1.00 0.00 C ATOM 1275 O ASP A 82 82.526 48.516 -22.018 1.00 0.00 O ATOM 1276 CB ASP A 82 79.641 49.349 -23.620 1.00 0.00 C ATOM 1277 CG ASP A 82 79.160 50.456 -24.538 1.00 0.00 C ATOM 1278 OD1 ASP A 82 79.266 50.293 -25.771 1.00 0.00 O ATOM 1279 OD2 ASP A 82 78.678 51.486 -24.022 1.00 0.00 O ATOM 0 H ASP A 82 80.297 48.074 -25.625 1.00 0.00 H new ATOM 0 HA ASP A 82 81.699 49.854 -23.966 1.00 0.00 H new ATOM 0 HB2 ASP A 82 79.000 48.476 -23.741 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.546 49.673 -22.584 1.00 0.00 H new ATOM 1284 N PHE A 83 81.062 46.907 -22.590 1.00 0.00 N ATOM 1285 CA PHE A 83 81.478 45.998 -21.529 1.00 0.00 C ATOM 1286 C PHE A 83 82.963 45.667 -21.649 1.00 0.00 C ATOM 1287 O PHE A 83 83.647 45.456 -20.646 1.00 0.00 O ATOM 1288 CB PHE A 83 80.652 44.711 -21.578 1.00 0.00 C ATOM 1289 CG PHE A 83 79.396 44.774 -20.757 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.447 45.102 -19.412 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.164 44.504 -21.331 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.292 45.161 -18.654 1.00 0.00 C ATOM 1293 CE2 PHE A 83 77.006 44.563 -20.578 1.00 0.00 C ATOM 1294 CZ PHE A 83 77.070 44.890 -19.238 1.00 0.00 C ATOM 0 H PHE A 83 80.316 46.547 -23.185 1.00 0.00 H new ATOM 0 HA PHE A 83 81.309 46.493 -20.573 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.389 44.497 -22.614 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.265 43.881 -21.226 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.400 45.314 -18.950 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.108 44.245 -22.378 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.345 45.419 -17.607 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.052 44.353 -21.038 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.167 44.934 -18.648 1.00 0.00 H new ATOM 1304 N LEU A 84 83.456 45.623 -22.882 1.00 0.00 N ATOM 1305 CA LEU A 84 84.860 45.317 -23.134 1.00 0.00 C ATOM 1306 C LEU A 84 85.770 46.315 -22.425 1.00 0.00 C ATOM 1307 O LEU A 84 86.882 45.976 -22.020 1.00 0.00 O ATOM 1308 CB LEU A 84 85.143 45.330 -24.638 1.00 0.00 C ATOM 1309 CG LEU A 84 85.135 43.968 -25.334 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.125 44.141 -26.844 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.335 43.140 -24.898 1.00 0.00 C ATOM 0 H LEU A 84 82.905 45.795 -23.723 1.00 0.00 H new ATOM 0 HA LEU A 84 85.066 44.322 -22.740 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.402 45.967 -25.121 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.116 45.793 -24.800 1.00 0.00 H new ATOM 0 HG LEU A 84 84.228 43.438 -25.044 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.119 43.162 -27.322 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.234 44.695 -27.141 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.014 44.691 -27.153 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.313 42.174 -25.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.254 43.665 -25.159 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.299 42.986 -23.819 1.00 0.00 H new ATOM 1323 N ARG A 85 85.290 47.545 -22.278 1.00 0.00 N ATOM 1324 CA ARG A 85 86.060 48.592 -21.617 1.00 0.00 C ATOM 1325 C ARG A 85 86.102 48.366 -20.109 1.00 0.00 C ATOM 1326 O ARG A 85 87.051 48.768 -19.437 1.00 0.00 O ATOM 1327 CB ARG A 85 85.459 49.966 -21.921 1.00 0.00 C ATOM 1328 CG ARG A 85 85.140 50.179 -23.392 1.00 0.00 C ATOM 1329 CD ARG A 85 84.983 51.655 -23.719 1.00 0.00 C ATOM 1330 NE ARG A 85 83.581 52.060 -23.768 1.00 0.00 N ATOM 1331 CZ ARG A 85 83.170 53.233 -24.236 1.00 0.00 C ATOM 1332 NH1 ARG A 85 84.050 54.113 -24.693 1.00 0.00 N ATOM 1333 NH2 ARG A 85 81.876 53.528 -24.247 1.00 0.00 N ATOM 0 H ARG A 85 84.371 47.841 -22.608 1.00 0.00 H new ATOM 0 HA ARG A 85 87.079 48.556 -22.001 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.546 50.091 -21.338 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.155 50.738 -21.593 1.00 0.00 H new ATOM 0 HG2 ARG A 85 85.935 49.752 -24.003 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.222 49.649 -23.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.506 52.250 -22.970 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.455 51.866 -24.679 1.00 0.00 H new ATOM 0 HE ARG A 85 82.878 51.406 -23.424 1.00 0.00 H new ATOM 0 HH11 ARG A 85 85.045 53.890 -24.686 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.732 55.013 -25.052 1.00 0.00 H new ATOM 0 HH21 ARG A 85 81.196 52.854 -23.896 1.00 0.00 H new ATOM 0 HH22 ARG A 85 81.561 54.429 -24.607 1.00 0.00 H new ATOM 1347 N ALA A 86 85.067 47.719 -19.583 1.00 0.00 N ATOM 1348 CA ALA A 86 84.986 47.438 -18.155 1.00 0.00 C ATOM 1349 C ALA A 86 85.709 46.141 -17.809 1.00 0.00 C ATOM 1350 O ALA A 86 86.363 46.040 -16.771 1.00 0.00 O ATOM 1351 CB ALA A 86 83.532 47.369 -17.712 1.00 0.00 C ATOM 0 H ALA A 86 84.272 47.379 -20.125 1.00 0.00 H new ATOM 0 HA ALA A 86 85.478 48.251 -17.621 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.487 47.159 -16.643 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.044 48.322 -17.915 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.022 46.577 -18.260 1.00 0.00 H new ATOM 1357 N THR A 87 85.587 45.149 -18.686 1.00 0.00 N ATOM 1358 CA THR A 87 86.227 43.857 -18.473 1.00 0.00 C ATOM 1359 C THR A 87 86.627 43.216 -19.797 1.00 0.00 C ATOM 1360 O THR A 87 86.291 43.719 -20.869 1.00 0.00 O ATOM 1361 CB THR A 87 85.303 42.892 -17.706 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.029 41.718 -17.326 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.105 42.501 -18.557 1.00 0.00 C ATOM 0 H THR A 87 85.050 45.216 -19.551 1.00 0.00 H new ATOM 0 HA THR A 87 87.121 44.042 -17.878 1.00 0.00 H new ATOM 0 HB THR A 87 84.943 43.401 -16.812 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.668 41.943 -16.618 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.467 41.819 -17.995 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.539 43.394 -18.820 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.450 42.009 -19.466 1.00 0.00 H new ATOM 1371 N THR A 88 87.347 42.101 -19.716 1.00 0.00 N ATOM 1372 CA THR A 88 87.793 41.391 -20.908 1.00 0.00 C ATOM 1373 C THR A 88 86.621 40.731 -21.625 1.00 0.00 C ATOM 1374 O THR A 88 85.515 40.655 -21.089 1.00 0.00 O ATOM 1375 CB THR A 88 88.840 40.316 -20.562 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.236 39.275 -19.787 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.002 40.921 -19.790 1.00 0.00 C ATOM 0 H THR A 88 87.634 41.670 -18.837 1.00 0.00 H new ATOM 0 HA THR A 88 88.247 42.132 -21.566 1.00 0.00 H new ATOM 0 HB THR A 88 89.222 39.899 -21.494 1.00 0.00 H new ATOM 0 HG1 THR A 88 88.908 38.595 -19.573 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.729 40.143 -19.557 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.478 41.693 -20.395 1.00 0.00 H new ATOM 0 HG23 THR A 88 89.633 41.362 -18.864 1.00 0.00 H new ATOM 1385 N LEU A 89 86.870 40.255 -22.840 1.00 0.00 N ATOM 1386 CA LEU A 89 85.834 39.600 -23.632 1.00 0.00 C ATOM 1387 C LEU A 89 85.320 38.349 -22.927 1.00 0.00 C ATOM 1388 O LEU A 89 84.118 38.082 -22.912 1.00 0.00 O ATOM 1389 CB LEU A 89 86.377 39.233 -25.014 1.00 0.00 C ATOM 1390 CG LEU A 89 85.349 39.169 -26.144 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.290 38.120 -25.843 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.706 40.532 -26.358 1.00 0.00 C ATOM 0 H LEU A 89 87.780 40.310 -23.298 1.00 0.00 H new ATOM 0 HA LEU A 89 85.004 40.297 -23.748 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.142 39.960 -25.287 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.870 38.263 -24.943 1.00 0.00 H new ATOM 0 HG LEU A 89 85.863 38.884 -27.062 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.567 38.089 -26.658 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.764 37.144 -25.740 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.779 38.375 -24.914 1.00 0.00 H new ATOM 0 HD21 LEU A 89 83.977 40.468 -27.166 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.206 40.846 -25.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.474 41.260 -26.620 1.00 0.00 H new ATOM 1404 N TYR A 90 86.236 37.587 -22.341 1.00 0.00 N ATOM 1405 CA TYR A 90 85.875 36.364 -21.634 1.00 0.00 C ATOM 1406 C TYR A 90 84.790 36.635 -20.596 1.00 0.00 C ATOM 1407 O TYR A 90 83.844 35.861 -20.454 1.00 0.00 O ATOM 1408 CB TYR A 90 87.106 35.760 -20.956 1.00 0.00 C ATOM 1409 CG TYR A 90 86.788 34.583 -20.061 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.761 33.289 -20.565 1.00 0.00 C ATOM 1411 CD2 TYR A 90 86.515 34.766 -18.711 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.470 32.211 -19.751 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.224 33.694 -17.889 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.203 32.419 -18.414 1.00 0.00 C ATOM 1415 OH TYR A 90 85.914 31.348 -17.600 1.00 0.00 O ATOM 0 H TYR A 90 87.235 37.795 -22.341 1.00 0.00 H new ATOM 0 HA TYR A 90 85.485 35.654 -22.363 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.813 35.442 -21.722 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.601 36.531 -20.366 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.971 33.123 -21.611 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.530 35.763 -18.297 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.452 31.211 -20.159 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.014 33.854 -16.842 1.00 0.00 H new ATOM 0 HH TYR A 90 85.751 31.665 -16.687 1.00 0.00 H new ATOM 1425 N ASN A 91 84.936 37.740 -19.873 1.00 0.00 N ATOM 1426 CA ASN A 91 83.969 38.115 -18.847 1.00 0.00 C ATOM 1427 C ASN A 91 82.736 38.762 -19.471 1.00 0.00 C ATOM 1428 O ASN A 91 81.608 38.516 -19.044 1.00 0.00 O ATOM 1429 CB ASN A 91 84.608 39.074 -17.841 1.00 0.00 C ATOM 1430 CG ASN A 91 85.527 38.363 -16.867 1.00 0.00 C ATOM 1431 OD1 ASN A 91 85.489 37.139 -16.741 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.361 39.130 -16.173 1.00 0.00 N ATOM 0 H ASN A 91 85.714 38.391 -19.978 1.00 0.00 H new ATOM 0 HA ASN A 91 83.658 37.208 -18.328 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.172 39.836 -18.378 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.824 39.589 -17.286 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.004 38.708 -15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 91 86.358 40.141 -16.310 1.00 0.00 H new ATOM 1439 N THR A 92 82.960 39.590 -20.487 1.00 0.00 N ATOM 1440 CA THR A 92 81.868 40.272 -21.171 1.00 0.00 C ATOM 1441 C THR A 92 80.798 39.285 -21.620 1.00 0.00 C ATOM 1442 O THR A 92 79.604 39.573 -21.544 1.00 0.00 O ATOM 1443 CB THR A 92 82.376 41.055 -22.397 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.346 42.026 -21.991 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.225 41.748 -23.111 1.00 0.00 C ATOM 0 H THR A 92 83.887 39.804 -20.854 1.00 0.00 H new ATOM 0 HA THR A 92 81.435 40.971 -20.456 1.00 0.00 H new ATOM 0 HB THR A 92 82.838 40.348 -23.086 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.105 41.573 -21.569 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.608 42.294 -23.973 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.503 41.003 -23.445 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.739 42.444 -22.427 1.00 0.00 H new ATOM 1453 N GLU A 93 81.233 38.119 -22.087 1.00 0.00 N ATOM 1454 CA GLU A 93 80.310 37.089 -22.549 1.00 0.00 C ATOM 1455 C GLU A 93 79.534 36.489 -21.379 1.00 0.00 C ATOM 1456 O GLU A 93 78.391 36.059 -21.533 1.00 0.00 O ATOM 1457 CB GLU A 93 81.069 35.986 -23.290 1.00 0.00 C ATOM 1458 CG GLU A 93 81.719 36.457 -24.580 1.00 0.00 C ATOM 1459 CD GLU A 93 81.328 35.607 -25.774 1.00 0.00 C ATOM 1460 OE1 GLU A 93 80.115 35.481 -26.041 1.00 0.00 O ATOM 1461 OE2 GLU A 93 82.236 35.069 -26.441 1.00 0.00 O ATOM 0 H GLU A 93 82.218 37.864 -22.155 1.00 0.00 H new ATOM 0 HA GLU A 93 79.601 37.555 -23.233 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.838 35.581 -22.632 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.381 35.171 -23.516 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.436 37.493 -24.768 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.803 36.438 -24.464 1.00 0.00 H new ATOM 1468 N VAL A 94 80.165 36.465 -20.209 1.00 0.00 N ATOM 1469 CA VAL A 94 79.536 35.919 -19.013 1.00 0.00 C ATOM 1470 C VAL A 94 78.552 36.914 -18.407 1.00 0.00 C ATOM 1471 O VAL A 94 77.584 36.525 -17.752 1.00 0.00 O ATOM 1472 CB VAL A 94 80.585 35.539 -17.950 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.915 34.905 -16.741 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.629 34.605 -18.543 1.00 0.00 C ATOM 0 H VAL A 94 81.111 36.817 -20.064 1.00 0.00 H new ATOM 0 HA VAL A 94 78.999 35.021 -19.320 1.00 0.00 H new ATOM 0 HB VAL A 94 81.089 36.448 -17.620 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.672 34.643 -16.001 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.209 35.611 -16.304 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.383 34.005 -17.050 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.362 34.347 -17.779 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.143 33.697 -18.902 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.131 35.101 -19.374 1.00 0.00 H new ATOM 1484 N LEU A 95 78.806 38.198 -18.630 1.00 0.00 N ATOM 1485 CA LEU A 95 77.941 39.251 -18.107 1.00 0.00 C ATOM 1486 C LEU A 95 76.766 39.507 -19.045 1.00 0.00 C ATOM 1487 O LEU A 95 75.607 39.463 -18.631 1.00 0.00 O ATOM 1488 CB LEU A 95 78.739 40.540 -17.906 1.00 0.00 C ATOM 1489 CG LEU A 95 79.887 40.469 -16.899 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.521 41.840 -16.714 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.395 39.924 -15.566 1.00 0.00 C ATOM 0 H LEU A 95 79.603 38.536 -19.169 1.00 0.00 H new ATOM 0 HA LEU A 95 77.548 38.921 -17.145 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.146 40.845 -18.870 1.00 0.00 H new ATOM 0 HB3 LEU A 95 78.051 41.323 -17.588 1.00 0.00 H new ATOM 0 HG LEU A 95 80.645 39.790 -17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.336 41.770 -15.994 1.00 0.00 H new ATOM 0 HD12 LEU A 95 80.910 42.193 -17.669 1.00 0.00 H new ATOM 0 HD13 LEU A 95 79.771 42.541 -16.346 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.226 39.881 -14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.618 40.578 -15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.989 38.923 -15.710 1.00 0.00 H new ATOM 1503 N LEU A 96 77.073 39.773 -20.310 1.00 0.00 N ATOM 1504 CA LEU A 96 76.042 40.034 -21.308 1.00 0.00 C ATOM 1505 C LEU A 96 75.052 38.876 -21.384 1.00 0.00 C ATOM 1506 O LEU A 96 73.843 39.086 -21.491 1.00 0.00 O ATOM 1507 CB LEU A 96 76.679 40.265 -22.680 1.00 0.00 C ATOM 1508 CG LEU A 96 75.722 40.650 -23.808 1.00 0.00 C ATOM 1509 CD1 LEU A 96 75.100 42.011 -23.539 1.00 0.00 C ATOM 1510 CD2 LEU A 96 76.448 40.649 -25.146 1.00 0.00 C ATOM 0 H LEU A 96 78.027 39.814 -20.669 1.00 0.00 H new ATOM 0 HA LEU A 96 75.501 40.932 -21.009 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.429 41.050 -22.583 1.00 0.00 H new ATOM 0 HB3 LEU A 96 77.205 39.356 -22.972 1.00 0.00 H new ATOM 0 HG LEU A 96 74.923 39.910 -23.849 1.00 0.00 H new ATOM 0 HD11 LEU A 96 74.422 42.268 -24.353 1.00 0.00 H new ATOM 0 HD12 LEU A 96 74.546 41.979 -22.601 1.00 0.00 H new ATOM 0 HD13 LEU A 96 75.886 42.763 -23.470 1.00 0.00 H new ATOM 0 HD21 LEU A 96 75.752 40.925 -25.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.267 41.367 -25.116 1.00 0.00 H new ATOM 0 HD23 LEU A 96 76.846 39.654 -25.343 1.00 0.00 H new ATOM 1522 N SER A 97 75.571 37.654 -21.325 1.00 0.00 N ATOM 1523 CA SER A 97 74.733 36.463 -21.388 1.00 0.00 C ATOM 1524 C SER A 97 73.745 36.432 -20.226 1.00 0.00 C ATOM 1525 O SER A 97 72.587 36.048 -20.390 1.00 0.00 O ATOM 1526 CB SER A 97 75.599 35.202 -21.370 1.00 0.00 C ATOM 1527 OG SER A 97 74.811 34.039 -21.555 1.00 0.00 O ATOM 0 H SER A 97 76.569 37.463 -21.234 1.00 0.00 H new ATOM 0 HA SER A 97 74.170 36.494 -22.321 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.352 35.263 -22.155 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.132 35.137 -20.421 1.00 0.00 H new ATOM 0 HG SER A 97 75.388 33.247 -21.541 1.00 0.00 H new ATOM 1533 N HIS A 98 74.212 36.838 -19.049 1.00 0.00 N ATOM 1534 CA HIS A 98 73.371 36.858 -17.858 1.00 0.00 C ATOM 1535 C HIS A 98 72.300 37.939 -17.967 1.00 0.00 C ATOM 1536 O HIS A 98 71.132 37.704 -17.652 1.00 0.00 O ATOM 1537 CB HIS A 98 74.223 37.091 -16.610 1.00 0.00 C ATOM 1538 CG HIS A 98 73.622 36.524 -15.360 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.337 36.805 -14.949 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.139 35.687 -14.431 1.00 0.00 C ATOM 1541 CE1 HIS A 98 72.089 36.166 -13.819 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.167 35.480 -13.484 1.00 0.00 N ATOM 0 H HIS A 98 75.168 37.157 -18.895 1.00 0.00 H new ATOM 0 HA HIS A 98 72.877 35.890 -17.776 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.207 36.648 -16.764 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.373 38.162 -16.478 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.131 35.261 -14.434 1.00 0.00 H new ATOM 0 HE1 HIS A 98 71.163 36.199 -13.264 1.00 0.00 H new ATOM 0 HE2 HIS A 98 73.262 34.892 -12.656 1.00 0.00 H new ATOM 1550 N LEU A 99 72.704 39.122 -18.413 1.00 0.00 N ATOM 1551 CA LEU A 99 71.779 40.241 -18.563 1.00 0.00 C ATOM 1552 C LEU A 99 70.782 39.975 -19.686 1.00 0.00 C ATOM 1553 O LEU A 99 69.670 40.504 -19.680 1.00 0.00 O ATOM 1554 CB LEU A 99 72.550 41.532 -18.845 1.00 0.00 C ATOM 1555 CG LEU A 99 72.578 42.558 -17.711 1.00 0.00 C ATOM 1556 CD1 LEU A 99 73.165 41.944 -16.450 1.00 0.00 C ATOM 1557 CD2 LEU A 99 73.369 43.790 -18.126 1.00 0.00 C ATOM 0 H LEU A 99 73.666 39.332 -18.678 1.00 0.00 H new ATOM 0 HA LEU A 99 71.227 40.352 -17.630 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.578 41.270 -19.097 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.117 42.005 -19.726 1.00 0.00 H new ATOM 0 HG LEU A 99 71.554 42.864 -17.498 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.177 42.689 -15.654 1.00 0.00 H new ATOM 0 HD12 LEU A 99 72.557 41.094 -16.142 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.183 41.609 -16.648 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.378 44.509 -17.307 1.00 0.00 H new ATOM 0 HD22 LEU A 99 74.392 43.501 -18.367 1.00 0.00 H new ATOM 0 HD23 LEU A 99 72.904 44.243 -19.001 1.00 0.00 H new ATOM 1569 N SER A 100 71.186 39.151 -20.648 1.00 0.00 N ATOM 1570 CA SER A 100 70.328 38.817 -21.778 1.00 0.00 C ATOM 1571 C SER A 100 69.433 37.627 -21.447 1.00 0.00 C ATOM 1572 O SER A 100 68.334 37.494 -21.985 1.00 0.00 O ATOM 1573 CB SER A 100 71.175 38.504 -23.013 1.00 0.00 C ATOM 1574 OG SER A 100 71.750 39.684 -23.549 1.00 0.00 O ATOM 0 H SER A 100 72.102 38.703 -20.667 1.00 0.00 H new ATOM 0 HA SER A 100 69.695 39.679 -21.989 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.963 37.799 -22.748 1.00 0.00 H new ATOM 0 HB3 SER A 100 70.556 38.021 -23.769 1.00 0.00 H new ATOM 0 HG SER A 100 72.596 39.873 -23.091 1.00 0.00 H new ATOM 1580 N TYR A 101 69.912 36.763 -20.559 1.00 0.00 N ATOM 1581 CA TYR A 101 69.157 35.582 -20.157 1.00 0.00 C ATOM 1582 C TYR A 101 67.830 35.976 -19.515 1.00 0.00 C ATOM 1583 O TYR A 101 66.834 35.261 -19.632 1.00 0.00 O ATOM 1584 CB TYR A 101 69.977 34.735 -19.182 1.00 0.00 C ATOM 1585 CG TYR A 101 69.200 33.589 -18.575 1.00 0.00 C ATOM 1586 CD1 TYR A 101 69.021 32.399 -19.271 1.00 0.00 C ATOM 1587 CD2 TYR A 101 68.645 33.695 -17.305 1.00 0.00 C ATOM 1588 CE1 TYR A 101 68.311 31.350 -18.720 1.00 0.00 C ATOM 1589 CE2 TYR A 101 67.935 32.650 -16.746 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.770 31.480 -17.458 1.00 0.00 C ATOM 1591 OH TYR A 101 67.064 30.436 -16.906 1.00 0.00 O ATOM 0 H TYR A 101 70.820 36.858 -20.104 1.00 0.00 H new ATOM 0 HA TYR A 101 68.947 34.994 -21.051 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.848 34.337 -19.703 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.349 35.375 -18.382 1.00 0.00 H new ATOM 0 HD1 TYR A 101 69.444 32.293 -20.259 1.00 0.00 H new ATOM 0 HD2 TYR A 101 68.771 34.610 -16.746 1.00 0.00 H new ATOM 0 HE1 TYR A 101 68.180 30.433 -19.275 1.00 0.00 H new ATOM 0 HE2 TYR A 101 67.512 32.748 -15.757 1.00 0.00 H new ATOM 0 HH TYR A 101 66.751 30.689 -16.012 1.00 0.00 H new ATOM 1601 N LEU A 102 67.825 37.118 -18.837 1.00 0.00 N ATOM 1602 CA LEU A 102 66.621 37.609 -18.176 1.00 0.00 C ATOM 1603 C LEU A 102 65.628 38.163 -19.193 1.00 0.00 C ATOM 1604 O LEU A 102 64.419 38.158 -18.962 1.00 0.00 O ATOM 1605 CB LEU A 102 66.980 38.692 -17.156 1.00 0.00 C ATOM 1606 CG LEU A 102 67.957 38.278 -16.055 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.314 39.471 -15.182 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.368 37.156 -15.213 1.00 0.00 C ATOM 0 H LEU A 102 68.641 37.721 -18.730 1.00 0.00 H new ATOM 0 HA LEU A 102 66.154 36.771 -17.659 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.405 39.541 -17.691 1.00 0.00 H new ATOM 0 HB3 LEU A 102 66.060 39.040 -16.686 1.00 0.00 H new ATOM 0 HG LEU A 102 68.870 37.912 -16.525 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.010 39.157 -14.404 1.00 0.00 H new ATOM 0 HD12 LEU A 102 68.778 40.244 -15.794 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.410 39.868 -14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 102 68.077 36.874 -14.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.440 37.495 -14.753 1.00 0.00 H new ATOM 0 HD23 LEU A 102 67.164 36.293 -15.847 1.00 0.00 H new ATOM 1620 N ARG A 103 66.148 38.638 -20.321 1.00 0.00 N ATOM 1621 CA ARG A 103 65.308 39.195 -21.374 1.00 0.00 C ATOM 1622 C ARG A 103 64.344 38.142 -21.914 1.00 0.00 C ATOM 1623 O ARG A 103 63.200 38.448 -22.248 1.00 0.00 O ATOM 1624 CB ARG A 103 66.173 39.740 -22.512 1.00 0.00 C ATOM 1625 CG ARG A 103 65.898 41.198 -22.841 1.00 0.00 C ATOM 1626 CD ARG A 103 66.999 41.791 -23.706 1.00 0.00 C ATOM 1627 NE ARG A 103 66.690 43.156 -24.125 1.00 0.00 N ATOM 1628 CZ ARG A 103 65.796 43.453 -25.062 1.00 0.00 C ATOM 1629 NH1 ARG A 103 65.126 42.486 -25.673 1.00 0.00 N ATOM 1630 NH2 ARG A 103 65.571 44.719 -25.388 1.00 0.00 N ATOM 0 H ARG A 103 67.147 38.648 -20.528 1.00 0.00 H new ATOM 0 HA ARG A 103 64.726 40.011 -20.946 1.00 0.00 H new ATOM 0 HB2 ARG A 103 67.224 39.629 -22.244 1.00 0.00 H new ATOM 0 HB3 ARG A 103 66.006 39.137 -23.405 1.00 0.00 H new ATOM 0 HG2 ARG A 103 64.942 41.281 -23.359 1.00 0.00 H new ATOM 0 HG3 ARG A 103 65.811 41.770 -21.917 1.00 0.00 H new ATOM 0 HD2 ARG A 103 67.938 41.785 -23.152 1.00 0.00 H new ATOM 0 HD3 ARG A 103 67.145 41.166 -24.587 1.00 0.00 H new ATOM 0 HE ARG A 103 67.188 43.923 -23.673 1.00 0.00 H new ATOM 0 HH11 ARG A 103 65.296 41.512 -25.424 1.00 0.00 H new ATOM 0 HH12 ARG A 103 64.440 42.716 -26.392 1.00 0.00 H new ATOM 0 HH21 ARG A 103 66.084 45.465 -24.919 1.00 0.00 H new ATOM 0 HH22 ARG A 103 64.885 44.946 -26.107 1.00 0.00 H new ATOM 1644 N GLU A 104 64.816 36.902 -21.996 1.00 0.00 N ATOM 1645 CA GLU A 104 63.996 35.805 -22.496 1.00 0.00 C ATOM 1646 C GLU A 104 62.667 35.733 -21.749 1.00 0.00 C ATOM 1647 O GLU A 104 61.656 35.296 -22.299 1.00 0.00 O ATOM 1648 CB GLU A 104 64.743 34.476 -22.359 1.00 0.00 C ATOM 1649 CG GLU A 104 65.227 33.910 -23.683 1.00 0.00 C ATOM 1650 CD GLU A 104 65.906 32.563 -23.529 1.00 0.00 C ATOM 1651 OE1 GLU A 104 67.092 32.539 -23.141 1.00 0.00 O ATOM 1652 OE2 GLU A 104 65.251 31.534 -23.796 1.00 0.00 O ATOM 0 H GLU A 104 65.761 36.632 -21.723 1.00 0.00 H new ATOM 0 HA GLU A 104 63.791 35.991 -23.550 1.00 0.00 H new ATOM 0 HB2 GLU A 104 65.599 34.617 -21.699 1.00 0.00 H new ATOM 0 HB3 GLU A 104 64.088 33.748 -21.880 1.00 0.00 H new ATOM 0 HG2 GLU A 104 64.380 33.810 -24.362 1.00 0.00 H new ATOM 0 HG3 GLU A 104 65.923 34.613 -24.142 1.00 0.00 H new ATOM 1659 N SER A 105 62.678 36.166 -20.492 1.00 0.00 N ATOM 1660 CA SER A 105 61.476 36.147 -19.667 1.00 0.00 C ATOM 1661 C SER A 105 60.339 36.904 -20.346 1.00 0.00 C ATOM 1662 O SER A 105 59.164 36.628 -20.106 1.00 0.00 O ATOM 1663 CB SER A 105 61.764 36.761 -18.295 1.00 0.00 C ATOM 1664 OG SER A 105 60.979 36.147 -17.287 1.00 0.00 O ATOM 0 H SER A 105 63.506 36.534 -20.023 1.00 0.00 H new ATOM 0 HA SER A 105 61.171 35.109 -19.536 1.00 0.00 H new ATOM 0 HB2 SER A 105 62.822 36.647 -18.057 1.00 0.00 H new ATOM 0 HB3 SER A 105 61.557 37.831 -18.321 1.00 0.00 H new ATOM 0 HG SER A 105 61.182 36.556 -16.420 1.00 0.00 H new ATOM 1670 N SER A 106 60.698 37.861 -21.196 1.00 0.00 N ATOM 1671 CA SER A 106 59.709 38.662 -21.908 1.00 0.00 C ATOM 1672 C SER A 106 59.402 38.056 -23.274 1.00 0.00 C ATOM 1673 O SER A 106 58.275 38.139 -23.764 1.00 0.00 O ATOM 1674 CB SER A 106 60.209 40.098 -22.076 1.00 0.00 C ATOM 1675 OG SER A 106 59.500 40.768 -23.104 1.00 0.00 O ATOM 0 H SER A 106 61.666 38.100 -21.408 1.00 0.00 H new ATOM 0 HA SER A 106 58.792 38.671 -21.318 1.00 0.00 H new ATOM 0 HB2 SER A 106 60.092 40.639 -21.137 1.00 0.00 H new ATOM 0 HB3 SER A 106 61.274 40.091 -22.309 1.00 0.00 H new ATOM 0 HG SER A 106 59.837 41.684 -23.190 1.00 0.00 H new ATOM 1681 N LEU A 107 60.412 37.446 -23.885 1.00 0.00 N ATOM 1682 CA LEU A 107 60.252 36.826 -25.195 1.00 0.00 C ATOM 1683 C LEU A 107 59.154 35.767 -25.166 1.00 0.00 C ATOM 1684 O LEU A 107 58.566 35.437 -26.197 1.00 0.00 O ATOM 1685 CB LEU A 107 61.570 36.197 -25.648 1.00 0.00 C ATOM 1686 CG LEU A 107 62.584 37.148 -26.284 1.00 0.00 C ATOM 1687 CD1 LEU A 107 62.006 37.783 -27.540 1.00 0.00 C ATOM 1688 CD2 LEU A 107 63.007 38.219 -25.289 1.00 0.00 C ATOM 0 H LEU A 107 61.351 37.368 -23.494 1.00 0.00 H new ATOM 0 HA LEU A 107 59.964 37.602 -25.904 1.00 0.00 H new ATOM 0 HB2 LEU A 107 62.038 35.723 -24.786 1.00 0.00 H new ATOM 0 HB3 LEU A 107 61.345 35.406 -26.364 1.00 0.00 H new ATOM 0 HG LEU A 107 63.466 36.573 -26.566 1.00 0.00 H new ATOM 0 HD11 LEU A 107 62.742 38.457 -27.979 1.00 0.00 H new ATOM 0 HD12 LEU A 107 61.754 37.003 -28.259 1.00 0.00 H new ATOM 0 HD13 LEU A 107 61.108 38.344 -27.283 1.00 0.00 H new ATOM 0 HD21 LEU A 107 63.729 38.887 -25.759 1.00 0.00 H new ATOM 0 HD22 LEU A 107 62.133 38.791 -24.977 1.00 0.00 H new ATOM 0 HD23 LEU A 107 63.462 37.747 -24.418 1.00 0.00 H new ATOM 1700 N LEU A 108 58.881 35.239 -23.978 1.00 0.00 N ATOM 1701 CA LEU A 108 57.851 34.218 -23.812 1.00 0.00 C ATOM 1702 C LEU A 108 56.459 34.841 -23.833 1.00 0.00 C ATOM 1703 O LEU A 108 55.468 34.161 -24.098 1.00 0.00 O ATOM 1704 CB LEU A 108 58.064 33.459 -22.501 1.00 0.00 C ATOM 1705 CG LEU A 108 57.548 34.147 -21.237 1.00 0.00 C ATOM 1706 CD1 LEU A 108 56.111 33.739 -20.955 1.00 0.00 C ATOM 1707 CD2 LEU A 108 58.441 33.817 -20.049 1.00 0.00 C ATOM 0 H LEU A 108 59.358 35.501 -23.115 1.00 0.00 H new ATOM 0 HA LEU A 108 57.928 33.519 -24.645 1.00 0.00 H new ATOM 0 HB2 LEU A 108 57.580 32.486 -22.585 1.00 0.00 H new ATOM 0 HB3 LEU A 108 59.131 33.274 -22.380 1.00 0.00 H new ATOM 0 HG LEU A 108 57.572 35.225 -21.397 1.00 0.00 H new ATOM 0 HD11 LEU A 108 55.761 34.239 -20.052 1.00 0.00 H new ATOM 0 HD12 LEU A 108 55.480 34.026 -21.796 1.00 0.00 H new ATOM 0 HD13 LEU A 108 56.060 32.659 -20.815 1.00 0.00 H new ATOM 0 HD21 LEU A 108 58.059 34.315 -19.158 1.00 0.00 H new ATOM 0 HD22 LEU A 108 58.448 32.739 -19.888 1.00 0.00 H new ATOM 0 HD23 LEU A 108 59.456 34.161 -20.250 1.00 0.00 H new ATOM 1719 N ALA A 109 56.393 36.139 -23.553 1.00 0.00 N ATOM 1720 CA ALA A 109 55.123 36.854 -23.544 1.00 0.00 C ATOM 1721 C ALA A 109 54.513 36.908 -24.940 1.00 0.00 C ATOM 1722 O ALA A 109 53.473 36.302 -25.198 1.00 0.00 O ATOM 1723 CB ALA A 109 55.313 38.260 -22.994 1.00 0.00 C ATOM 0 H ALA A 109 57.204 36.716 -23.330 1.00 0.00 H new ATOM 0 HA ALA A 109 54.434 36.312 -22.896 1.00 0.00 H new ATOM 0 HB1 ALA A 109 54.356 38.783 -22.993 1.00 0.00 H new ATOM 0 HB2 ALA A 109 55.697 38.203 -21.975 1.00 0.00 H new ATOM 0 HB3 ALA A 109 56.022 38.802 -23.619 1.00 0.00 H new ATOM 1729 N TYR A 110 55.165 37.638 -25.838 1.00 0.00 N ATOM 1730 CA TYR A 110 54.685 37.774 -27.208 1.00 0.00 C ATOM 1731 C TYR A 110 54.872 36.473 -27.982 1.00 0.00 C ATOM 1732 O TYR A 110 55.609 35.584 -27.556 1.00 0.00 O ATOM 1733 CB TYR A 110 55.420 38.912 -27.917 1.00 0.00 C ATOM 1734 CG TYR A 110 56.747 38.499 -28.511 1.00 0.00 C ATOM 1735 CD1 TYR A 110 57.671 37.778 -27.764 1.00 0.00 C ATOM 1736 CD2 TYR A 110 57.079 38.830 -29.819 1.00 0.00 C ATOM 1737 CE1 TYR A 110 58.885 37.399 -28.302 1.00 0.00 C ATOM 1738 CE2 TYR A 110 58.291 38.454 -30.366 1.00 0.00 C ATOM 1739 CZ TYR A 110 59.190 37.739 -29.603 1.00 0.00 C ATOM 1740 OH TYR A 110 60.399 37.363 -30.144 1.00 0.00 O ATOM 0 H TYR A 110 56.028 38.145 -25.642 1.00 0.00 H new ATOM 0 HA TYR A 110 53.620 38.005 -27.172 1.00 0.00 H new ATOM 0 HB2 TYR A 110 54.784 39.306 -28.710 1.00 0.00 H new ATOM 0 HB3 TYR A 110 55.586 39.723 -27.208 1.00 0.00 H new ATOM 0 HD1 TYR A 110 57.435 37.509 -26.745 1.00 0.00 H new ATOM 0 HD2 TYR A 110 56.378 39.391 -30.419 1.00 0.00 H new ATOM 0 HE1 TYR A 110 59.592 36.839 -27.707 1.00 0.00 H new ATOM 0 HE2 TYR A 110 58.533 38.718 -31.385 1.00 0.00 H new ATOM 0 HH TYR A 110 60.456 37.680 -31.070 1.00 0.00 H new ATOM 1750 N ASN A 111 54.199 36.369 -29.123 1.00 0.00 N ATOM 1751 CA ASN A 111 54.290 35.177 -29.958 1.00 0.00 C ATOM 1752 C ASN A 111 53.985 33.920 -29.148 1.00 0.00 C ATOM 1753 O ASN A 111 54.894 33.232 -28.683 1.00 0.00 O ATOM 1754 CB ASN A 111 55.683 35.070 -30.581 1.00 0.00 C ATOM 1755 CG ASN A 111 55.759 35.730 -31.944 1.00 0.00 C ATOM 1756 OD1 ASN A 111 55.099 35.132 -32.929 1.00 0.00 O flip ATOM 1757 ND2 ASN A 111 56.404 36.766 -32.110 1.00 0.00 N flip ATOM 0 H ASN A 111 53.585 37.096 -29.491 1.00 0.00 H new ATOM 0 HA ASN A 111 53.549 35.264 -30.753 1.00 0.00 H new ATOM 0 HB2 ASN A 111 56.412 35.532 -29.915 1.00 0.00 H new ATOM 0 HB3 ASN A 111 55.957 34.019 -30.673 1.00 0.00 H new ATOM 0 HD21 ASN A 111 56.896 37.192 -31.325 1.00 0.00 H new ATOM 0 HD22 ASN A 111 56.446 37.198 -33.033 1.00 0.00 H new ATOM 1764 N THR A 112 52.699 33.627 -28.983 1.00 0.00 N ATOM 1765 CA THR A 112 52.273 32.454 -28.230 1.00 0.00 C ATOM 1766 C THR A 112 51.268 31.626 -29.022 1.00 0.00 C ATOM 1767 O THR A 112 50.077 31.939 -29.053 1.00 0.00 O ATOM 1768 CB THR A 112 51.644 32.851 -26.881 1.00 0.00 C ATOM 1769 OG1 THR A 112 50.778 33.977 -27.057 1.00 0.00 O ATOM 1770 CG2 THR A 112 52.721 33.188 -25.860 1.00 0.00 C ATOM 0 H THR A 112 51.934 34.186 -29.361 1.00 0.00 H new ATOM 0 HA THR A 112 53.166 31.856 -28.045 1.00 0.00 H new ATOM 0 HB THR A 112 51.067 32.004 -26.511 1.00 0.00 H new ATOM 0 HG1 THR A 112 50.172 33.809 -27.809 1.00 0.00 H new ATOM 0 HG21 THR A 112 52.253 33.465 -24.915 1.00 0.00 H new ATOM 0 HG22 THR A 112 53.361 32.319 -25.706 1.00 0.00 H new ATOM 0 HG23 THR A 112 53.321 34.021 -26.226 1.00 0.00 H new ATOM 1778 N THR A 113 51.753 30.567 -29.662 1.00 0.00 N ATOM 1779 CA THR A 113 50.897 29.695 -30.455 1.00 0.00 C ATOM 1780 C THR A 113 51.017 28.245 -30.000 1.00 0.00 C ATOM 1781 O THR A 113 50.017 27.537 -29.878 1.00 0.00 O ATOM 1782 CB THR A 113 51.242 29.780 -31.954 1.00 0.00 C ATOM 1783 OG1 THR A 113 51.743 31.085 -32.268 1.00 0.00 O ATOM 1784 CG2 THR A 113 50.019 29.483 -32.808 1.00 0.00 C ATOM 0 H THR A 113 52.735 30.293 -29.646 1.00 0.00 H new ATOM 0 HA THR A 113 49.873 30.037 -30.305 1.00 0.00 H new ATOM 0 HB THR A 113 52.007 29.035 -32.171 1.00 0.00 H new ATOM 0 HG1 THR A 113 51.962 31.131 -33.222 1.00 0.00 H new ATOM 0 HG21 THR A 113 50.287 29.549 -33.863 1.00 0.00 H new ATOM 0 HG22 THR A 113 49.657 28.479 -32.588 1.00 0.00 H new ATOM 0 HG23 THR A 113 49.236 30.208 -32.587 1.00 0.00 H new ATOM 1792 N SER A 114 52.247 27.808 -29.749 1.00 0.00 N ATOM 1793 CA SER A 114 52.498 26.441 -29.310 1.00 0.00 C ATOM 1794 C SER A 114 51.734 26.134 -28.026 1.00 0.00 C ATOM 1795 O SER A 114 51.398 27.036 -27.258 1.00 0.00 O ATOM 1796 CB SER A 114 53.996 26.220 -29.090 1.00 0.00 C ATOM 1797 OG SER A 114 54.598 25.636 -30.233 1.00 0.00 O ATOM 0 H SER A 114 53.085 28.381 -29.842 1.00 0.00 H new ATOM 0 HA SER A 114 52.149 25.765 -30.091 1.00 0.00 H new ATOM 0 HB2 SER A 114 54.478 27.172 -28.867 1.00 0.00 H new ATOM 0 HB3 SER A 114 54.149 25.575 -28.225 1.00 0.00 H new ATOM 0 HG SER A 114 55.555 25.506 -30.068 1.00 0.00 H new ATOM 1803 N HIS A 115 51.462 24.852 -27.798 1.00 0.00 N ATOM 1804 CA HIS A 115 50.738 24.424 -26.606 1.00 0.00 C ATOM 1805 C HIS A 115 51.452 24.889 -25.341 1.00 0.00 C ATOM 1806 O HIS A 115 52.653 25.163 -25.356 1.00 0.00 O ATOM 1807 CB HIS A 115 50.590 22.903 -26.593 1.00 0.00 C ATOM 1808 CG HIS A 115 51.895 22.175 -26.487 1.00 0.00 C ATOM 1809 ND1 HIS A 115 52.464 21.822 -25.281 1.00 0.00 N ATOM 1810 CD2 HIS A 115 52.742 21.731 -27.445 1.00 0.00 C ATOM 1811 CE1 HIS A 115 53.605 21.195 -25.502 1.00 0.00 C ATOM 1812 NE2 HIS A 115 53.797 21.126 -26.807 1.00 0.00 N ATOM 0 H HIS A 115 51.732 24.092 -28.423 1.00 0.00 H new ATOM 0 HA HIS A 115 49.747 24.877 -26.630 1.00 0.00 H new ATOM 0 HB2 HIS A 115 49.954 22.615 -25.756 1.00 0.00 H new ATOM 0 HB3 HIS A 115 50.081 22.588 -27.504 1.00 0.00 H new ATOM 0 HD2 HIS A 115 52.612 21.833 -28.512 1.00 0.00 H new ATOM 0 HE1 HIS A 115 54.268 20.805 -24.744 1.00 0.00 H new ATOM 0 HE2 HIS A 115 54.599 20.694 -27.266 1.00 0.00 H new ATOM 1820 N THR A 116 50.705 24.977 -24.244 1.00 0.00 N ATOM 1821 CA THR A 116 51.266 25.410 -22.970 1.00 0.00 C ATOM 1822 C THR A 116 50.427 24.908 -21.801 1.00 0.00 C ATOM 1823 O THR A 116 49.379 25.474 -21.488 1.00 0.00 O ATOM 1824 CB THR A 116 51.365 26.946 -22.894 1.00 0.00 C ATOM 1825 OG1 THR A 116 50.434 27.543 -23.802 1.00 0.00 O ATOM 1826 CG2 THR A 116 52.775 27.414 -23.224 1.00 0.00 C ATOM 0 H THR A 116 49.710 24.754 -24.213 1.00 0.00 H new ATOM 0 HA THR A 116 52.267 24.984 -22.904 1.00 0.00 H new ATOM 0 HB THR A 116 51.126 27.253 -21.876 1.00 0.00 H new ATOM 0 HG1 THR A 116 50.502 28.519 -23.746 1.00 0.00 H new ATOM 0 HG21 THR A 116 52.821 28.501 -23.164 1.00 0.00 H new ATOM 0 HG22 THR A 116 53.478 26.981 -22.512 1.00 0.00 H new ATOM 0 HG23 THR A 116 53.038 27.095 -24.233 1.00 0.00 H new ATOM 1834 N ASP A 117 50.894 23.843 -21.159 1.00 0.00 N ATOM 1835 CA ASP A 117 50.186 23.265 -20.022 1.00 0.00 C ATOM 1836 C ASP A 117 51.062 22.248 -19.297 1.00 0.00 C ATOM 1837 O ASP A 117 50.672 21.094 -19.122 1.00 0.00 O ATOM 1838 CB ASP A 117 48.888 22.602 -20.485 1.00 0.00 C ATOM 1839 CG ASP A 117 49.036 21.917 -21.829 1.00 0.00 C ATOM 1840 OD1 ASP A 117 48.955 22.615 -22.862 1.00 0.00 O ATOM 1841 OD2 ASP A 117 49.232 20.685 -21.848 1.00 0.00 O ATOM 0 H ASP A 117 51.759 23.362 -21.406 1.00 0.00 H new ATOM 0 HA ASP A 117 49.945 24.070 -19.328 1.00 0.00 H new ATOM 0 HB2 ASP A 117 48.571 21.871 -19.741 1.00 0.00 H new ATOM 0 HB3 ASP A 117 48.102 23.354 -20.548 1.00 0.00 H new ATOM 1846 N GLN A 118 52.247 22.683 -18.881 1.00 0.00 N ATOM 1847 CA GLN A 118 53.178 21.809 -18.178 1.00 0.00 C ATOM 1848 C GLN A 118 53.078 22.008 -16.669 1.00 0.00 C ATOM 1849 O GLN A 118 53.403 23.076 -16.151 1.00 0.00 O ATOM 1850 CB GLN A 118 54.610 22.073 -18.645 1.00 0.00 C ATOM 1851 CG GLN A 118 55.220 20.917 -19.421 1.00 0.00 C ATOM 1852 CD GLN A 118 56.332 20.225 -18.659 1.00 0.00 C ATOM 1853 OE1 GLN A 118 56.279 19.018 -18.421 1.00 0.00 O ATOM 1854 NE2 GLN A 118 57.348 20.987 -18.270 1.00 0.00 N ATOM 0 H GLN A 118 52.585 23.636 -19.019 1.00 0.00 H new ATOM 0 HA GLN A 118 52.913 20.777 -18.408 1.00 0.00 H new ATOM 0 HB2 GLN A 118 54.620 22.965 -19.271 1.00 0.00 H new ATOM 0 HB3 GLN A 118 55.233 22.286 -17.776 1.00 0.00 H new ATOM 0 HG2 GLN A 118 54.441 20.192 -19.658 1.00 0.00 H new ATOM 0 HG3 GLN A 118 55.610 21.287 -20.369 1.00 0.00 H new ATOM 0 HE21 GLN A 118 57.351 21.983 -18.489 1.00 0.00 H new ATOM 0 HE22 GLN A 118 58.125 20.576 -17.753 1.00 0.00 H new ATOM 1863 N SER A 119 52.626 20.972 -15.970 1.00 0.00 N ATOM 1864 CA SER A 119 52.479 21.034 -14.520 1.00 0.00 C ATOM 1865 C SER A 119 53.202 19.870 -13.850 1.00 0.00 C ATOM 1866 O SER A 119 53.809 19.034 -14.520 1.00 0.00 O ATOM 1867 CB SER A 119 50.998 21.019 -14.135 1.00 0.00 C ATOM 1868 OG SER A 119 50.670 22.133 -13.324 1.00 0.00 O ATOM 0 H SER A 119 52.355 20.080 -16.384 1.00 0.00 H new ATOM 0 HA SER A 119 52.928 21.965 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 119 50.385 21.028 -15.036 1.00 0.00 H new ATOM 0 HB3 SER A 119 50.767 20.097 -13.602 1.00 0.00 H new ATOM 0 HG SER A 119 49.718 22.101 -13.093 1.00 0.00 H new ATOM 1874 N SER A 120 53.134 19.824 -12.523 1.00 0.00 N ATOM 1875 CA SER A 120 53.785 18.765 -11.761 1.00 0.00 C ATOM 1876 C SER A 120 55.283 18.733 -12.046 1.00 0.00 C ATOM 1877 O SER A 120 55.795 19.537 -12.825 1.00 0.00 O ATOM 1878 CB SER A 120 53.162 17.409 -12.096 1.00 0.00 C ATOM 1879 OG SER A 120 53.260 16.517 -10.999 1.00 0.00 O ATOM 0 H SER A 120 52.635 20.508 -11.954 1.00 0.00 H new ATOM 0 HA SER A 120 53.638 18.972 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 120 52.115 17.543 -12.367 1.00 0.00 H new ATOM 0 HB3 SER A 120 53.663 16.980 -12.964 1.00 0.00 H new ATOM 0 HG SER A 120 52.853 15.658 -11.238 1.00 0.00 H new ATOM 1885 N ARG A 121 55.981 17.799 -11.408 1.00 0.00 N ATOM 1886 CA ARG A 121 57.421 17.662 -11.592 1.00 0.00 C ATOM 1887 C ARG A 121 58.134 18.978 -11.295 1.00 0.00 C ATOM 1888 O ARG A 121 59.147 19.302 -11.917 1.00 0.00 O ATOM 1889 CB ARG A 121 57.734 17.210 -13.019 1.00 0.00 C ATOM 1890 CG ARG A 121 58.755 16.087 -13.092 1.00 0.00 C ATOM 1891 CD ARG A 121 59.626 16.206 -14.333 1.00 0.00 C ATOM 1892 NE ARG A 121 60.873 16.916 -14.061 1.00 0.00 N ATOM 1893 CZ ARG A 121 61.935 16.349 -13.501 1.00 0.00 C ATOM 1894 NH1 ARG A 121 61.902 15.069 -13.155 1.00 0.00 N ATOM 1895 NH2 ARG A 121 63.033 17.061 -13.286 1.00 0.00 N ATOM 0 H ARG A 121 55.573 17.126 -10.759 1.00 0.00 H new ATOM 0 HA ARG A 121 57.781 16.907 -10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 121 56.811 16.882 -13.498 1.00 0.00 H new ATOM 0 HB3 ARG A 121 58.103 18.063 -13.588 1.00 0.00 H new ATOM 0 HG2 ARG A 121 59.384 16.107 -12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 121 58.241 15.126 -13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 121 59.852 15.210 -14.714 1.00 0.00 H new ATOM 0 HD3 ARG A 121 59.074 16.729 -15.114 1.00 0.00 H new ATOM 0 HE ARG A 121 60.931 17.902 -14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 121 61.059 14.518 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 121 62.719 14.636 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 121 63.062 18.046 -13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 121 63.848 16.624 -12.856 1.00 0.00 H new ATOM 1909 N LEU A 122 57.599 19.733 -10.342 1.00 0.00 N ATOM 1910 CA LEU A 122 58.183 21.015 -9.962 1.00 0.00 C ATOM 1911 C LEU A 122 59.176 20.842 -8.818 1.00 0.00 C ATOM 1912 O LEU A 122 58.785 20.644 -7.668 1.00 0.00 O ATOM 1913 CB LEU A 122 57.085 21.998 -9.556 1.00 0.00 C ATOM 1914 CG LEU A 122 56.146 22.455 -10.673 1.00 0.00 C ATOM 1915 CD1 LEU A 122 54.716 22.029 -10.377 1.00 0.00 C ATOM 1916 CD2 LEU A 122 56.228 23.964 -10.855 1.00 0.00 C ATOM 0 H LEU A 122 56.761 19.480 -9.818 1.00 0.00 H new ATOM 0 HA LEU A 122 58.717 21.414 -10.825 1.00 0.00 H new ATOM 0 HB2 LEU A 122 56.486 21.538 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 122 57.557 22.880 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 122 56.460 21.979 -11.602 1.00 0.00 H new ATOM 0 HD11 LEU A 122 54.063 22.363 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.669 20.943 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 122 54.390 22.475 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.553 24.271 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 122 55.941 24.459 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 122 57.249 24.244 -11.114 1.00 0.00 H new ATOM 1928 N SER A 123 60.463 20.922 -9.141 1.00 0.00 N ATOM 1929 CA SER A 123 61.513 20.773 -8.139 1.00 0.00 C ATOM 1930 C SER A 123 61.572 21.995 -7.228 1.00 0.00 C ATOM 1931 O SER A 123 60.840 22.966 -7.424 1.00 0.00 O ATOM 1932 CB SER A 123 62.868 20.563 -8.818 1.00 0.00 C ATOM 1933 OG SER A 123 63.680 19.674 -8.071 1.00 0.00 O ATOM 0 H SER A 123 60.804 21.089 -10.088 1.00 0.00 H new ATOM 0 HA SER A 123 61.280 19.899 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 123 62.718 20.167 -9.822 1.00 0.00 H new ATOM 0 HB3 SER A 123 63.376 21.521 -8.926 1.00 0.00 H new ATOM 0 HG SER A 123 64.540 19.555 -8.526 1.00 0.00 H new ATOM 1939 N VAL A 124 62.448 21.940 -6.230 1.00 0.00 N ATOM 1940 CA VAL A 124 62.605 23.042 -5.288 1.00 0.00 C ATOM 1941 C VAL A 124 61.263 23.445 -4.687 1.00 0.00 C ATOM 1942 O VAL A 124 60.677 24.458 -5.070 1.00 0.00 O ATOM 1943 CB VAL A 124 63.243 24.270 -5.963 1.00 0.00 C ATOM 1944 CG1 VAL A 124 63.493 25.370 -4.942 1.00 0.00 C ATOM 1945 CG2 VAL A 124 64.534 23.881 -6.666 1.00 0.00 C ATOM 0 H VAL A 124 63.060 21.144 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 124 63.264 22.690 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 124 62.550 24.652 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 124 63.944 26.230 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 124 62.547 25.667 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 124 64.167 25.002 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 124 64.971 24.761 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 124 65.236 23.473 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 124 64.322 23.130 -7.427 1.00 0.00 H new ATOM 1955 N LYS A 125 60.781 22.646 -3.740 1.00 0.00 N ATOM 1956 CA LYS A 125 59.509 22.920 -3.083 1.00 0.00 C ATOM 1957 C LYS A 125 59.512 24.306 -2.446 1.00 0.00 C ATOM 1958 O LYS A 125 60.424 24.651 -1.696 1.00 0.00 O ATOM 1959 CB LYS A 125 59.223 21.859 -2.018 1.00 0.00 C ATOM 1960 CG LYS A 125 57.877 21.176 -2.185 1.00 0.00 C ATOM 1961 CD LYS A 125 56.730 22.117 -1.858 1.00 0.00 C ATOM 1962 CE LYS A 125 55.786 22.278 -3.040 1.00 0.00 C ATOM 1963 NZ LYS A 125 54.411 22.647 -2.605 1.00 0.00 N ATOM 0 H LYS A 125 61.253 21.804 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 125 58.725 22.889 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 125 60.010 21.105 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 125 59.265 22.324 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 125 57.774 20.818 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 125 57.828 20.302 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 125 56.178 21.735 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 125 57.127 23.091 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 125 56.172 23.045 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 125 55.750 21.347 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 53.798 22.747 -3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 54.032 21.904 -1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 54.441 23.548 -2.087 1.00 0.00 H new ATOM 1977 N GLU A 126 58.486 25.095 -2.751 1.00 0.00 N ATOM 1978 CA GLU A 126 58.372 26.443 -2.207 1.00 0.00 C ATOM 1979 C GLU A 126 57.782 26.414 -0.800 1.00 0.00 C ATOM 1980 O GLU A 126 58.452 26.764 0.172 1.00 0.00 O ATOM 1981 CB GLU A 126 57.502 27.312 -3.118 1.00 0.00 C ATOM 1982 CG GLU A 126 57.988 27.361 -4.557 1.00 0.00 C ATOM 1983 CD GLU A 126 56.933 26.900 -5.544 1.00 0.00 C ATOM 1984 OE1 GLU A 126 56.630 25.688 -5.566 1.00 0.00 O ATOM 1985 OE2 GLU A 126 56.410 27.750 -6.295 1.00 0.00 O ATOM 0 H GLU A 126 57.723 24.824 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 126 59.373 26.872 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 126 56.480 26.932 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 126 57.472 28.326 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 126 58.288 28.380 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 126 58.874 26.735 -4.659 1.00 0.00 H new ATOM 1992 N ASP A 127 56.526 25.994 -0.700 1.00 0.00 N ATOM 1993 CA ASP A 127 55.846 25.918 0.588 1.00 0.00 C ATOM 1994 C ASP A 127 56.289 24.683 1.365 1.00 0.00 C ATOM 1995 O ASP A 127 56.823 23.725 0.805 1.00 0.00 O ATOM 1996 CB ASP A 127 54.330 25.893 0.387 1.00 0.00 C ATOM 1997 CG ASP A 127 53.730 27.285 0.330 1.00 0.00 C ATOM 1998 OD1 ASP A 127 53.879 28.035 1.316 1.00 0.00 O ATOM 1999 OD2 ASP A 127 53.111 27.622 -0.701 1.00 0.00 O ATOM 0 H ASP A 127 55.958 25.701 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 127 56.114 26.803 1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 127 54.098 25.362 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 127 53.868 25.334 1.201 1.00 0.00 H new ATOM 2004 N PRO A 128 56.063 24.702 2.687 1.00 0.00 N ATOM 2005 CA PRO A 128 56.432 23.591 3.569 1.00 0.00 C ATOM 2006 C PRO A 128 55.566 22.358 3.341 1.00 0.00 C ATOM 2007 O PRO A 128 56.071 21.284 3.013 1.00 0.00 O ATOM 2008 CB PRO A 128 56.196 24.159 4.971 1.00 0.00 C ATOM 2009 CG PRO A 128 55.171 25.223 4.782 1.00 0.00 C ATOM 2010 CD PRO A 128 55.431 25.810 3.422 1.00 0.00 C ATOM 0 HA PRO A 128 57.455 23.255 3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 128 55.844 23.388 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 128 57.115 24.565 5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 128 54.164 24.810 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 128 55.251 25.985 5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 128 54.508 26.136 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 128 56.085 26.680 3.478 1.00 0.00 H new TER 2018 PRO A 128