USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 932 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 17 MET CE :methyl -126:sc= -0.735 (180deg=-1.88!) USER MOD Set 1.2: A 113 HIS : no HD1:sc= -0.732 K(o=-1.5,f=-2.3) USER MOD Set 2.1: A 37 TYR OH : rot 38:sc= 0.239 USER MOD Set 2.2: A 49 HIS : no HE2:sc= 0.0743 K(o=-0.89,f=-2.9) USER MOD Set 2.3: A 77 HIS : no HD1:sc= 0.069 K(o=-0.89,f=-2.2) USER MOD Set 2.4: A 78 MET CE :methyl -170:sc= -0.931 (180deg=-1.31) USER MOD Set 2.5: A 81 MET CE :methyl 178:sc= -0.346 (180deg=-0.391) USER MOD Set 3.1: A 33 TYR OH : rot -151:sc= 0.291 USER MOD Set 3.2: A 54 GLN : amide:sc= -0.486 K(o=-0.2,f=-0.78!) USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 1.05 USER MOD Set 4.2: A 93 LYS NZ :NH3+ -171:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 25 THR OG1 : rot -12:sc= 0.24 USER MOD Set 5.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 98 MET CE :methyl 157:sc= -0.175 (180deg=-1.13) USER MOD Set 6.1: A 6 GLN : amide:sc= 0.565 K(o=1.2,f=-2.2!) USER MOD Set 6.2: A 23 THR OG1 : rot -42:sc= 0.641 USER MOD Set 7.1: A 12 SER OG : rot 120:sc= 0.0349 USER MOD Set 7.2: A 18 LYS NZ :NH3+ 157:sc= -1.17 (180deg=-2.88!) USER MOD Set 8.1: A 10 ASN :FLIP amide:sc= -0.0835 F(o=-0.84,f=0.51) USER MOD Set 8.2: A 11 THR OG1 : rot 64:sc= 0.487 USER MOD Set 8.3: A 122 SER OG : rot 180:sc= 0.106 USER MOD Set 9.1: A 1 MET N :NH3+ -159:sc= 0.822 (180deg=-0.0887) USER MOD Set 9.2: A 97 TYR OH : rot 120:sc= 0.732 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.01) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc=-0.000974 (180deg=-0.0826) USER MOD Single : A 5 SER OG : rot -170:sc= -0.115 USER MOD Single : A 13 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.3) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 172:sc= 0.196 USER MOD Single : A 36 SER OG : rot 136:sc= 0.209 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.743 K(o=-0.74,f=-2.6!) USER MOD Single : A 44 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.94 (180deg=-1.89!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00884 X(o=-0.0088,f=-0.31) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 32:sc= 0.211 USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0161) USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= 0.921 (180deg=0.197) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 130:sc= -0.0647 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.136) USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0943) USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -71:sc= 0.0417 USER MOD Single : A 124 LYS NZ :NH3+ -166:sc= 0.66 (180deg=0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.294 15.753 -2.251 1.00 62.43 N ATOM 2 CA MET A 1 -4.248 15.754 -3.740 1.00 2.12 C ATOM 3 C MET A 1 -5.655 15.457 -4.312 1.00 52.20 C ATOM 4 O MET A 1 -6.447 14.742 -3.681 1.00 23.20 O ATOM 5 CB MET A 1 -3.227 14.699 -4.259 1.00 23.41 C ATOM 6 CG MET A 1 -1.853 14.734 -3.571 1.00 13.41 C ATOM 7 SD MET A 1 -1.093 16.372 -3.620 1.00 54.14 S ATOM 8 CE MET A 1 0.470 16.088 -2.779 1.00 13.51 C ATOM 0 H1 MET A 1 -3.481 16.284 -1.878 1.00 62.43 H new ATOM 0 H2 MET A 1 -5.176 16.201 -1.931 1.00 62.43 H new ATOM 0 H3 MET A 1 -4.257 14.774 -1.903 1.00 62.43 H new ATOM 0 HA MET A 1 -3.926 16.740 -4.076 1.00 2.12 H new ATOM 0 HB2 MET A 1 -3.656 13.705 -4.130 1.00 23.41 H new ATOM 0 HB3 MET A 1 -3.085 14.848 -5.329 1.00 23.41 H new ATOM 0 HG2 MET A 1 -1.962 14.419 -2.533 1.00 13.41 H new ATOM 0 HG3 MET A 1 -1.191 14.016 -4.054 1.00 13.41 H new ATOM 0 HE1 MET A 1 0.997 17.035 -2.662 1.00 13.51 H new ATOM 0 HE2 MET A 1 0.281 15.654 -1.797 1.00 13.51 H new ATOM 0 HE3 MET A 1 1.081 15.403 -3.367 1.00 13.51 H new ATOM 20 N LYS A 2 -5.959 16.010 -5.501 1.00 30.05 N ATOM 21 CA LYS A 2 -7.251 15.788 -6.199 1.00 1.21 C ATOM 22 C LYS A 2 -7.105 14.742 -7.326 1.00 72.43 C ATOM 23 O LYS A 2 -6.008 14.535 -7.852 1.00 2.35 O ATOM 24 CB LYS A 2 -7.777 17.131 -6.778 1.00 31.04 C ATOM 25 CG LYS A 2 -8.142 18.188 -5.709 1.00 60.22 C ATOM 26 CD LYS A 2 -8.626 19.519 -6.330 1.00 62.13 C ATOM 27 CE LYS A 2 -9.138 20.522 -5.280 1.00 65.34 C ATOM 28 NZ LYS A 2 -10.358 20.036 -4.576 1.00 54.21 N ATOM 0 H LYS A 2 -5.321 16.623 -6.009 1.00 30.05 H new ATOM 0 HA LYS A 2 -7.968 15.403 -5.474 1.00 1.21 H new ATOM 0 HB2 LYS A 2 -7.019 17.549 -7.441 1.00 31.04 H new ATOM 0 HB3 LYS A 2 -8.658 16.930 -7.388 1.00 31.04 H new ATOM 0 HG2 LYS A 2 -8.922 17.789 -5.060 1.00 60.22 H new ATOM 0 HG3 LYS A 2 -7.272 18.380 -5.081 1.00 60.22 H new ATOM 0 HD2 LYS A 2 -7.807 19.972 -6.888 1.00 62.13 H new ATOM 0 HD3 LYS A 2 -9.422 19.312 -7.045 1.00 62.13 H new ATOM 0 HE2 LYS A 2 -8.352 20.712 -4.549 1.00 65.34 H new ATOM 0 HE3 LYS A 2 -9.357 21.473 -5.766 1.00 65.34 H new ATOM 0 HZ1 LYS A 2 -10.761 20.807 -4.006 1.00 54.21 H new ATOM 0 HZ2 LYS A 2 -11.060 19.720 -5.275 1.00 54.21 H new ATOM 0 HZ3 LYS A 2 -10.107 19.241 -3.954 1.00 54.21 H new ATOM 42 N VAL A 3 -8.216 14.058 -7.673 1.00 24.44 N ATOM 43 CA VAL A 3 -8.247 13.134 -8.828 1.00 54.12 C ATOM 44 C VAL A 3 -8.116 13.926 -10.159 1.00 62.00 C ATOM 45 O VAL A 3 -8.913 14.822 -10.448 1.00 32.11 O ATOM 46 CB VAL A 3 -9.546 12.237 -8.836 1.00 24.14 C ATOM 47 CG1 VAL A 3 -9.524 11.211 -10.006 1.00 43.04 C ATOM 48 CG2 VAL A 3 -9.736 11.521 -7.471 1.00 1.42 C ATOM 0 H VAL A 3 -9.101 14.128 -7.172 1.00 24.44 H new ATOM 0 HA VAL A 3 -7.394 12.462 -8.732 1.00 54.12 H new ATOM 0 HB VAL A 3 -10.400 12.896 -8.994 1.00 24.14 H new ATOM 0 HG11 VAL A 3 -10.433 10.611 -9.981 1.00 43.04 H new ATOM 0 HG12 VAL A 3 -9.467 11.743 -10.956 1.00 43.04 H new ATOM 0 HG13 VAL A 3 -8.656 10.560 -9.902 1.00 43.04 H new ATOM 0 HG21 VAL A 3 -10.638 10.910 -7.503 1.00 1.42 H new ATOM 0 HG22 VAL A 3 -8.874 10.885 -7.270 1.00 1.42 H new ATOM 0 HG23 VAL A 3 -9.830 12.265 -6.680 1.00 1.42 H new ATOM 58 N GLY A 4 -7.091 13.570 -10.944 1.00 42.20 N ATOM 59 CA GLY A 4 -6.725 14.282 -12.173 1.00 13.22 C ATOM 60 C GLY A 4 -5.458 15.134 -12.009 1.00 41.02 C ATOM 61 O GLY A 4 -4.945 15.675 -12.994 1.00 32.33 O ATOM 0 H GLY A 4 -6.488 12.773 -10.741 1.00 42.20 H new ATOM 0 HA2 GLY A 4 -6.571 13.559 -12.974 1.00 13.22 H new ATOM 0 HA3 GLY A 4 -7.552 14.923 -12.477 1.00 13.22 H new ATOM 65 N SER A 5 -4.951 15.252 -10.759 1.00 71.23 N ATOM 66 CA SER A 5 -3.732 16.046 -10.440 1.00 64.32 C ATOM 67 C SER A 5 -2.426 15.271 -10.750 1.00 22.22 C ATOM 68 O SER A 5 -2.383 14.041 -10.697 1.00 52.35 O ATOM 69 CB SER A 5 -3.724 16.472 -8.942 1.00 1.03 C ATOM 70 OG SER A 5 -4.872 17.241 -8.600 1.00 42.02 O ATOM 0 H SER A 5 -5.370 14.803 -9.944 1.00 71.23 H new ATOM 0 HA SER A 5 -3.766 16.930 -11.077 1.00 64.32 H new ATOM 0 HB2 SER A 5 -3.682 15.583 -8.313 1.00 1.03 H new ATOM 0 HB3 SER A 5 -2.824 17.052 -8.735 1.00 1.03 H new ATOM 0 HG SER A 5 -4.756 17.620 -7.704 1.00 42.02 H new ATOM 76 N GLN A 6 -1.367 16.033 -11.074 1.00 53.22 N ATOM 77 CA GLN A 6 0.013 15.521 -11.212 1.00 22.15 C ATOM 78 C GLN A 6 0.751 15.684 -9.864 1.00 73.41 C ATOM 79 O GLN A 6 0.615 16.722 -9.199 1.00 31.03 O ATOM 80 CB GLN A 6 0.773 16.297 -12.334 1.00 72.34 C ATOM 81 CG GLN A 6 0.244 16.071 -13.774 1.00 53.35 C ATOM 82 CD GLN A 6 0.672 14.740 -14.410 1.00 34.13 C ATOM 83 OE1 GLN A 6 0.888 13.743 -13.737 1.00 14.20 O ATOM 84 NE2 GLN A 6 0.799 14.717 -15.724 1.00 2.33 N ATOM 0 H GLN A 6 -1.443 17.035 -11.250 1.00 53.22 H new ATOM 0 HA GLN A 6 -0.021 14.467 -11.487 1.00 22.15 H new ATOM 0 HB2 GLN A 6 0.726 17.363 -12.111 1.00 72.34 H new ATOM 0 HB3 GLN A 6 1.824 16.011 -12.302 1.00 72.34 H new ATOM 0 HG2 GLN A 6 -0.845 16.118 -13.759 1.00 53.35 H new ATOM 0 HG3 GLN A 6 0.589 16.889 -14.407 1.00 53.35 H new ATOM 0 HE21 GLN A 6 0.614 15.559 -16.269 1.00 2.33 H new ATOM 0 HE22 GLN A 6 1.082 13.857 -16.194 1.00 2.33 H new ATOM 93 N VAL A 7 1.509 14.654 -9.454 1.00 51.41 N ATOM 94 CA VAL A 7 2.344 14.683 -8.227 1.00 53.32 C ATOM 95 C VAL A 7 3.691 13.964 -8.477 1.00 1.21 C ATOM 96 O VAL A 7 3.791 13.098 -9.337 1.00 41.14 O ATOM 97 CB VAL A 7 1.616 14.028 -6.979 1.00 51.00 C ATOM 98 CG1 VAL A 7 0.413 14.881 -6.509 1.00 63.44 C ATOM 99 CG2 VAL A 7 1.183 12.570 -7.271 1.00 52.14 C ATOM 0 H VAL A 7 1.565 13.771 -9.962 1.00 51.41 H new ATOM 0 HA VAL A 7 2.520 15.732 -7.991 1.00 53.32 H new ATOM 0 HB VAL A 7 2.341 14.001 -6.165 1.00 51.00 H new ATOM 0 HG11 VAL A 7 -0.061 14.401 -5.653 1.00 63.44 H new ATOM 0 HG12 VAL A 7 0.761 15.874 -6.222 1.00 63.44 H new ATOM 0 HG13 VAL A 7 -0.309 14.970 -7.321 1.00 63.44 H new ATOM 0 HG21 VAL A 7 0.688 12.155 -6.393 1.00 52.14 H new ATOM 0 HG22 VAL A 7 0.494 12.557 -8.116 1.00 52.14 H new ATOM 0 HG23 VAL A 7 2.061 11.970 -7.510 1.00 52.14 H new ATOM 109 N ILE A 8 4.726 14.355 -7.722 1.00 71.10 N ATOM 110 CA ILE A 8 6.064 13.717 -7.759 1.00 62.53 C ATOM 111 C ILE A 8 6.262 12.833 -6.495 1.00 72.50 C ATOM 112 O ILE A 8 6.208 13.336 -5.374 1.00 54.11 O ATOM 113 CB ILE A 8 7.208 14.805 -7.834 1.00 24.53 C ATOM 114 CG1 ILE A 8 6.941 15.826 -8.997 1.00 44.45 C ATOM 115 CG2 ILE A 8 8.613 14.148 -7.971 1.00 30.34 C ATOM 116 CD1 ILE A 8 6.958 15.234 -10.399 1.00 70.13 C ATOM 0 H ILE A 8 4.666 15.129 -7.060 1.00 71.10 H new ATOM 0 HA ILE A 8 6.122 13.095 -8.652 1.00 62.53 H new ATOM 0 HB ILE A 8 7.198 15.358 -6.895 1.00 24.53 H new ATOM 0 HG12 ILE A 8 5.972 16.296 -8.831 1.00 44.45 H new ATOM 0 HG13 ILE A 8 7.691 16.615 -8.945 1.00 44.45 H new ATOM 0 HG21 ILE A 8 9.375 14.926 -8.020 1.00 30.34 H new ATOM 0 HG22 ILE A 8 8.801 13.509 -7.108 1.00 30.34 H new ATOM 0 HG23 ILE A 8 8.647 13.549 -8.881 1.00 30.34 H new ATOM 0 HD11 ILE A 8 6.763 16.020 -11.128 1.00 70.13 H new ATOM 0 HD12 ILE A 8 7.934 14.791 -10.595 1.00 70.13 H new ATOM 0 HD13 ILE A 8 6.188 14.466 -10.479 1.00 70.13 H new ATOM 128 N ILE A 9 6.517 11.528 -6.690 1.00 54.23 N ATOM 129 CA ILE A 9 6.639 10.554 -5.576 1.00 31.55 C ATOM 130 C ILE A 9 8.069 10.622 -4.968 1.00 62.31 C ATOM 131 O ILE A 9 9.052 10.391 -5.678 1.00 22.34 O ATOM 132 CB ILE A 9 6.346 9.086 -6.072 1.00 21.10 C ATOM 133 CG1 ILE A 9 5.012 9.012 -6.889 1.00 10.41 C ATOM 134 CG2 ILE A 9 6.339 8.077 -4.891 1.00 60.32 C ATOM 135 CD1 ILE A 9 4.683 7.632 -7.456 1.00 23.24 C ATOM 0 H ILE A 9 6.645 11.115 -7.614 1.00 54.23 H new ATOM 0 HA ILE A 9 5.903 10.815 -4.815 1.00 31.55 H new ATOM 0 HB ILE A 9 7.158 8.803 -6.742 1.00 21.10 H new ATOM 0 HG12 ILE A 9 4.191 9.330 -6.247 1.00 10.41 H new ATOM 0 HG13 ILE A 9 5.067 9.724 -7.713 1.00 10.41 H new ATOM 0 HG21 ILE A 9 6.134 7.076 -5.269 1.00 60.32 H new ATOM 0 HG22 ILE A 9 7.311 8.087 -4.398 1.00 60.32 H new ATOM 0 HG23 ILE A 9 5.567 8.360 -4.176 1.00 60.32 H new ATOM 0 HD11 ILE A 9 3.743 7.679 -8.005 1.00 23.24 H new ATOM 0 HD12 ILE A 9 5.480 7.315 -8.128 1.00 23.24 H new ATOM 0 HD13 ILE A 9 4.591 6.916 -6.640 1.00 23.24 H new ATOM 147 N ASN A 10 8.182 10.939 -3.659 1.00 15.31 N ATOM 148 CA ASN A 10 9.497 11.059 -2.966 1.00 11.44 C ATOM 149 C ASN A 10 9.848 9.749 -2.221 1.00 10.53 C ATOM 150 O ASN A 10 10.907 9.152 -2.455 1.00 33.23 O ATOM 151 CB ASN A 10 9.515 12.290 -2.007 1.00 30.34 C ATOM 152 CG ASN A 10 8.359 12.328 -1.000 1.00 70.35 C ATOM 153 OD1 ASN A 10 8.538 11.735 0.170 1.00 41.22 O flip ATOM 154 ND2 ASN A 10 7.306 12.883 -1.275 1.00 21.25 N flip ATOM 0 H ASN A 10 7.380 11.118 -3.055 1.00 15.31 H new ATOM 0 HA ASN A 10 10.266 11.224 -3.721 1.00 11.44 H new ATOM 0 HB2 ASN A 10 10.457 12.294 -1.459 1.00 30.34 H new ATOM 0 HB3 ASN A 10 9.489 13.201 -2.605 1.00 30.34 H new ATOM 0 HD21 ASN A 10 7.189 13.334 -2.182 1.00 21.25 H new ATOM 0 HD22 ASN A 10 6.544 12.895 -0.597 1.00 21.25 H new ATOM 161 N THR A 11 8.943 9.310 -1.325 1.00 75.02 N ATOM 162 CA THR A 11 9.062 8.023 -0.608 1.00 32.42 C ATOM 163 C THR A 11 8.248 6.975 -1.383 1.00 52.44 C ATOM 164 O THR A 11 7.143 7.269 -1.846 1.00 62.30 O ATOM 165 CB THR A 11 8.536 8.149 0.868 1.00 54.02 C ATOM 166 OG1 THR A 11 9.256 9.181 1.558 1.00 42.35 O ATOM 167 CG2 THR A 11 8.663 6.838 1.662 1.00 30.22 C ATOM 0 H THR A 11 8.107 9.838 -1.077 1.00 75.02 H new ATOM 0 HA THR A 11 10.109 7.725 -0.552 1.00 32.42 H new ATOM 0 HB THR A 11 7.476 8.395 0.801 1.00 54.02 H new ATOM 0 HG1 THR A 11 9.074 10.046 1.135 1.00 42.35 H new ATOM 0 HG21 THR A 11 8.284 6.987 2.673 1.00 30.22 H new ATOM 0 HG22 THR A 11 8.085 6.057 1.169 1.00 30.22 H new ATOM 0 HG23 THR A 11 9.711 6.540 1.707 1.00 30.22 H new ATOM 175 N SER A 12 8.769 5.748 -1.497 1.00 24.34 N ATOM 176 CA SER A 12 8.250 4.775 -2.478 1.00 53.11 C ATOM 177 C SER A 12 8.509 3.312 -2.069 1.00 25.21 C ATOM 178 O SER A 12 9.570 2.977 -1.533 1.00 42.31 O ATOM 179 CB SER A 12 8.890 5.060 -3.859 1.00 73.43 C ATOM 180 OG SER A 12 10.308 4.954 -3.823 1.00 74.22 O ATOM 0 H SER A 12 9.543 5.403 -0.930 1.00 24.34 H new ATOM 0 HA SER A 12 7.168 4.898 -2.522 1.00 53.11 H new ATOM 0 HB2 SER A 12 8.493 4.360 -4.594 1.00 73.43 H new ATOM 0 HB3 SER A 12 8.610 6.060 -4.189 1.00 73.43 H new ATOM 0 HG SER A 12 10.600 4.255 -4.444 1.00 74.22 H new ATOM 186 N HIS A 13 7.508 2.456 -2.342 1.00 4.03 N ATOM 187 CA HIS A 13 7.590 0.992 -2.145 1.00 64.02 C ATOM 188 C HIS A 13 8.456 0.364 -3.267 1.00 1.23 C ATOM 189 O HIS A 13 9.299 -0.502 -3.021 1.00 75.34 O ATOM 190 CB HIS A 13 6.157 0.380 -2.149 1.00 21.11 C ATOM 191 CG HIS A 13 5.179 1.026 -1.182 1.00 62.11 C ATOM 192 ND1 HIS A 13 3.838 0.772 -1.260 1.00 74.20 N ATOM 193 CD2 HIS A 13 5.394 1.901 -0.165 1.00 1.33 C ATOM 194 CE1 HIS A 13 3.278 1.487 -0.303 1.00 21.34 C ATOM 195 NE2 HIS A 13 4.176 2.193 0.387 1.00 54.41 N ATOM 0 H HIS A 13 6.607 2.762 -2.710 1.00 4.03 H new ATOM 0 HA HIS A 13 8.056 0.778 -1.183 1.00 64.02 H new ATOM 0 HB2 HIS A 13 5.750 0.454 -3.157 1.00 21.11 H new ATOM 0 HB3 HIS A 13 6.231 -0.681 -1.912 1.00 21.11 H new ATOM 0 HD2 HIS A 13 6.350 2.294 0.150 1.00 1.33 H new ATOM 0 HE1 HIS A 13 2.217 1.499 -0.102 1.00 21.34 H new ATOM 0 HE2 HIS A 13 3.992 2.823 1.168 1.00 54.41 H new ATOM 203 N MET A 14 8.215 0.827 -4.511 1.00 61.45 N ATOM 204 CA MET A 14 9.034 0.471 -5.693 1.00 51.11 C ATOM 205 C MET A 14 10.097 1.560 -5.964 1.00 22.32 C ATOM 206 O MET A 14 9.814 2.754 -5.847 1.00 4.45 O ATOM 207 CB MET A 14 8.133 0.293 -6.948 1.00 34.31 C ATOM 208 CG MET A 14 7.159 -0.886 -6.854 1.00 64.34 C ATOM 209 SD MET A 14 8.024 -2.462 -6.648 1.00 51.02 S ATOM 210 CE MET A 14 6.666 -3.633 -6.644 1.00 74.32 C ATOM 0 H MET A 14 7.445 1.460 -4.727 1.00 61.45 H new ATOM 0 HA MET A 14 9.539 -0.472 -5.484 1.00 51.11 H new ATOM 0 HB2 MET A 14 7.564 1.209 -7.107 1.00 34.31 H new ATOM 0 HB3 MET A 14 8.769 0.157 -7.823 1.00 34.31 H new ATOM 0 HG2 MET A 14 6.482 -0.731 -6.014 1.00 64.34 H new ATOM 0 HG3 MET A 14 6.546 -0.923 -7.755 1.00 64.34 H new ATOM 0 HE1 MET A 14 7.057 -4.643 -6.524 1.00 74.32 H new ATOM 0 HE2 MET A 14 5.991 -3.405 -5.819 1.00 74.32 H new ATOM 0 HE3 MET A 14 6.123 -3.564 -7.587 1.00 74.32 H new ATOM 220 N LYS A 15 11.315 1.130 -6.345 1.00 62.31 N ATOM 221 CA LYS A 15 12.428 2.038 -6.736 1.00 13.54 C ATOM 222 C LYS A 15 12.050 2.902 -7.973 1.00 42.41 C ATOM 223 O LYS A 15 12.427 4.078 -8.069 1.00 20.22 O ATOM 224 CB LYS A 15 13.704 1.200 -7.033 1.00 25.31 C ATOM 225 CG LYS A 15 14.911 2.006 -7.567 1.00 24.15 C ATOM 226 CD LYS A 15 16.082 1.102 -8.008 1.00 1.15 C ATOM 227 CE LYS A 15 17.220 1.897 -8.661 1.00 71.13 C ATOM 228 NZ LYS A 15 18.314 1.012 -9.128 1.00 54.24 N ATOM 0 H LYS A 15 11.563 0.142 -6.393 1.00 62.31 H new ATOM 0 HA LYS A 15 12.623 2.718 -5.907 1.00 13.54 H new ATOM 0 HB2 LYS A 15 14.005 0.689 -6.118 1.00 25.31 H new ATOM 0 HB3 LYS A 15 13.452 0.429 -7.761 1.00 25.31 H new ATOM 0 HG2 LYS A 15 14.590 2.616 -8.411 1.00 24.15 H new ATOM 0 HG3 LYS A 15 15.257 2.690 -6.792 1.00 24.15 H new ATOM 0 HD2 LYS A 15 16.468 0.564 -7.142 1.00 1.15 H new ATOM 0 HD3 LYS A 15 15.715 0.354 -8.711 1.00 1.15 H new ATOM 0 HE2 LYS A 15 16.828 2.466 -9.504 1.00 71.13 H new ATOM 0 HE3 LYS A 15 17.616 2.618 -7.946 1.00 71.13 H new ATOM 0 HZ1 LYS A 15 19.064 1.587 -9.563 1.00 54.24 H new ATOM 0 HZ2 LYS A 15 18.705 0.487 -8.320 1.00 54.24 H new ATOM 0 HZ3 LYS A 15 17.942 0.340 -9.829 1.00 54.24 H new ATOM 242 N GLY A 16 11.269 2.298 -8.895 1.00 64.51 N ATOM 243 CA GLY A 16 10.771 2.981 -10.102 1.00 5.34 C ATOM 244 C GLY A 16 9.771 4.119 -9.842 1.00 73.13 C ATOM 245 O GLY A 16 9.360 4.810 -10.779 1.00 43.10 O ATOM 0 H GLY A 16 10.969 1.326 -8.821 1.00 64.51 H new ATOM 0 HA2 GLY A 16 11.623 3.385 -10.649 1.00 5.34 H new ATOM 0 HA3 GLY A 16 10.297 2.243 -10.749 1.00 5.34 H new ATOM 249 N MET A 17 9.377 4.320 -8.568 1.00 33.52 N ATOM 250 CA MET A 17 8.468 5.417 -8.172 1.00 65.25 C ATOM 251 C MET A 17 9.241 6.612 -7.584 1.00 52.15 C ATOM 252 O MET A 17 8.741 7.735 -7.631 1.00 52.35 O ATOM 253 CB MET A 17 7.404 4.939 -7.160 1.00 24.21 C ATOM 254 CG MET A 17 6.500 3.824 -7.675 1.00 64.11 C ATOM 255 SD MET A 17 4.970 3.651 -6.740 1.00 52.03 S ATOM 256 CE MET A 17 5.571 3.377 -5.082 1.00 43.24 C ATOM 0 H MET A 17 9.676 3.732 -7.790 1.00 33.52 H new ATOM 0 HA MET A 17 7.963 5.742 -9.081 1.00 65.25 H new ATOM 0 HB2 MET A 17 7.908 4.594 -6.257 1.00 24.21 H new ATOM 0 HB3 MET A 17 6.785 5.789 -6.874 1.00 24.21 H new ATOM 0 HG2 MET A 17 6.258 4.017 -8.720 1.00 64.11 H new ATOM 0 HG3 MET A 17 7.045 2.881 -7.643 1.00 64.11 H new ATOM 0 HE1 MET A 17 5.133 2.462 -4.683 1.00 43.24 H new ATOM 0 HE2 MET A 17 6.657 3.282 -5.100 1.00 43.24 H new ATOM 0 HE3 MET A 17 5.291 4.219 -4.450 1.00 43.24 H new ATOM 266 N LYS A 18 10.447 6.384 -7.019 1.00 22.11 N ATOM 267 CA LYS A 18 11.246 7.487 -6.441 1.00 21.53 C ATOM 268 C LYS A 18 11.752 8.436 -7.565 1.00 31.42 C ATOM 269 O LYS A 18 12.524 8.033 -8.444 1.00 20.41 O ATOM 270 CB LYS A 18 12.421 6.934 -5.593 1.00 14.41 C ATOM 271 CG LYS A 18 13.265 8.025 -4.886 1.00 72.41 C ATOM 272 CD LYS A 18 14.316 7.466 -3.887 1.00 34.42 C ATOM 273 CE LYS A 18 13.711 6.981 -2.546 1.00 3.34 C ATOM 274 NZ LYS A 18 12.815 5.799 -2.682 1.00 32.25 N ATOM 0 H LYS A 18 10.882 5.464 -6.951 1.00 22.11 H new ATOM 0 HA LYS A 18 10.607 8.066 -5.774 1.00 21.53 H new ATOM 0 HB2 LYS A 18 12.022 6.255 -4.840 1.00 14.41 H new ATOM 0 HB3 LYS A 18 13.074 6.347 -6.238 1.00 14.41 H new ATOM 0 HG2 LYS A 18 13.778 8.619 -5.642 1.00 72.41 H new ATOM 0 HG3 LYS A 18 12.595 8.699 -4.352 1.00 72.41 H new ATOM 0 HD2 LYS A 18 14.844 6.637 -4.357 1.00 34.42 H new ATOM 0 HD3 LYS A 18 15.056 8.240 -3.682 1.00 34.42 H new ATOM 0 HE2 LYS A 18 14.522 6.733 -1.861 1.00 3.34 H new ATOM 0 HE3 LYS A 18 13.151 7.800 -2.094 1.00 3.34 H new ATOM 0 HZ1 LYS A 18 12.761 5.298 -1.772 1.00 32.25 H new ATOM 0 HZ2 LYS A 18 11.864 6.114 -2.961 1.00 32.25 H new ATOM 0 HZ3 LYS A 18 13.194 5.158 -3.408 1.00 32.25 H new ATOM 288 N GLY A 19 11.292 9.699 -7.504 1.00 44.13 N ATOM 289 CA GLY A 19 11.569 10.701 -8.544 1.00 21.41 C ATOM 290 C GLY A 19 10.604 10.630 -9.746 1.00 4.24 C ATOM 291 O GLY A 19 10.753 11.397 -10.707 1.00 31.31 O ATOM 0 H GLY A 19 10.721 10.050 -6.735 1.00 44.13 H new ATOM 0 HA2 GLY A 19 11.512 11.696 -8.102 1.00 21.41 H new ATOM 0 HA3 GLY A 19 12.590 10.569 -8.901 1.00 21.41 H new ATOM 295 N ALA A 20 9.614 9.712 -9.695 1.00 42.12 N ATOM 296 CA ALA A 20 8.626 9.522 -10.784 1.00 12.21 C ATOM 297 C ALA A 20 7.455 10.517 -10.674 1.00 12.41 C ATOM 298 O ALA A 20 7.055 10.914 -9.575 1.00 31.33 O ATOM 299 CB ALA A 20 8.090 8.078 -10.801 1.00 1.40 C ATOM 0 H ALA A 20 9.476 9.084 -8.903 1.00 42.12 H new ATOM 0 HA ALA A 20 9.147 9.715 -11.722 1.00 12.21 H new ATOM 0 HB1 ALA A 20 7.367 7.968 -11.610 1.00 1.40 H new ATOM 0 HB2 ALA A 20 8.917 7.385 -10.956 1.00 1.40 H new ATOM 0 HB3 ALA A 20 7.606 7.858 -9.849 1.00 1.40 H new ATOM 305 N GLU A 21 6.908 10.898 -11.836 1.00 43.25 N ATOM 306 CA GLU A 21 5.737 11.780 -11.934 1.00 11.30 C ATOM 307 C GLU A 21 4.452 10.926 -12.068 1.00 24.35 C ATOM 308 O GLU A 21 4.193 10.330 -13.121 1.00 71.02 O ATOM 309 CB GLU A 21 5.897 12.734 -13.143 1.00 32.10 C ATOM 310 CG GLU A 21 4.741 13.736 -13.341 1.00 45.13 C ATOM 311 CD GLU A 21 4.942 14.622 -14.579 1.00 42.51 C ATOM 312 OE1 GLU A 21 4.737 14.129 -15.714 1.00 45.54 O ATOM 313 OE2 GLU A 21 5.342 15.797 -14.436 1.00 1.32 O ATOM 0 H GLU A 21 7.269 10.600 -12.742 1.00 43.25 H new ATOM 0 HA GLU A 21 5.657 12.384 -11.030 1.00 11.30 H new ATOM 0 HB2 GLU A 21 6.826 13.293 -13.025 1.00 32.10 H new ATOM 0 HB3 GLU A 21 5.998 12.135 -14.048 1.00 32.10 H new ATOM 0 HG2 GLU A 21 3.802 13.190 -13.436 1.00 45.13 H new ATOM 0 HG3 GLU A 21 4.654 14.367 -12.456 1.00 45.13 H new ATOM 320 N ALA A 22 3.692 10.833 -10.969 1.00 2.01 N ATOM 321 CA ALA A 22 2.418 10.092 -10.912 1.00 42.52 C ATOM 322 C ALA A 22 1.205 10.987 -11.263 1.00 64.22 C ATOM 323 O ALA A 22 1.274 12.215 -11.201 1.00 4.35 O ATOM 324 CB ALA A 22 2.237 9.481 -9.515 1.00 33.15 C ATOM 0 H ALA A 22 3.944 11.273 -10.084 1.00 2.01 H new ATOM 0 HA ALA A 22 2.462 9.300 -11.660 1.00 42.52 H new ATOM 0 HB1 ALA A 22 1.295 8.934 -9.476 1.00 33.15 H new ATOM 0 HB2 ALA A 22 3.061 8.799 -9.307 1.00 33.15 H new ATOM 0 HB3 ALA A 22 2.226 10.276 -8.769 1.00 33.15 H new ATOM 330 N THR A 23 0.089 10.335 -11.618 1.00 15.30 N ATOM 331 CA THR A 23 -1.207 10.994 -11.875 1.00 61.12 C ATOM 332 C THR A 23 -2.264 10.356 -10.961 1.00 63.32 C ATOM 333 O THR A 23 -2.488 9.149 -11.035 1.00 24.33 O ATOM 334 CB THR A 23 -1.659 10.847 -13.370 1.00 51.21 C ATOM 335 OG1 THR A 23 -0.624 11.319 -14.252 1.00 34.44 O ATOM 336 CG2 THR A 23 -2.961 11.627 -13.657 1.00 4.35 C ATOM 0 H THR A 23 0.057 9.323 -11.737 1.00 15.30 H new ATOM 0 HA THR A 23 -1.097 12.059 -11.670 1.00 61.12 H new ATOM 0 HB THR A 23 -1.847 9.788 -13.547 1.00 51.21 H new ATOM 0 HG1 THR A 23 -0.244 12.149 -13.896 1.00 34.44 H new ATOM 0 HG21 THR A 23 -3.239 11.499 -14.703 1.00 4.35 H new ATOM 0 HG22 THR A 23 -3.760 11.248 -13.020 1.00 4.35 H new ATOM 0 HG23 THR A 23 -2.804 12.686 -13.451 1.00 4.35 H new ATOM 344 N VAL A 24 -2.916 11.167 -10.119 1.00 44.32 N ATOM 345 CA VAL A 24 -3.893 10.673 -9.128 1.00 43.11 C ATOM 346 C VAL A 24 -5.182 10.200 -9.848 1.00 15.54 C ATOM 347 O VAL A 24 -5.999 11.008 -10.270 1.00 0.53 O ATOM 348 CB VAL A 24 -4.220 11.781 -8.055 1.00 14.20 C ATOM 349 CG1 VAL A 24 -5.210 11.266 -6.972 1.00 51.12 C ATOM 350 CG2 VAL A 24 -2.914 12.332 -7.420 1.00 34.14 C ATOM 0 H VAL A 24 -2.786 12.179 -10.101 1.00 44.32 H new ATOM 0 HA VAL A 24 -3.456 9.825 -8.601 1.00 43.11 H new ATOM 0 HB VAL A 24 -4.718 12.603 -8.569 1.00 14.20 H new ATOM 0 HG11 VAL A 24 -5.408 12.061 -6.253 1.00 51.12 H new ATOM 0 HG12 VAL A 24 -6.144 10.965 -7.447 1.00 51.12 H new ATOM 0 HG13 VAL A 24 -4.773 10.411 -6.457 1.00 51.12 H new ATOM 0 HG21 VAL A 24 -3.162 13.095 -6.682 1.00 34.14 H new ATOM 0 HG22 VAL A 24 -2.375 11.519 -6.934 1.00 34.14 H new ATOM 0 HG23 VAL A 24 -2.287 12.769 -8.198 1.00 34.14 H new ATOM 360 N THR A 25 -5.320 8.882 -10.033 1.00 73.12 N ATOM 361 CA THR A 25 -6.493 8.276 -10.708 1.00 71.24 C ATOM 362 C THR A 25 -7.594 7.893 -9.688 1.00 14.00 C ATOM 363 O THR A 25 -8.703 7.506 -10.077 1.00 41.53 O ATOM 364 CB THR A 25 -6.074 7.017 -11.540 1.00 24.32 C ATOM 365 OG1 THR A 25 -5.516 6.008 -10.680 1.00 3.54 O ATOM 366 CG2 THR A 25 -5.045 7.375 -12.626 1.00 52.42 C ATOM 0 H THR A 25 -4.628 8.200 -9.723 1.00 73.12 H new ATOM 0 HA THR A 25 -6.899 9.025 -11.388 1.00 71.24 H new ATOM 0 HB THR A 25 -6.974 6.635 -12.022 1.00 24.32 H new ATOM 0 HG1 THR A 25 -5.336 6.394 -9.797 1.00 3.54 H new ATOM 0 HG21 THR A 25 -4.777 6.477 -13.184 1.00 52.42 H new ATOM 0 HG22 THR A 25 -5.475 8.110 -13.306 1.00 52.42 H new ATOM 0 HG23 THR A 25 -4.153 7.792 -12.159 1.00 52.42 H new ATOM 374 N GLY A 26 -7.266 8.000 -8.384 1.00 72.22 N ATOM 375 CA GLY A 26 -8.226 7.778 -7.298 1.00 15.13 C ATOM 376 C GLY A 26 -7.726 8.326 -5.955 1.00 53.35 C ATOM 377 O GLY A 26 -6.519 8.347 -5.703 1.00 12.41 O ATOM 0 H GLY A 26 -6.329 8.242 -8.061 1.00 72.22 H new ATOM 0 HA2 GLY A 26 -9.174 8.254 -7.551 1.00 15.13 H new ATOM 0 HA3 GLY A 26 -8.421 6.710 -7.202 1.00 15.13 H new ATOM 381 N ALA A 27 -8.661 8.768 -5.095 1.00 50.23 N ATOM 382 CA ALA A 27 -8.356 9.286 -3.736 1.00 52.31 C ATOM 383 C ALA A 27 -9.312 8.643 -2.699 1.00 41.24 C ATOM 384 O ALA A 27 -10.525 8.855 -2.747 1.00 43.11 O ATOM 385 CB ALA A 27 -8.459 10.825 -3.718 1.00 22.13 C ATOM 0 H ALA A 27 -9.656 8.779 -5.318 1.00 50.23 H new ATOM 0 HA ALA A 27 -7.335 9.017 -3.467 1.00 52.31 H new ATOM 0 HB1 ALA A 27 -8.233 11.193 -2.717 1.00 22.13 H new ATOM 0 HB2 ALA A 27 -7.747 11.246 -4.428 1.00 22.13 H new ATOM 0 HB3 ALA A 27 -9.469 11.125 -3.996 1.00 22.13 H new ATOM 391 N TYR A 28 -8.750 7.837 -1.780 1.00 11.34 N ATOM 392 CA TYR A 28 -9.519 6.993 -0.827 1.00 5.14 C ATOM 393 C TYR A 28 -9.271 7.434 0.635 1.00 23.24 C ATOM 394 O TYR A 28 -8.124 7.595 1.060 1.00 40.10 O ATOM 395 CB TYR A 28 -9.113 5.495 -0.998 1.00 0.12 C ATOM 396 CG TYR A 28 -9.538 4.838 -2.325 1.00 72.33 C ATOM 397 CD1 TYR A 28 -9.078 5.319 -3.559 1.00 12.13 C ATOM 398 CD2 TYR A 28 -10.389 3.728 -2.346 1.00 24.20 C ATOM 399 CE1 TYR A 28 -9.453 4.725 -4.751 1.00 1.35 C ATOM 400 CE2 TYR A 28 -10.761 3.130 -3.536 1.00 32.11 C ATOM 401 CZ TYR A 28 -10.295 3.633 -4.735 1.00 64.50 C ATOM 402 OH TYR A 28 -10.673 3.040 -5.925 1.00 44.33 O ATOM 0 H TYR A 28 -7.740 7.747 -1.671 1.00 11.34 H new ATOM 0 HA TYR A 28 -10.580 7.114 -1.047 1.00 5.14 H new ATOM 0 HB2 TYR A 28 -8.030 5.418 -0.906 1.00 0.12 H new ATOM 0 HB3 TYR A 28 -9.544 4.924 -0.176 1.00 0.12 H new ATOM 0 HD1 TYR A 28 -8.416 6.172 -3.580 1.00 12.13 H new ATOM 0 HD2 TYR A 28 -10.763 3.330 -1.414 1.00 24.20 H new ATOM 0 HE1 TYR A 28 -9.088 5.115 -5.690 1.00 1.35 H new ATOM 0 HE2 TYR A 28 -11.415 2.271 -3.528 1.00 32.11 H new ATOM 0 HH TYR A 28 -11.267 2.283 -5.739 1.00 44.33 H new ATOM 412 N ASP A 29 -10.362 7.622 1.396 1.00 3.44 N ATOM 413 CA ASP A 29 -10.317 7.936 2.841 1.00 54.41 C ATOM 414 C ASP A 29 -10.677 6.676 3.679 1.00 20.00 C ATOM 415 O ASP A 29 -11.821 6.476 4.097 1.00 72.32 O ATOM 416 CB ASP A 29 -11.247 9.154 3.152 1.00 25.30 C ATOM 417 CG ASP A 29 -12.710 8.974 2.680 1.00 75.24 C ATOM 418 OD1 ASP A 29 -12.956 9.011 1.455 1.00 31.14 O ATOM 419 OD2 ASP A 29 -13.615 8.782 3.532 1.00 5.03 O ATOM 0 H ASP A 29 -11.310 7.561 1.026 1.00 3.44 H new ATOM 0 HA ASP A 29 -9.304 8.224 3.124 1.00 54.41 H new ATOM 0 HB2 ASP A 29 -11.244 9.334 4.227 1.00 25.30 H new ATOM 0 HB3 ASP A 29 -10.832 10.044 2.679 1.00 25.30 H new ATOM 424 N THR A 30 -9.684 5.794 3.883 1.00 54.33 N ATOM 425 CA THR A 30 -9.867 4.524 4.640 1.00 32.42 C ATOM 426 C THR A 30 -8.723 4.306 5.656 1.00 53.54 C ATOM 427 O THR A 30 -7.693 4.988 5.608 1.00 34.03 O ATOM 428 CB THR A 30 -9.987 3.289 3.679 1.00 60.43 C ATOM 429 OG1 THR A 30 -10.146 2.075 4.440 1.00 21.33 O ATOM 430 CG2 THR A 30 -8.778 3.159 2.736 1.00 14.12 C ATOM 0 H THR A 30 -8.735 5.931 3.535 1.00 54.33 H new ATOM 0 HA THR A 30 -10.803 4.614 5.191 1.00 32.42 H new ATOM 0 HB THR A 30 -10.869 3.453 3.060 1.00 60.43 H new ATOM 0 HG1 THR A 30 -10.350 1.333 3.833 1.00 21.33 H new ATOM 0 HG21 THR A 30 -8.910 2.289 2.092 1.00 14.12 H new ATOM 0 HG22 THR A 30 -8.697 4.056 2.122 1.00 14.12 H new ATOM 0 HG23 THR A 30 -7.869 3.039 3.325 1.00 14.12 H new ATOM 438 N THR A 31 -8.925 3.357 6.587 1.00 12.12 N ATOM 439 CA THR A 31 -7.914 2.998 7.604 1.00 41.32 C ATOM 440 C THR A 31 -6.819 2.124 6.952 1.00 34.22 C ATOM 441 O THR A 31 -7.119 1.056 6.408 1.00 62.20 O ATOM 442 CB THR A 31 -8.545 2.218 8.814 1.00 55.24 C ATOM 443 OG1 THR A 31 -9.800 2.809 9.192 1.00 54.23 O ATOM 444 CG2 THR A 31 -7.606 2.216 10.039 1.00 42.40 C ATOM 0 H THR A 31 -9.788 2.818 6.658 1.00 12.12 H new ATOM 0 HA THR A 31 -7.488 3.925 7.989 1.00 41.32 H new ATOM 0 HB THR A 31 -8.700 1.189 8.488 1.00 55.24 H new ATOM 0 HG1 THR A 31 -10.182 2.312 9.945 1.00 54.23 H new ATOM 0 HG21 THR A 31 -8.075 1.668 10.856 1.00 42.40 H new ATOM 0 HG22 THR A 31 -6.664 1.737 9.774 1.00 42.40 H new ATOM 0 HG23 THR A 31 -7.415 3.242 10.353 1.00 42.40 H new ATOM 452 N ALA A 32 -5.563 2.583 7.023 1.00 44.02 N ATOM 453 CA ALA A 32 -4.416 1.913 6.385 1.00 3.54 C ATOM 454 C ALA A 32 -3.521 1.275 7.467 1.00 50.53 C ATOM 455 O ALA A 32 -3.476 1.750 8.604 1.00 42.32 O ATOM 456 CB ALA A 32 -3.639 2.922 5.530 1.00 74.24 C ATOM 0 H ALA A 32 -5.310 3.433 7.526 1.00 44.02 H new ATOM 0 HA ALA A 32 -4.767 1.117 5.728 1.00 3.54 H new ATOM 0 HB1 ALA A 32 -2.791 2.424 5.059 1.00 74.24 H new ATOM 0 HB2 ALA A 32 -4.295 3.327 4.760 1.00 74.24 H new ATOM 0 HB3 ALA A 32 -3.278 3.733 6.162 1.00 74.24 H new ATOM 462 N TYR A 33 -2.816 0.189 7.113 1.00 11.22 N ATOM 463 CA TYR A 33 -2.036 -0.623 8.080 1.00 63.14 C ATOM 464 C TYR A 33 -0.647 -1.007 7.533 1.00 14.34 C ATOM 465 O TYR A 33 -0.443 -1.177 6.321 1.00 54.05 O ATOM 466 CB TYR A 33 -2.813 -1.919 8.469 1.00 55.40 C ATOM 467 CG TYR A 33 -4.104 -1.662 9.255 1.00 64.34 C ATOM 468 CD1 TYR A 33 -4.060 -1.400 10.624 1.00 22.23 C ATOM 469 CD2 TYR A 33 -5.357 -1.660 8.631 1.00 12.42 C ATOM 470 CE1 TYR A 33 -5.209 -1.145 11.342 1.00 51.53 C ATOM 471 CE2 TYR A 33 -6.508 -1.407 9.351 1.00 61.34 C ATOM 472 CZ TYR A 33 -6.429 -1.151 10.708 1.00 33.52 C ATOM 473 OH TYR A 33 -7.577 -0.890 11.434 1.00 4.33 O ATOM 0 H TYR A 33 -2.766 -0.156 6.154 1.00 11.22 H new ATOM 0 HA TYR A 33 -1.893 -0.001 8.964 1.00 63.14 H new ATOM 0 HB2 TYR A 33 -3.057 -2.470 7.561 1.00 55.40 H new ATOM 0 HB3 TYR A 33 -2.159 -2.557 9.063 1.00 55.40 H new ATOM 0 HD1 TYR A 33 -3.107 -1.397 11.132 1.00 22.23 H new ATOM 0 HD2 TYR A 33 -5.425 -1.859 7.572 1.00 12.42 H new ATOM 0 HE1 TYR A 33 -5.151 -0.941 12.401 1.00 51.53 H new ATOM 0 HE2 TYR A 33 -7.468 -1.409 8.856 1.00 61.34 H new ATOM 0 HH TYR A 33 -8.336 -1.355 11.024 1.00 4.33 H new ATOM 483 N VAL A 34 0.292 -1.132 8.478 1.00 61.44 N ATOM 484 CA VAL A 34 1.632 -1.691 8.264 1.00 51.24 C ATOM 485 C VAL A 34 1.651 -3.090 8.916 1.00 14.44 C ATOM 486 O VAL A 34 1.514 -3.189 10.131 1.00 64.25 O ATOM 487 CB VAL A 34 2.734 -0.765 8.914 1.00 35.11 C ATOM 488 CG1 VAL A 34 4.151 -1.336 8.694 1.00 73.04 C ATOM 489 CG2 VAL A 34 2.629 0.686 8.379 1.00 24.22 C ATOM 0 H VAL A 34 0.136 -0.838 9.442 1.00 61.44 H new ATOM 0 HA VAL A 34 1.853 -1.757 7.199 1.00 51.24 H new ATOM 0 HB VAL A 34 2.552 -0.741 9.988 1.00 35.11 H new ATOM 0 HG11 VAL A 34 4.885 -0.674 9.154 1.00 73.04 H new ATOM 0 HG12 VAL A 34 4.219 -2.325 9.147 1.00 73.04 H new ATOM 0 HG13 VAL A 34 4.351 -1.412 7.625 1.00 73.04 H new ATOM 0 HG21 VAL A 34 3.399 1.302 8.843 1.00 24.22 H new ATOM 0 HG22 VAL A 34 2.767 0.686 7.298 1.00 24.22 H new ATOM 0 HG23 VAL A 34 1.646 1.092 8.619 1.00 24.22 H new ATOM 499 N VAL A 35 1.736 -4.162 8.103 1.00 12.31 N ATOM 500 CA VAL A 35 1.693 -5.568 8.595 1.00 13.43 C ATOM 501 C VAL A 35 2.977 -6.349 8.240 1.00 53.34 C ATOM 502 O VAL A 35 3.613 -6.094 7.225 1.00 13.53 O ATOM 503 CB VAL A 35 0.448 -6.350 8.025 1.00 63.41 C ATOM 504 CG1 VAL A 35 -0.876 -5.724 8.517 1.00 74.41 C ATOM 505 CG2 VAL A 35 0.490 -6.452 6.473 1.00 33.44 C ATOM 0 H VAL A 35 1.836 -4.086 7.091 1.00 12.31 H new ATOM 0 HA VAL A 35 1.610 -5.500 9.680 1.00 13.43 H new ATOM 0 HB VAL A 35 0.497 -7.368 8.412 1.00 63.41 H new ATOM 0 HG11 VAL A 35 -1.717 -6.284 8.108 1.00 74.41 H new ATOM 0 HG12 VAL A 35 -0.912 -5.758 9.606 1.00 74.41 H new ATOM 0 HG13 VAL A 35 -0.934 -4.688 8.185 1.00 74.41 H new ATOM 0 HG21 VAL A 35 -0.385 -6.998 6.120 1.00 33.44 H new ATOM 0 HG22 VAL A 35 0.491 -5.451 6.042 1.00 33.44 H new ATOM 0 HG23 VAL A 35 1.394 -6.979 6.167 1.00 33.44 H new ATOM 515 N SER A 36 3.339 -7.313 9.096 1.00 71.40 N ATOM 516 CA SER A 36 4.474 -8.240 8.859 1.00 5.04 C ATOM 517 C SER A 36 3.959 -9.686 8.769 1.00 65.34 C ATOM 518 O SER A 36 3.206 -10.130 9.640 1.00 14.43 O ATOM 519 CB SER A 36 5.518 -8.125 9.990 1.00 22.14 C ATOM 520 OG SER A 36 6.602 -9.029 9.798 1.00 55.11 O ATOM 0 H SER A 36 2.856 -7.480 9.979 1.00 71.40 H new ATOM 0 HA SER A 36 4.952 -7.967 7.918 1.00 5.04 H new ATOM 0 HB2 SER A 36 5.898 -7.104 10.032 1.00 22.14 H new ATOM 0 HB3 SER A 36 5.040 -8.327 10.949 1.00 22.14 H new ATOM 0 HG SER A 36 7.448 -8.567 9.973 1.00 55.11 H new ATOM 526 N TYR A 37 4.397 -10.430 7.740 1.00 64.11 N ATOM 527 CA TYR A 37 3.882 -11.792 7.454 1.00 11.31 C ATOM 528 C TYR A 37 4.938 -12.674 6.773 1.00 35.55 C ATOM 529 O TYR A 37 5.845 -12.178 6.103 1.00 63.20 O ATOM 530 CB TYR A 37 2.598 -11.734 6.573 1.00 55.22 C ATOM 531 CG TYR A 37 2.739 -10.996 5.231 1.00 11.54 C ATOM 532 CD1 TYR A 37 2.567 -9.613 5.151 1.00 60.04 C ATOM 533 CD2 TYR A 37 3.030 -11.683 4.045 1.00 2.04 C ATOM 534 CE1 TYR A 37 2.677 -8.949 3.950 1.00 1.41 C ATOM 535 CE2 TYR A 37 3.140 -11.016 2.840 1.00 74.43 C ATOM 536 CZ TYR A 37 2.963 -9.649 2.800 1.00 34.24 C ATOM 537 OH TYR A 37 3.075 -8.975 1.605 1.00 3.31 O ATOM 0 H TYR A 37 5.112 -10.114 7.084 1.00 64.11 H new ATOM 0 HA TYR A 37 3.633 -12.240 8.416 1.00 11.31 H new ATOM 0 HB2 TYR A 37 2.272 -12.754 6.372 1.00 55.22 H new ATOM 0 HB3 TYR A 37 1.807 -11.254 7.149 1.00 55.22 H new ATOM 0 HD1 TYR A 37 2.344 -9.054 6.048 1.00 60.04 H new ATOM 0 HD2 TYR A 37 3.171 -12.753 4.073 1.00 2.04 H new ATOM 0 HE1 TYR A 37 2.539 -7.879 3.910 1.00 1.41 H new ATOM 0 HE2 TYR A 37 3.363 -11.562 1.935 1.00 74.43 H new ATOM 0 HH TYR A 37 3.517 -8.113 1.756 1.00 3.31 H new ATOM 547 N THR A 38 4.774 -13.996 6.922 1.00 10.40 N ATOM 548 CA THR A 38 5.631 -14.995 6.256 1.00 43.14 C ATOM 549 C THR A 38 4.796 -15.698 5.157 1.00 44.04 C ATOM 550 O THR A 38 3.825 -16.394 5.488 1.00 22.45 O ATOM 551 CB THR A 38 6.198 -16.056 7.266 1.00 21.32 C ATOM 552 OG1 THR A 38 6.768 -15.391 8.401 1.00 1.34 O ATOM 553 CG2 THR A 38 7.274 -16.960 6.619 1.00 35.35 C ATOM 0 H THR A 38 4.045 -14.406 7.506 1.00 10.40 H new ATOM 0 HA THR A 38 6.490 -14.484 5.821 1.00 43.14 H new ATOM 0 HB THR A 38 5.365 -16.688 7.573 1.00 21.32 H new ATOM 0 HG1 THR A 38 7.119 -16.057 9.028 1.00 1.34 H new ATOM 0 HG21 THR A 38 7.637 -17.678 7.355 1.00 35.35 H new ATOM 0 HG22 THR A 38 6.840 -17.495 5.774 1.00 35.35 H new ATOM 0 HG23 THR A 38 8.104 -16.345 6.271 1.00 35.35 H new ATOM 561 N PRO A 39 5.114 -15.477 3.834 1.00 22.51 N ATOM 562 CA PRO A 39 4.392 -16.124 2.695 1.00 14.33 C ATOM 563 C PRO A 39 4.259 -17.674 2.822 1.00 72.11 C ATOM 564 O PRO A 39 5.266 -18.394 2.819 1.00 62.10 O ATOM 565 CB PRO A 39 5.255 -15.726 1.469 1.00 62.44 C ATOM 566 CG PRO A 39 5.880 -14.424 1.864 1.00 24.12 C ATOM 567 CD PRO A 39 6.170 -14.547 3.344 1.00 1.42 C ATOM 0 HA PRO A 39 3.355 -15.794 2.638 1.00 14.33 H new ATOM 0 HB2 PRO A 39 6.011 -16.481 1.253 1.00 62.44 H new ATOM 0 HB3 PRO A 39 4.646 -15.619 0.572 1.00 62.44 H new ATOM 0 HG2 PRO A 39 6.794 -14.240 1.299 1.00 24.12 H new ATOM 0 HG3 PRO A 39 5.208 -13.589 1.664 1.00 24.12 H new ATOM 0 HD2 PRO A 39 7.169 -14.944 3.525 1.00 1.42 H new ATOM 0 HD3 PRO A 39 6.116 -13.580 3.844 1.00 1.42 H new ATOM 575 N THR A 40 2.997 -18.160 2.911 1.00 11.00 N ATOM 576 CA THR A 40 2.651 -19.594 3.168 1.00 1.53 C ATOM 577 C THR A 40 3.204 -20.574 2.102 1.00 42.33 C ATOM 578 O THR A 40 3.418 -21.757 2.387 1.00 70.04 O ATOM 579 CB THR A 40 1.099 -19.770 3.265 1.00 51.40 C ATOM 580 OG1 THR A 40 0.479 -19.150 2.124 1.00 2.20 O ATOM 581 CG2 THR A 40 0.526 -19.165 4.562 1.00 52.45 C ATOM 0 H THR A 40 2.175 -17.566 2.806 1.00 11.00 H new ATOM 0 HA THR A 40 3.130 -19.847 4.114 1.00 1.53 H new ATOM 0 HB THR A 40 0.883 -20.838 3.280 1.00 51.40 H new ATOM 0 HG1 THR A 40 -0.493 -19.260 2.180 1.00 2.20 H new ATOM 0 HG21 THR A 40 -0.554 -19.311 4.585 1.00 52.45 H new ATOM 0 HG22 THR A 40 0.977 -19.657 5.423 1.00 52.45 H new ATOM 0 HG23 THR A 40 0.749 -18.099 4.595 1.00 52.45 H new ATOM 589 N ASN A 41 3.453 -20.064 0.882 1.00 71.33 N ATOM 590 CA ASN A 41 4.025 -20.860 -0.241 1.00 32.52 C ATOM 591 C ASN A 41 5.567 -21.044 -0.128 1.00 74.24 C ATOM 592 O ASN A 41 6.219 -21.464 -1.092 1.00 50.44 O ATOM 593 CB ASN A 41 3.645 -20.196 -1.586 1.00 54.34 C ATOM 594 CG ASN A 41 2.131 -20.129 -1.790 1.00 22.33 C ATOM 595 OD1 ASN A 41 1.483 -19.154 -1.434 1.00 43.21 O ATOM 596 ND2 ASN A 41 1.555 -21.175 -2.347 1.00 1.41 N ATOM 0 H ASN A 41 3.267 -19.091 0.638 1.00 71.33 H new ATOM 0 HA ASN A 41 3.597 -21.861 -0.190 1.00 32.52 H new ATOM 0 HB2 ASN A 41 4.060 -19.189 -1.622 1.00 54.34 H new ATOM 0 HB3 ASN A 41 4.096 -20.756 -2.406 1.00 54.34 H new ATOM 0 HD21 ASN A 41 0.545 -21.185 -2.491 1.00 1.41 H new ATOM 0 HD22 ASN A 41 2.119 -21.975 -2.635 1.00 1.41 H new ATOM 603 N GLY A 42 6.133 -20.757 1.061 1.00 31.53 N ATOM 604 CA GLY A 42 7.566 -20.953 1.330 1.00 25.23 C ATOM 605 C GLY A 42 8.444 -19.776 0.890 1.00 3.45 C ATOM 606 O GLY A 42 9.522 -19.970 0.311 1.00 44.54 O ATOM 0 H GLY A 42 5.611 -20.385 1.855 1.00 31.53 H new ATOM 0 HA2 GLY A 42 7.706 -21.120 2.398 1.00 25.23 H new ATOM 0 HA3 GLY A 42 7.902 -21.856 0.820 1.00 25.23 H new ATOM 610 N GLY A 43 7.980 -18.551 1.187 1.00 71.14 N ATOM 611 CA GLY A 43 8.695 -17.318 0.817 1.00 44.43 C ATOM 612 C GLY A 43 9.332 -16.613 2.016 1.00 31.13 C ATOM 613 O GLY A 43 8.976 -16.891 3.170 1.00 23.25 O ATOM 0 H GLY A 43 7.106 -18.388 1.686 1.00 71.14 H new ATOM 0 HA2 GLY A 43 9.471 -17.559 0.090 1.00 44.43 H new ATOM 0 HA3 GLY A 43 8.001 -16.635 0.328 1.00 44.43 H new ATOM 617 N GLN A 44 10.273 -15.690 1.735 1.00 1.14 N ATOM 618 CA GLN A 44 10.951 -14.877 2.770 1.00 11.31 C ATOM 619 C GLN A 44 9.956 -13.913 3.462 1.00 3.11 C ATOM 620 O GLN A 44 9.155 -13.258 2.784 1.00 31.50 O ATOM 621 CB GLN A 44 12.117 -14.076 2.132 1.00 5.40 C ATOM 622 CG GLN A 44 12.925 -13.208 3.124 1.00 3.12 C ATOM 623 CD GLN A 44 14.053 -12.384 2.483 1.00 13.04 C ATOM 624 OE1 GLN A 44 14.364 -11.289 2.940 1.00 52.51 O ATOM 625 NE2 GLN A 44 14.700 -12.912 1.455 1.00 42.23 N ATOM 0 H GLN A 44 10.586 -15.486 0.786 1.00 1.14 H new ATOM 0 HA GLN A 44 11.350 -15.551 3.528 1.00 11.31 H new ATOM 0 HB2 GLN A 44 12.797 -14.776 1.646 1.00 5.40 H new ATOM 0 HB3 GLN A 44 11.712 -13.431 1.352 1.00 5.40 H new ATOM 0 HG2 GLN A 44 12.241 -12.529 3.632 1.00 3.12 H new ATOM 0 HG3 GLN A 44 13.355 -13.857 3.887 1.00 3.12 H new ATOM 0 HE21 GLN A 44 14.423 -13.824 1.092 1.00 42.23 H new ATOM 0 HE22 GLN A 44 15.475 -12.406 1.026 1.00 42.23 H new ATOM 634 N ARG A 45 10.031 -13.840 4.806 1.00 53.23 N ATOM 635 CA ARG A 45 9.130 -13.006 5.632 1.00 31.52 C ATOM 636 C ARG A 45 9.192 -11.510 5.244 1.00 21.11 C ATOM 637 O ARG A 45 10.238 -10.857 5.361 1.00 64.24 O ATOM 638 CB ARG A 45 9.467 -13.173 7.134 1.00 30.23 C ATOM 639 CG ARG A 45 8.554 -12.379 8.102 1.00 34.34 C ATOM 640 CD ARG A 45 8.897 -12.624 9.583 1.00 72.13 C ATOM 641 NE ARG A 45 8.816 -14.054 9.938 1.00 51.35 N ATOM 642 CZ ARG A 45 8.439 -14.544 11.100 1.00 34.43 C ATOM 643 NH1 ARG A 45 8.049 -13.771 12.062 1.00 31.40 N ATOM 644 NH2 ARG A 45 8.441 -15.820 11.271 1.00 35.01 N ATOM 0 H ARG A 45 10.719 -14.358 5.352 1.00 53.23 H new ATOM 0 HA ARG A 45 8.114 -13.353 5.443 1.00 31.52 H new ATOM 0 HB2 ARG A 45 9.408 -14.231 7.389 1.00 30.23 H new ATOM 0 HB3 ARG A 45 10.499 -12.863 7.296 1.00 30.23 H new ATOM 0 HG2 ARG A 45 8.641 -11.314 7.885 1.00 34.34 H new ATOM 0 HG3 ARG A 45 7.515 -12.657 7.924 1.00 34.34 H new ATOM 0 HD2 ARG A 45 9.902 -12.255 9.789 1.00 72.13 H new ATOM 0 HD3 ARG A 45 8.214 -12.054 10.213 1.00 72.13 H new ATOM 0 HE ARG A 45 9.076 -14.725 9.216 1.00 51.35 H new ATOM 0 HH11 ARG A 45 8.029 -12.760 11.928 1.00 31.40 H new ATOM 0 HH12 ARG A 45 7.761 -14.173 12.954 1.00 31.40 H new ATOM 0 HH21 ARG A 45 8.732 -16.436 10.512 1.00 35.01 H new ATOM 0 HH22 ARG A 45 8.152 -16.215 12.166 1.00 35.01 H new ATOM 658 N VAL A 46 8.055 -10.998 4.775 1.00 51.15 N ATOM 659 CA VAL A 46 7.894 -9.592 4.388 1.00 72.43 C ATOM 660 C VAL A 46 7.551 -8.755 5.643 1.00 33.15 C ATOM 661 O VAL A 46 6.426 -8.811 6.152 1.00 30.14 O ATOM 662 CB VAL A 46 6.779 -9.455 3.292 1.00 2.54 C ATOM 663 CG1 VAL A 46 6.682 -8.008 2.745 1.00 15.13 C ATOM 664 CG2 VAL A 46 7.000 -10.490 2.155 1.00 44.34 C ATOM 0 H VAL A 46 7.208 -11.552 4.651 1.00 51.15 H new ATOM 0 HA VAL A 46 8.825 -9.218 3.962 1.00 72.43 H new ATOM 0 HB VAL A 46 5.820 -9.673 3.761 1.00 2.54 H new ATOM 0 HG11 VAL A 46 5.899 -7.957 1.989 1.00 15.13 H new ATOM 0 HG12 VAL A 46 6.444 -7.326 3.561 1.00 15.13 H new ATOM 0 HG13 VAL A 46 7.635 -7.723 2.300 1.00 15.13 H new ATOM 0 HG21 VAL A 46 6.217 -10.379 1.405 1.00 44.34 H new ATOM 0 HG22 VAL A 46 7.972 -10.320 1.692 1.00 44.34 H new ATOM 0 HG23 VAL A 46 6.966 -11.498 2.569 1.00 44.34 H new ATOM 674 N ASP A 47 8.543 -7.996 6.137 1.00 71.01 N ATOM 675 CA ASP A 47 8.445 -7.259 7.414 1.00 50.23 C ATOM 676 C ASP A 47 8.107 -5.771 7.161 1.00 40.22 C ATOM 677 O ASP A 47 8.694 -5.137 6.270 1.00 13.50 O ATOM 678 CB ASP A 47 9.775 -7.401 8.196 1.00 32.51 C ATOM 679 CG ASP A 47 9.743 -6.740 9.586 1.00 75.52 C ATOM 680 OD1 ASP A 47 8.951 -7.183 10.445 1.00 52.23 O ATOM 681 OD2 ASP A 47 10.495 -5.772 9.827 1.00 22.14 O ATOM 0 H ASP A 47 9.438 -7.874 5.664 1.00 71.01 H new ATOM 0 HA ASP A 47 7.638 -7.684 8.012 1.00 50.23 H new ATOM 0 HB2 ASP A 47 10.009 -8.459 8.311 1.00 32.51 H new ATOM 0 HB3 ASP A 47 10.581 -6.959 7.610 1.00 32.51 H new ATOM 686 N HIS A 48 7.156 -5.238 7.961 1.00 2.03 N ATOM 687 CA HIS A 48 6.677 -3.836 7.869 1.00 10.53 C ATOM 688 C HIS A 48 6.118 -3.490 6.457 1.00 31.42 C ATOM 689 O HIS A 48 6.306 -2.375 5.946 1.00 32.04 O ATOM 690 CB HIS A 48 7.790 -2.840 8.323 1.00 71.55 C ATOM 691 CG HIS A 48 8.157 -2.929 9.787 1.00 34.01 C ATOM 692 ND1 HIS A 48 8.885 -1.952 10.436 1.00 15.44 N ATOM 693 CD2 HIS A 48 7.905 -3.877 10.727 1.00 61.02 C ATOM 694 CE1 HIS A 48 9.062 -2.295 11.696 1.00 21.11 C ATOM 695 NE2 HIS A 48 8.477 -3.454 11.897 1.00 44.31 N ATOM 0 H HIS A 48 6.694 -5.773 8.696 1.00 2.03 H new ATOM 0 HA HIS A 48 5.837 -3.731 8.556 1.00 10.53 H new ATOM 0 HB2 HIS A 48 8.684 -3.019 7.726 1.00 71.55 H new ATOM 0 HB3 HIS A 48 7.460 -1.824 8.106 1.00 71.55 H new ATOM 0 HD2 HIS A 48 7.355 -4.795 10.579 1.00 61.02 H new ATOM 0 HE1 HIS A 48 9.597 -1.721 12.438 1.00 21.11 H new ATOM 0 HE2 HIS A 48 8.453 -3.958 12.783 1.00 44.31 H new ATOM 704 N HIS A 49 5.401 -4.462 5.861 1.00 22.52 N ATOM 705 CA HIS A 49 4.738 -4.311 4.546 1.00 1.13 C ATOM 706 C HIS A 49 3.603 -3.276 4.625 1.00 31.11 C ATOM 707 O HIS A 49 2.782 -3.305 5.544 1.00 52.22 O ATOM 708 CB HIS A 49 4.169 -5.674 4.062 1.00 44.42 C ATOM 709 CG HIS A 49 3.417 -5.637 2.737 1.00 33.32 C ATOM 710 ND1 HIS A 49 4.039 -5.925 1.546 1.00 12.03 N ATOM 711 CD2 HIS A 49 2.111 -5.335 2.479 1.00 70.51 C ATOM 712 CE1 HIS A 49 3.117 -5.789 0.606 1.00 13.34 C ATOM 713 NE2 HIS A 49 1.938 -5.434 1.124 1.00 23.03 N ATOM 0 H HIS A 49 5.263 -5.382 6.280 1.00 22.52 H new ATOM 0 HA HIS A 49 5.484 -3.963 3.832 1.00 1.13 H new ATOM 0 HB2 HIS A 49 4.994 -6.381 3.972 1.00 44.42 H new ATOM 0 HB3 HIS A 49 3.499 -6.062 4.829 1.00 44.42 H new ATOM 0 HD1 HIS A 49 5.015 -6.190 1.413 1.00 12.03 H new ATOM 0 HD2 HIS A 49 1.357 -5.069 3.205 1.00 70.51 H new ATOM 0 HE1 HIS A 49 3.296 -5.945 -0.448 1.00 13.34 H new ATOM 721 N LYS A 50 3.547 -2.397 3.626 1.00 12.02 N ATOM 722 CA LYS A 50 2.487 -1.388 3.514 1.00 63.43 C ATOM 723 C LYS A 50 2.229 -1.034 2.022 1.00 45.32 C ATOM 724 O LYS A 50 3.125 -1.199 1.197 1.00 51.32 O ATOM 725 CB LYS A 50 2.864 -0.133 4.354 1.00 71.31 C ATOM 726 CG LYS A 50 4.112 0.637 3.866 1.00 12.32 C ATOM 727 CD LYS A 50 4.377 1.914 4.689 1.00 14.31 C ATOM 728 CE LYS A 50 5.450 2.817 4.069 1.00 21.33 C ATOM 729 NZ LYS A 50 5.544 4.120 4.767 1.00 21.43 N ATOM 0 H LYS A 50 4.232 -2.361 2.871 1.00 12.02 H new ATOM 0 HA LYS A 50 1.557 -1.792 3.914 1.00 63.43 H new ATOM 0 HB2 LYS A 50 2.014 0.550 4.358 1.00 71.31 H new ATOM 0 HB3 LYS A 50 3.029 -0.443 5.386 1.00 71.31 H new ATOM 0 HG2 LYS A 50 4.983 -0.016 3.923 1.00 12.32 H new ATOM 0 HG3 LYS A 50 3.983 0.905 2.817 1.00 12.32 H new ATOM 0 HD2 LYS A 50 3.448 2.477 4.785 1.00 14.31 H new ATOM 0 HD3 LYS A 50 4.685 1.633 5.696 1.00 14.31 H new ATOM 0 HE2 LYS A 50 6.416 2.313 4.108 1.00 21.33 H new ATOM 0 HE3 LYS A 50 5.220 2.984 3.017 1.00 21.33 H new ATOM 0 HZ1 LYS A 50 6.280 4.702 4.318 1.00 21.43 H new ATOM 0 HZ2 LYS A 50 4.630 4.612 4.708 1.00 21.43 H new ATOM 0 HZ3 LYS A 50 5.788 3.962 5.766 1.00 21.43 H new ATOM 743 N TRP A 51 1.009 -0.576 1.641 1.00 21.21 N ATOM 744 CA TRP A 51 -0.170 -0.416 2.536 1.00 2.41 C ATOM 745 C TRP A 51 -1.235 -1.502 2.281 1.00 63.53 C ATOM 746 O TRP A 51 -1.509 -1.880 1.137 1.00 2.41 O ATOM 747 CB TRP A 51 -0.803 0.993 2.365 1.00 32.14 C ATOM 748 CG TRP A 51 0.101 2.120 2.809 1.00 54.43 C ATOM 749 CD1 TRP A 51 0.889 2.908 2.023 1.00 61.35 C ATOM 750 CD2 TRP A 51 0.325 2.552 4.161 1.00 64.20 C ATOM 751 NE1 TRP A 51 1.574 3.804 2.796 1.00 12.12 N ATOM 752 CE2 TRP A 51 1.238 3.613 4.109 1.00 65.24 C ATOM 753 CE3 TRP A 51 -0.177 2.151 5.409 1.00 14.12 C ATOM 754 CZ2 TRP A 51 1.677 4.272 5.254 1.00 34.13 C ATOM 755 CZ3 TRP A 51 0.260 2.805 6.544 1.00 13.13 C ATOM 756 CH2 TRP A 51 1.171 3.865 6.457 1.00 24.14 C ATOM 0 H TRP A 51 0.811 -0.300 0.679 1.00 21.21 H new ATOM 0 HA TRP A 51 0.187 -0.527 3.560 1.00 2.41 H new ATOM 0 HB2 TRP A 51 -1.065 1.140 1.317 1.00 32.14 H new ATOM 0 HB3 TRP A 51 -1.731 1.037 2.935 1.00 32.14 H new ATOM 0 HD1 TRP A 51 0.961 2.835 0.948 1.00 61.35 H new ATOM 0 HE1 TRP A 51 2.231 4.503 2.449 1.00 12.12 H new ATOM 0 HE3 TRP A 51 -0.892 1.345 5.480 1.00 14.12 H new ATOM 0 HZ2 TRP A 51 2.393 5.078 5.194 1.00 34.13 H new ATOM 0 HZ3 TRP A 51 -0.106 2.495 7.512 1.00 13.13 H new ATOM 0 HH2 TRP A 51 1.480 4.372 7.359 1.00 24.14 H new ATOM 767 N VAL A 52 -1.814 -1.994 3.384 1.00 12.12 N ATOM 768 CA VAL A 52 -3.007 -2.862 3.381 1.00 33.44 C ATOM 769 C VAL A 52 -4.121 -2.161 4.188 1.00 0.24 C ATOM 770 O VAL A 52 -3.864 -1.566 5.232 1.00 1.23 O ATOM 771 CB VAL A 52 -2.711 -4.301 3.959 1.00 24.30 C ATOM 772 CG1 VAL A 52 -1.708 -5.077 3.061 1.00 4.41 C ATOM 773 CG2 VAL A 52 -2.217 -4.233 5.426 1.00 41.41 C ATOM 0 H VAL A 52 -1.463 -1.799 4.322 1.00 12.12 H new ATOM 0 HA VAL A 52 -3.325 -3.014 2.349 1.00 33.44 H new ATOM 0 HB VAL A 52 -3.651 -4.853 3.956 1.00 24.30 H new ATOM 0 HG11 VAL A 52 -1.526 -6.064 3.487 1.00 4.41 H new ATOM 0 HG12 VAL A 52 -2.125 -5.186 2.060 1.00 4.41 H new ATOM 0 HG13 VAL A 52 -0.769 -4.527 3.005 1.00 4.41 H new ATOM 0 HG21 VAL A 52 -2.023 -5.241 5.792 1.00 41.41 H new ATOM 0 HG22 VAL A 52 -1.299 -3.647 5.474 1.00 41.41 H new ATOM 0 HG23 VAL A 52 -2.981 -3.763 6.046 1.00 41.41 H new ATOM 783 N ILE A 53 -5.348 -2.203 3.679 1.00 22.21 N ATOM 784 CA ILE A 53 -6.490 -1.458 4.263 1.00 44.21 C ATOM 785 C ILE A 53 -7.563 -2.415 4.843 1.00 62.12 C ATOM 786 O ILE A 53 -7.425 -3.639 4.760 1.00 62.13 O ATOM 787 CB ILE A 53 -7.096 -0.468 3.190 1.00 43.23 C ATOM 788 CG1 ILE A 53 -7.515 -1.229 1.886 1.00 1.01 C ATOM 789 CG2 ILE A 53 -6.088 0.673 2.867 1.00 4.31 C ATOM 790 CD1 ILE A 53 -8.061 -0.346 0.769 1.00 4.50 C ATOM 0 H ILE A 53 -5.592 -2.749 2.853 1.00 22.21 H new ATOM 0 HA ILE A 53 -6.123 -0.866 5.101 1.00 44.21 H new ATOM 0 HB ILE A 53 -7.995 -0.022 3.615 1.00 43.23 H new ATOM 0 HG12 ILE A 53 -6.650 -1.773 1.508 1.00 1.01 H new ATOM 0 HG13 ILE A 53 -8.271 -1.971 2.144 1.00 1.01 H new ATOM 0 HG21 ILE A 53 -6.523 1.344 2.127 1.00 4.31 H new ATOM 0 HG22 ILE A 53 -5.866 1.231 3.777 1.00 4.31 H new ATOM 0 HG23 ILE A 53 -5.167 0.244 2.471 1.00 4.31 H new ATOM 0 HD11 ILE A 53 -8.322 -0.965 -0.089 1.00 4.50 H new ATOM 0 HD12 ILE A 53 -8.949 0.179 1.121 1.00 4.50 H new ATOM 0 HD13 ILE A 53 -7.303 0.380 0.475 1.00 4.50 H new ATOM 802 N GLN A 54 -8.583 -1.842 5.506 1.00 44.34 N ATOM 803 CA GLN A 54 -9.717 -2.606 6.100 1.00 65.22 C ATOM 804 C GLN A 54 -10.374 -3.640 5.140 1.00 73.42 C ATOM 805 O GLN A 54 -10.550 -4.810 5.505 1.00 43.03 O ATOM 806 CB GLN A 54 -10.779 -1.609 6.645 1.00 1.51 C ATOM 807 CG GLN A 54 -10.405 -0.962 7.992 1.00 45.52 C ATOM 808 CD GLN A 54 -10.392 -1.981 9.135 1.00 4.15 C ATOM 809 OE1 GLN A 54 -9.381 -2.602 9.438 1.00 53.42 O ATOM 810 NE2 GLN A 54 -11.535 -2.197 9.743 1.00 40.43 N ATOM 0 H GLN A 54 -8.653 -0.835 5.650 1.00 44.34 H new ATOM 0 HA GLN A 54 -9.297 -3.202 6.910 1.00 65.22 H new ATOM 0 HB2 GLN A 54 -10.934 -0.822 5.907 1.00 1.51 H new ATOM 0 HB3 GLN A 54 -11.728 -2.132 6.757 1.00 1.51 H new ATOM 0 HG2 GLN A 54 -9.423 -0.497 7.910 1.00 45.52 H new ATOM 0 HG3 GLN A 54 -11.115 -0.168 8.222 1.00 45.52 H new ATOM 0 HE21 GLN A 54 -12.364 -1.667 9.474 1.00 40.43 H new ATOM 0 HE22 GLN A 54 -11.594 -2.894 10.485 1.00 40.43 H new ATOM 819 N GLU A 55 -10.709 -3.217 3.912 1.00 30.51 N ATOM 820 CA GLU A 55 -11.362 -4.098 2.904 1.00 63.51 C ATOM 821 C GLU A 55 -10.339 -5.019 2.179 1.00 61.22 C ATOM 822 O GLU A 55 -10.722 -5.836 1.338 1.00 24.05 O ATOM 823 CB GLU A 55 -12.184 -3.266 1.868 1.00 42.23 C ATOM 824 CG GLU A 55 -11.440 -2.069 1.214 1.00 4.21 C ATOM 825 CD GLU A 55 -11.606 -0.740 1.987 1.00 60.22 C ATOM 826 OE1 GLU A 55 -12.580 -0.010 1.713 1.00 14.21 O ATOM 827 OE2 GLU A 55 -10.780 -0.430 2.872 1.00 21.31 O ATOM 0 H GLU A 55 -10.542 -2.267 3.582 1.00 30.51 H new ATOM 0 HA GLU A 55 -12.051 -4.741 3.451 1.00 63.51 H new ATOM 0 HB2 GLU A 55 -12.519 -3.937 1.077 1.00 42.23 H new ATOM 0 HB3 GLU A 55 -13.078 -2.886 2.363 1.00 42.23 H new ATOM 0 HG2 GLU A 55 -10.379 -2.307 1.142 1.00 4.21 H new ATOM 0 HG3 GLU A 55 -11.807 -1.936 0.196 1.00 4.21 H new ATOM 834 N GLU A 56 -9.046 -4.885 2.526 1.00 52.42 N ATOM 835 CA GLU A 56 -7.956 -5.755 2.010 1.00 61.02 C ATOM 836 C GLU A 56 -7.869 -7.062 2.846 1.00 21.41 C ATOM 837 O GLU A 56 -7.343 -8.090 2.396 1.00 3.01 O ATOM 838 CB GLU A 56 -6.589 -4.988 2.105 1.00 50.43 C ATOM 839 CG GLU A 56 -5.528 -5.358 1.048 1.00 55.11 C ATOM 840 CD GLU A 56 -5.723 -4.603 -0.282 1.00 43.10 C ATOM 841 OE1 GLU A 56 -6.768 -4.792 -0.944 1.00 71.52 O ATOM 842 OE2 GLU A 56 -4.845 -3.794 -0.659 1.00 42.20 O ATOM 0 H GLU A 56 -8.719 -4.169 3.175 1.00 52.42 H new ATOM 0 HA GLU A 56 -8.168 -6.010 0.972 1.00 61.02 H new ATOM 0 HB2 GLU A 56 -6.789 -3.919 2.030 1.00 50.43 H new ATOM 0 HB3 GLU A 56 -6.165 -5.164 3.093 1.00 50.43 H new ATOM 0 HG2 GLU A 56 -4.536 -5.139 1.443 1.00 55.11 H new ATOM 0 HG3 GLU A 56 -5.567 -6.431 0.861 1.00 55.11 H new ATOM 849 N ILE A 57 -8.404 -6.980 4.084 1.00 71.32 N ATOM 850 CA ILE A 57 -8.229 -7.992 5.144 1.00 35.13 C ATOM 851 C ILE A 57 -9.590 -8.625 5.542 1.00 21.35 C ATOM 852 O ILE A 57 -10.582 -7.913 5.728 1.00 72.35 O ATOM 853 CB ILE A 57 -7.566 -7.313 6.404 1.00 10.31 C ATOM 854 CG1 ILE A 57 -6.183 -6.673 6.031 1.00 12.23 C ATOM 855 CG2 ILE A 57 -7.423 -8.312 7.572 1.00 31.30 C ATOM 856 CD1 ILE A 57 -5.510 -5.871 7.141 1.00 62.42 C ATOM 0 H ILE A 57 -8.981 -6.192 4.378 1.00 71.32 H new ATOM 0 HA ILE A 57 -7.585 -8.786 4.766 1.00 35.13 H new ATOM 0 HB ILE A 57 -8.227 -6.513 6.738 1.00 10.31 H new ATOM 0 HG12 ILE A 57 -5.506 -7.469 5.720 1.00 12.23 H new ATOM 0 HG13 ILE A 57 -6.325 -6.020 5.170 1.00 12.23 H new ATOM 0 HG21 ILE A 57 -6.963 -7.812 8.424 1.00 31.30 H new ATOM 0 HG22 ILE A 57 -8.408 -8.682 7.857 1.00 31.30 H new ATOM 0 HG23 ILE A 57 -6.797 -9.148 7.261 1.00 31.30 H new ATOM 0 HD11 ILE A 57 -4.562 -5.473 6.779 1.00 62.42 H new ATOM 0 HD12 ILE A 57 -6.159 -5.048 7.440 1.00 62.42 H new ATOM 0 HD13 ILE A 57 -5.327 -6.519 7.998 1.00 62.42 H new ATOM 868 N LYS A 58 -9.612 -9.963 5.699 1.00 51.14 N ATOM 869 CA LYS A 58 -10.820 -10.719 6.110 1.00 43.01 C ATOM 870 C LYS A 58 -11.159 -10.481 7.599 1.00 62.02 C ATOM 871 O LYS A 58 -12.253 -10.020 7.949 1.00 11.32 O ATOM 872 CB LYS A 58 -10.589 -12.233 5.868 1.00 23.01 C ATOM 873 CG LYS A 58 -11.754 -13.157 6.286 1.00 13.05 C ATOM 874 CD LYS A 58 -11.510 -14.633 5.905 1.00 12.40 C ATOM 875 CE LYS A 58 -10.226 -15.210 6.528 1.00 24.42 C ATOM 876 NZ LYS A 58 -10.027 -16.625 6.147 1.00 3.22 N ATOM 0 H LYS A 58 -8.795 -10.554 5.545 1.00 51.14 H new ATOM 0 HA LYS A 58 -11.660 -10.366 5.512 1.00 43.01 H new ATOM 0 HB2 LYS A 58 -10.388 -12.387 4.808 1.00 23.01 H new ATOM 0 HB3 LYS A 58 -9.694 -12.538 6.410 1.00 23.01 H new ATOM 0 HG2 LYS A 58 -11.902 -13.084 7.363 1.00 13.05 H new ATOM 0 HG3 LYS A 58 -12.674 -12.811 5.814 1.00 13.05 H new ATOM 0 HD2 LYS A 58 -12.363 -15.231 6.225 1.00 12.40 H new ATOM 0 HD3 LYS A 58 -11.451 -14.717 4.820 1.00 12.40 H new ATOM 0 HE2 LYS A 58 -9.367 -14.621 6.205 1.00 24.42 H new ATOM 0 HE3 LYS A 58 -10.279 -15.128 7.614 1.00 24.42 H new ATOM 0 HZ1 LYS A 58 -9.153 -16.982 6.584 1.00 3.22 H new ATOM 0 HZ2 LYS A 58 -10.835 -17.190 6.477 1.00 3.22 H new ATOM 0 HZ3 LYS A 58 -9.952 -16.699 5.112 1.00 3.22 H new ATOM 890 N ASP A 59 -10.180 -10.792 8.458 1.00 53.14 N ATOM 891 CA ASP A 59 -10.310 -10.747 9.934 1.00 74.21 C ATOM 892 C ASP A 59 -10.466 -9.313 10.502 1.00 63.32 C ATOM 893 O ASP A 59 -10.624 -9.147 11.720 1.00 61.03 O ATOM 894 CB ASP A 59 -9.101 -11.466 10.568 1.00 23.14 C ATOM 895 CG ASP A 59 -8.992 -12.923 10.102 1.00 72.13 C ATOM 896 OD1 ASP A 59 -8.528 -13.155 8.962 1.00 51.42 O ATOM 897 OD2 ASP A 59 -9.396 -13.833 10.851 1.00 24.14 O ATOM 0 H ASP A 59 -9.255 -11.089 8.148 1.00 53.14 H new ATOM 0 HA ASP A 59 -11.235 -11.261 10.196 1.00 74.21 H new ATOM 0 HB2 ASP A 59 -8.186 -10.933 10.310 1.00 23.14 H new ATOM 0 HB3 ASP A 59 -9.191 -11.438 11.654 1.00 23.14 H new ATOM 902 N ALA A 60 -10.370 -8.285 9.623 1.00 21.52 N ATOM 903 CA ALA A 60 -10.674 -6.882 9.974 1.00 22.23 C ATOM 904 C ALA A 60 -12.091 -6.729 10.576 1.00 22.44 C ATOM 905 O ALA A 60 -12.238 -6.221 11.685 1.00 75.22 O ATOM 906 CB ALA A 60 -10.489 -5.971 8.745 1.00 74.21 C ATOM 0 H ALA A 60 -10.080 -8.409 8.653 1.00 21.52 H new ATOM 0 HA ALA A 60 -9.969 -6.572 10.746 1.00 22.23 H new ATOM 0 HB1 ALA A 60 -10.716 -4.941 9.018 1.00 74.21 H new ATOM 0 HB2 ALA A 60 -9.458 -6.035 8.397 1.00 74.21 H new ATOM 0 HB3 ALA A 60 -11.161 -6.292 7.950 1.00 74.21 H new ATOM 912 N GLY A 61 -13.130 -7.184 9.845 1.00 10.05 N ATOM 913 CA GLY A 61 -14.522 -7.112 10.341 1.00 53.14 C ATOM 914 C GLY A 61 -15.064 -5.684 10.529 1.00 22.31 C ATOM 915 O GLY A 61 -16.022 -5.484 11.281 1.00 52.35 O ATOM 0 H GLY A 61 -13.034 -7.601 8.919 1.00 10.05 H new ATOM 0 HA2 GLY A 61 -15.170 -7.643 9.644 1.00 53.14 H new ATOM 0 HA3 GLY A 61 -14.581 -7.637 11.294 1.00 53.14 H new ATOM 919 N ASP A 62 -14.418 -4.704 9.860 1.00 42.13 N ATOM 920 CA ASP A 62 -14.667 -3.244 10.029 1.00 45.23 C ATOM 921 C ASP A 62 -14.350 -2.712 11.463 1.00 73.15 C ATOM 922 O ASP A 62 -14.801 -1.622 11.839 1.00 60.44 O ATOM 923 CB ASP A 62 -16.102 -2.852 9.578 1.00 23.04 C ATOM 924 CG ASP A 62 -16.332 -3.089 8.078 1.00 43.32 C ATOM 925 OD1 ASP A 62 -16.024 -2.187 7.266 1.00 35.11 O ATOM 926 OD2 ASP A 62 -16.802 -4.179 7.697 1.00 51.43 O ATOM 0 H ASP A 62 -13.692 -4.904 9.171 1.00 42.13 H new ATOM 0 HA ASP A 62 -13.957 -2.747 9.368 1.00 45.23 H new ATOM 0 HB2 ASP A 62 -16.829 -3.429 10.149 1.00 23.04 H new ATOM 0 HB3 ASP A 62 -16.277 -1.801 9.808 1.00 23.04 H new ATOM 931 N LYS A 63 -13.529 -3.457 12.235 1.00 51.10 N ATOM 932 CA LYS A 63 -13.037 -3.003 13.570 1.00 4.32 C ATOM 933 C LYS A 63 -11.611 -2.413 13.434 1.00 5.50 C ATOM 934 O LYS A 63 -10.903 -2.713 12.462 1.00 32.32 O ATOM 935 CB LYS A 63 -13.040 -4.177 14.610 1.00 24.24 C ATOM 936 CG LYS A 63 -11.797 -5.102 14.573 1.00 64.51 C ATOM 937 CD LYS A 63 -11.830 -6.221 15.633 1.00 43.43 C ATOM 938 CE LYS A 63 -10.561 -7.092 15.605 1.00 62.13 C ATOM 939 NZ LYS A 63 -9.323 -6.301 15.859 1.00 61.04 N ATOM 0 H LYS A 63 -13.188 -4.379 11.962 1.00 51.10 H new ATOM 0 HA LYS A 63 -13.714 -2.231 13.936 1.00 4.32 H new ATOM 0 HB2 LYS A 63 -13.127 -3.753 15.610 1.00 24.24 H new ATOM 0 HB3 LYS A 63 -13.929 -4.785 14.443 1.00 24.24 H new ATOM 0 HG2 LYS A 63 -11.719 -5.552 13.583 1.00 64.51 H new ATOM 0 HG3 LYS A 63 -10.901 -4.499 14.721 1.00 64.51 H new ATOM 0 HD2 LYS A 63 -11.941 -5.778 16.622 1.00 43.43 H new ATOM 0 HD3 LYS A 63 -12.704 -6.851 15.466 1.00 43.43 H new ATOM 0 HE2 LYS A 63 -10.647 -7.878 16.355 1.00 62.13 H new ATOM 0 HE3 LYS A 63 -10.482 -7.584 14.635 1.00 62.13 H new ATOM 0 HZ1 LYS A 63 -8.516 -6.758 15.389 1.00 61.04 H new ATOM 0 HZ2 LYS A 63 -9.443 -5.339 15.483 1.00 61.04 H new ATOM 0 HZ3 LYS A 63 -9.145 -6.253 16.883 1.00 61.04 H new ATOM 953 N THR A 64 -11.180 -1.602 14.417 1.00 73.41 N ATOM 954 CA THR A 64 -9.804 -1.051 14.438 1.00 43.13 C ATOM 955 C THR A 64 -8.805 -2.145 14.891 1.00 4.30 C ATOM 956 O THR A 64 -8.849 -2.604 16.042 1.00 54.31 O ATOM 957 CB THR A 64 -9.674 0.201 15.377 1.00 13.54 C ATOM 958 OG1 THR A 64 -10.673 1.181 15.046 1.00 30.23 O ATOM 959 CG2 THR A 64 -8.282 0.861 15.268 1.00 54.22 C ATOM 0 H THR A 64 -11.758 -1.312 15.206 1.00 73.41 H new ATOM 0 HA THR A 64 -9.572 -0.726 13.424 1.00 43.13 H new ATOM 0 HB THR A 64 -9.815 -0.153 16.398 1.00 13.54 H new ATOM 0 HG1 THR A 64 -10.581 1.955 15.640 1.00 30.23 H new ATOM 0 HG21 THR A 64 -8.235 1.723 15.934 1.00 54.22 H new ATOM 0 HG22 THR A 64 -7.515 0.141 15.552 1.00 54.22 H new ATOM 0 HG23 THR A 64 -8.113 1.186 14.241 1.00 54.22 H new ATOM 967 N LEU A 65 -7.958 -2.600 13.956 1.00 2.00 N ATOM 968 CA LEU A 65 -6.909 -3.602 14.232 1.00 63.13 C ATOM 969 C LEU A 65 -5.734 -2.956 15.016 1.00 12.23 C ATOM 970 O LEU A 65 -5.038 -2.077 14.499 1.00 14.41 O ATOM 971 CB LEU A 65 -6.423 -4.216 12.895 1.00 23.03 C ATOM 972 CG LEU A 65 -7.534 -4.829 11.980 1.00 61.02 C ATOM 973 CD1 LEU A 65 -6.960 -5.294 10.623 1.00 21.45 C ATOM 974 CD2 LEU A 65 -8.278 -5.973 12.701 1.00 74.44 C ATOM 0 H LEU A 65 -7.978 -2.286 12.986 1.00 2.00 H new ATOM 0 HA LEU A 65 -7.319 -4.398 14.853 1.00 63.13 H new ATOM 0 HB2 LEU A 65 -5.901 -3.443 12.331 1.00 23.03 H new ATOM 0 HB3 LEU A 65 -5.694 -4.994 13.119 1.00 23.03 H new ATOM 0 HG LEU A 65 -8.259 -4.043 11.770 1.00 61.02 H new ATOM 0 HD11 LEU A 65 -7.761 -5.714 10.014 1.00 21.45 H new ATOM 0 HD12 LEU A 65 -6.518 -4.443 10.104 1.00 21.45 H new ATOM 0 HD13 LEU A 65 -6.196 -6.053 10.792 1.00 21.45 H new ATOM 0 HD21 LEU A 65 -9.045 -6.381 12.042 1.00 74.44 H new ATOM 0 HD22 LEU A 65 -7.570 -6.759 12.964 1.00 74.44 H new ATOM 0 HD23 LEU A 65 -8.746 -5.588 13.607 1.00 74.44 H new ATOM 986 N GLN A 66 -5.547 -3.399 16.272 1.00 10.41 N ATOM 987 CA GLN A 66 -4.539 -2.826 17.205 1.00 11.34 C ATOM 988 C GLN A 66 -3.118 -3.395 16.937 1.00 34.20 C ATOM 989 O GLN A 66 -2.998 -4.538 16.502 1.00 21.21 O ATOM 990 CB GLN A 66 -4.961 -3.116 18.679 1.00 41.33 C ATOM 991 CG GLN A 66 -6.309 -2.498 19.100 1.00 2.43 C ATOM 992 CD GLN A 66 -6.338 -0.972 18.979 1.00 22.22 C ATOM 993 OE1 GLN A 66 -6.692 -0.424 17.939 1.00 25.04 O ATOM 994 NE2 GLN A 66 -5.965 -0.271 20.034 1.00 42.22 N ATOM 0 H GLN A 66 -6.087 -4.164 16.676 1.00 10.41 H new ATOM 0 HA GLN A 66 -4.501 -1.750 17.038 1.00 11.34 H new ATOM 0 HB2 GLN A 66 -5.012 -4.195 18.822 1.00 41.33 H new ATOM 0 HB3 GLN A 66 -4.183 -2.743 19.345 1.00 41.33 H new ATOM 0 HG2 GLN A 66 -7.103 -2.920 18.484 1.00 2.43 H new ATOM 0 HG3 GLN A 66 -6.523 -2.778 20.131 1.00 2.43 H new ATOM 0 HE21 GLN A 66 -5.675 -0.749 20.887 1.00 42.22 H new ATOM 0 HE22 GLN A 66 -5.967 0.748 19.996 1.00 42.22 H new ATOM 1003 N PRO A 67 -2.017 -2.592 17.165 1.00 11.30 N ATOM 1004 CA PRO A 67 -0.616 -3.105 17.112 1.00 35.45 C ATOM 1005 C PRO A 67 -0.390 -4.379 17.987 1.00 75.15 C ATOM 1006 O PRO A 67 -0.488 -4.333 19.218 1.00 65.41 O ATOM 1007 CB PRO A 67 0.224 -1.902 17.614 1.00 64.54 C ATOM 1008 CG PRO A 67 -0.597 -0.704 17.240 1.00 22.45 C ATOM 1009 CD PRO A 67 -2.045 -1.125 17.423 1.00 32.32 C ATOM 0 HA PRO A 67 -0.341 -3.436 16.110 1.00 35.45 H new ATOM 0 HB2 PRO A 67 0.389 -1.952 18.690 1.00 64.54 H new ATOM 0 HB3 PRO A 67 1.206 -1.876 17.142 1.00 64.54 H new ATOM 0 HG2 PRO A 67 -0.355 0.150 17.873 1.00 22.45 H new ATOM 0 HG3 PRO A 67 -0.404 -0.403 16.210 1.00 22.45 H new ATOM 0 HD2 PRO A 67 -2.404 -0.901 18.428 1.00 32.32 H new ATOM 0 HD3 PRO A 67 -2.704 -0.608 16.726 1.00 32.32 H new ATOM 1017 N GLY A 68 -0.086 -5.506 17.315 1.00 61.23 N ATOM 1018 CA GLY A 68 0.046 -6.828 17.961 1.00 13.31 C ATOM 1019 C GLY A 68 -1.043 -7.833 17.554 1.00 3.53 C ATOM 1020 O GLY A 68 -0.914 -9.031 17.830 1.00 24.44 O ATOM 0 H GLY A 68 0.075 -5.526 16.308 1.00 61.23 H new ATOM 0 HA2 GLY A 68 1.022 -7.246 17.715 1.00 13.31 H new ATOM 0 HA3 GLY A 68 0.019 -6.697 19.043 1.00 13.31 H new ATOM 1024 N ASP A 69 -2.127 -7.341 16.921 1.00 15.44 N ATOM 1025 CA ASP A 69 -3.238 -8.192 16.417 1.00 75.34 C ATOM 1026 C ASP A 69 -2.823 -8.941 15.127 1.00 74.33 C ATOM 1027 O ASP A 69 -2.141 -8.376 14.274 1.00 21.41 O ATOM 1028 CB ASP A 69 -4.494 -7.305 16.155 1.00 52.22 C ATOM 1029 CG ASP A 69 -5.794 -8.076 15.849 1.00 43.13 C ATOM 1030 OD1 ASP A 69 -5.927 -9.255 16.253 1.00 44.24 O ATOM 1031 OD2 ASP A 69 -6.723 -7.484 15.262 1.00 34.13 O ATOM 0 H ASP A 69 -2.262 -6.346 16.742 1.00 15.44 H new ATOM 0 HA ASP A 69 -3.477 -8.941 17.172 1.00 75.34 H new ATOM 0 HB2 ASP A 69 -4.662 -6.675 17.028 1.00 52.22 H new ATOM 0 HB3 ASP A 69 -4.280 -6.640 15.318 1.00 52.22 H new ATOM 1036 N GLN A 70 -3.261 -10.204 14.984 1.00 41.41 N ATOM 1037 CA GLN A 70 -2.941 -11.041 13.801 1.00 32.25 C ATOM 1038 C GLN A 70 -4.204 -11.297 12.946 1.00 52.31 C ATOM 1039 O GLN A 70 -5.269 -11.645 13.458 1.00 43.11 O ATOM 1040 CB GLN A 70 -2.249 -12.373 14.207 1.00 50.31 C ATOM 1041 CG GLN A 70 -2.961 -13.177 15.306 1.00 74.35 C ATOM 1042 CD GLN A 70 -2.240 -14.485 15.638 1.00 41.24 C ATOM 1043 OE1 GLN A 70 -2.561 -15.546 15.110 1.00 52.14 O ATOM 1044 NE2 GLN A 70 -1.205 -14.400 16.453 1.00 21.14 N ATOM 0 H GLN A 70 -3.843 -10.676 15.676 1.00 41.41 H new ATOM 0 HA GLN A 70 -2.230 -10.486 13.189 1.00 32.25 H new ATOM 0 HB2 GLN A 70 -2.160 -13.001 13.321 1.00 50.31 H new ATOM 0 HB3 GLN A 70 -1.236 -12.149 14.542 1.00 50.31 H new ATOM 0 HG2 GLN A 70 -3.034 -12.568 16.207 1.00 74.35 H new ATOM 0 HG3 GLN A 70 -3.980 -13.399 14.987 1.00 74.35 H new ATOM 0 HE21 GLN A 70 -0.962 -13.505 16.877 1.00 21.14 H new ATOM 0 HE22 GLN A 70 -0.648 -15.230 16.659 1.00 21.14 H new ATOM 1053 N VAL A 71 -4.047 -11.111 11.626 1.00 33.43 N ATOM 1054 CA VAL A 71 -5.132 -11.145 10.621 1.00 63.04 C ATOM 1055 C VAL A 71 -4.659 -11.866 9.329 1.00 20.11 C ATOM 1056 O VAL A 71 -3.462 -11.922 9.055 1.00 41.14 O ATOM 1057 CB VAL A 71 -5.588 -9.675 10.263 1.00 22.44 C ATOM 1058 CG1 VAL A 71 -6.293 -8.985 11.461 1.00 21.33 C ATOM 1059 CG2 VAL A 71 -4.389 -8.819 9.748 1.00 41.53 C ATOM 0 H VAL A 71 -3.134 -10.927 11.211 1.00 33.43 H new ATOM 0 HA VAL A 71 -5.973 -11.694 11.046 1.00 63.04 H new ATOM 0 HB VAL A 71 -6.316 -9.751 9.455 1.00 22.44 H new ATOM 0 HG11 VAL A 71 -6.592 -7.976 11.176 1.00 21.33 H new ATOM 0 HG12 VAL A 71 -7.176 -9.559 11.743 1.00 21.33 H new ATOM 0 HG13 VAL A 71 -5.607 -8.935 12.307 1.00 21.33 H new ATOM 0 HG21 VAL A 71 -4.736 -7.813 9.510 1.00 41.53 H new ATOM 0 HG22 VAL A 71 -3.622 -8.765 10.521 1.00 41.53 H new ATOM 0 HG23 VAL A 71 -3.971 -9.280 8.853 1.00 41.53 H new ATOM 1069 N ILE A 72 -5.603 -12.411 8.532 1.00 22.23 N ATOM 1070 CA ILE A 72 -5.282 -13.079 7.238 1.00 3.03 C ATOM 1071 C ILE A 72 -5.646 -12.134 6.052 1.00 73.41 C ATOM 1072 O ILE A 72 -6.716 -11.505 6.041 1.00 13.43 O ATOM 1073 CB ILE A 72 -6.003 -14.494 7.075 1.00 22.12 C ATOM 1074 CG1 ILE A 72 -5.463 -15.560 8.110 1.00 62.42 C ATOM 1075 CG2 ILE A 72 -5.869 -15.038 5.623 1.00 20.34 C ATOM 1076 CD1 ILE A 72 -5.877 -15.354 9.564 1.00 60.24 C ATOM 0 H ILE A 72 -6.598 -12.405 8.757 1.00 22.23 H new ATOM 0 HA ILE A 72 -4.210 -13.278 7.232 1.00 3.03 H new ATOM 0 HB ILE A 72 -7.059 -14.329 7.287 1.00 22.12 H new ATOM 0 HG12 ILE A 72 -5.801 -16.547 7.794 1.00 62.42 H new ATOM 0 HG13 ILE A 72 -4.374 -15.565 8.061 1.00 62.42 H new ATOM 0 HG21 ILE A 72 -6.371 -16.003 5.548 1.00 20.34 H new ATOM 0 HG22 ILE A 72 -6.328 -14.335 4.927 1.00 20.34 H new ATOM 0 HG23 ILE A 72 -4.814 -15.158 5.375 1.00 20.34 H new ATOM 0 HD11 ILE A 72 -5.448 -16.145 10.180 1.00 60.24 H new ATOM 0 HD12 ILE A 72 -5.515 -14.386 9.912 1.00 60.24 H new ATOM 0 HD13 ILE A 72 -6.964 -15.384 9.641 1.00 60.24 H new ATOM 1088 N LEU A 73 -4.735 -12.056 5.058 1.00 42.30 N ATOM 1089 CA LEU A 73 -4.867 -11.172 3.875 1.00 24.40 C ATOM 1090 C LEU A 73 -5.660 -11.866 2.733 1.00 32.53 C ATOM 1091 O LEU A 73 -5.269 -12.940 2.259 1.00 34.10 O ATOM 1092 CB LEU A 73 -3.447 -10.772 3.382 1.00 43.31 C ATOM 1093 CG LEU A 73 -2.525 -10.087 4.448 1.00 74.43 C ATOM 1094 CD1 LEU A 73 -1.107 -9.846 3.890 1.00 23.22 C ATOM 1095 CD2 LEU A 73 -3.152 -8.773 4.979 1.00 35.13 C ATOM 0 H LEU A 73 -3.878 -12.610 5.052 1.00 42.30 H new ATOM 0 HA LEU A 73 -5.425 -10.281 4.163 1.00 24.40 H new ATOM 0 HB2 LEU A 73 -2.944 -11.667 3.015 1.00 43.31 H new ATOM 0 HB3 LEU A 73 -3.554 -10.096 2.533 1.00 43.31 H new ATOM 0 HG LEU A 73 -2.436 -10.771 5.292 1.00 74.43 H new ATOM 0 HD11 LEU A 73 -0.492 -9.370 4.653 1.00 23.22 H new ATOM 0 HD12 LEU A 73 -0.661 -10.799 3.607 1.00 23.22 H new ATOM 0 HD13 LEU A 73 -1.165 -9.199 3.015 1.00 23.22 H new ATOM 0 HD21 LEU A 73 -2.486 -8.324 5.716 1.00 35.13 H new ATOM 0 HD22 LEU A 73 -3.297 -8.079 4.151 1.00 35.13 H new ATOM 0 HD23 LEU A 73 -4.114 -8.991 5.443 1.00 35.13 H new ATOM 1107 N GLU A 74 -6.789 -11.251 2.318 1.00 11.41 N ATOM 1108 CA GLU A 74 -7.611 -11.735 1.175 1.00 13.11 C ATOM 1109 C GLU A 74 -7.049 -11.287 -0.182 1.00 30.23 C ATOM 1110 O GLU A 74 -7.130 -12.023 -1.167 1.00 74.22 O ATOM 1111 CB GLU A 74 -9.082 -11.267 1.323 1.00 4.24 C ATOM 1112 CG GLU A 74 -9.873 -12.003 2.415 1.00 12.25 C ATOM 1113 CD GLU A 74 -10.136 -13.494 2.101 1.00 75.22 C ATOM 1114 OE1 GLU A 74 -9.228 -14.334 2.287 1.00 53.42 O ATOM 1115 OE2 GLU A 74 -11.254 -13.832 1.653 1.00 12.14 O ATOM 0 H GLU A 74 -7.159 -10.409 2.760 1.00 11.41 H new ATOM 0 HA GLU A 74 -7.575 -12.824 1.199 1.00 13.11 H new ATOM 0 HB2 GLU A 74 -9.091 -10.199 1.542 1.00 4.24 H new ATOM 0 HB3 GLU A 74 -9.591 -11.401 0.369 1.00 4.24 H new ATOM 0 HG2 GLU A 74 -9.328 -11.931 3.356 1.00 12.25 H new ATOM 0 HG3 GLU A 74 -10.828 -11.498 2.561 1.00 12.25 H new ATOM 1122 N ALA A 75 -6.513 -10.066 -0.237 1.00 3.44 N ATOM 1123 CA ALA A 75 -5.867 -9.544 -1.453 1.00 62.43 C ATOM 1124 C ALA A 75 -4.404 -10.010 -1.550 1.00 52.41 C ATOM 1125 O ALA A 75 -3.812 -10.473 -0.561 1.00 4.13 O ATOM 1126 CB ALA A 75 -5.945 -8.015 -1.474 1.00 71.50 C ATOM 0 H ALA A 75 -6.511 -9.414 0.548 1.00 3.44 H new ATOM 0 HA ALA A 75 -6.400 -9.938 -2.318 1.00 62.43 H new ATOM 0 HB1 ALA A 75 -5.465 -7.639 -2.377 1.00 71.50 H new ATOM 0 HB2 ALA A 75 -6.990 -7.704 -1.462 1.00 71.50 H new ATOM 0 HB3 ALA A 75 -5.436 -7.613 -0.598 1.00 71.50 H new ATOM 1132 N SER A 76 -3.816 -9.864 -2.743 1.00 55.33 N ATOM 1133 CA SER A 76 -2.396 -10.180 -2.971 1.00 63.21 C ATOM 1134 C SER A 76 -1.793 -9.174 -3.970 1.00 23.40 C ATOM 1135 O SER A 76 -2.296 -9.009 -5.084 1.00 42.00 O ATOM 1136 CB SER A 76 -2.238 -11.631 -3.504 1.00 3.54 C ATOM 1137 OG SER A 76 -2.848 -11.811 -4.777 1.00 2.54 O ATOM 0 H SER A 76 -4.304 -9.527 -3.573 1.00 55.33 H new ATOM 0 HA SER A 76 -1.862 -10.105 -2.024 1.00 63.21 H new ATOM 0 HB2 SER A 76 -1.178 -11.876 -3.574 1.00 3.54 H new ATOM 0 HB3 SER A 76 -2.680 -12.327 -2.791 1.00 3.54 H new ATOM 0 HG SER A 76 -2.798 -10.974 -5.285 1.00 2.54 H new ATOM 1143 N HIS A 77 -0.702 -8.513 -3.557 1.00 21.43 N ATOM 1144 CA HIS A 77 0.074 -7.590 -4.414 1.00 71.45 C ATOM 1145 C HIS A 77 1.222 -8.348 -5.134 1.00 42.41 C ATOM 1146 O HIS A 77 1.930 -7.777 -5.967 1.00 14.12 O ATOM 1147 CB HIS A 77 0.623 -6.424 -3.539 1.00 13.45 C ATOM 1148 CG HIS A 77 -0.455 -5.565 -2.886 1.00 52.22 C ATOM 1149 ND1 HIS A 77 -0.573 -4.228 -3.175 1.00 33.14 N ATOM 1150 CD2 HIS A 77 -1.411 -5.890 -1.966 1.00 52.52 C ATOM 1151 CE1 HIS A 77 -1.572 -3.773 -2.437 1.00 24.00 C ATOM 1152 NE2 HIS A 77 -2.108 -4.743 -1.692 1.00 53.33 N ATOM 0 H HIS A 77 -0.326 -8.601 -2.613 1.00 21.43 H new ATOM 0 HA HIS A 77 -0.573 -7.175 -5.187 1.00 71.45 H new ATOM 0 HB2 HIS A 77 1.261 -6.840 -2.759 1.00 13.45 H new ATOM 0 HB3 HIS A 77 1.253 -5.786 -4.159 1.00 13.45 H new ATOM 0 HD2 HIS A 77 -1.584 -6.866 -1.536 1.00 52.52 H new ATOM 0 HE1 HIS A 77 -1.911 -2.748 -2.437 1.00 24.00 H new ATOM 0 HE2 HIS A 77 -2.888 -4.648 -1.042 1.00 53.33 H new ATOM 1160 N MET A 78 1.373 -9.650 -4.800 1.00 0.55 N ATOM 1161 CA MET A 78 2.432 -10.534 -5.342 1.00 33.42 C ATOM 1162 C MET A 78 2.104 -12.030 -5.076 1.00 55.33 C ATOM 1163 O MET A 78 1.117 -12.350 -4.400 1.00 74.14 O ATOM 1164 CB MET A 78 3.804 -10.157 -4.718 1.00 31.32 C ATOM 1165 CG MET A 78 3.826 -10.159 -3.186 1.00 20.35 C ATOM 1166 SD MET A 78 5.439 -9.691 -2.538 1.00 0.20 S ATOM 1167 CE MET A 78 5.095 -9.577 -0.790 1.00 31.21 C ATOM 0 H MET A 78 0.756 -10.122 -4.139 1.00 0.55 H new ATOM 0 HA MET A 78 2.481 -10.392 -6.422 1.00 33.42 H new ATOM 0 HB2 MET A 78 4.558 -10.855 -5.081 1.00 31.32 H new ATOM 0 HB3 MET A 78 4.090 -9.167 -5.072 1.00 31.32 H new ATOM 0 HG2 MET A 78 3.070 -9.469 -2.811 1.00 20.35 H new ATOM 0 HG3 MET A 78 3.562 -11.151 -2.820 1.00 20.35 H new ATOM 0 HE1 MET A 78 5.946 -9.126 -0.280 1.00 31.21 H new ATOM 0 HE2 MET A 78 4.210 -8.961 -0.633 1.00 31.21 H new ATOM 0 HE3 MET A 78 4.918 -10.575 -0.388 1.00 31.21 H new ATOM 1177 N LYS A 79 2.954 -12.936 -5.602 1.00 60.44 N ATOM 1178 CA LYS A 79 2.759 -14.402 -5.484 1.00 31.22 C ATOM 1179 C LYS A 79 3.231 -14.927 -4.099 1.00 1.10 C ATOM 1180 O LYS A 79 4.418 -14.837 -3.767 1.00 22.15 O ATOM 1181 CB LYS A 79 3.517 -15.133 -6.631 1.00 74.31 C ATOM 1182 CG LYS A 79 3.098 -14.711 -8.061 1.00 72.20 C ATOM 1183 CD LYS A 79 3.781 -15.557 -9.169 1.00 60.24 C ATOM 1184 CE LYS A 79 5.317 -15.403 -9.204 1.00 12.13 C ATOM 1185 NZ LYS A 79 5.744 -14.009 -9.510 1.00 54.45 N ATOM 0 H LYS A 79 3.794 -12.676 -6.120 1.00 60.44 H new ATOM 0 HA LYS A 79 1.693 -14.611 -5.570 1.00 31.22 H new ATOM 0 HB2 LYS A 79 4.586 -14.953 -6.513 1.00 74.31 H new ATOM 0 HB3 LYS A 79 3.361 -16.206 -6.524 1.00 74.31 H new ATOM 0 HG2 LYS A 79 2.016 -14.801 -8.158 1.00 72.20 H new ATOM 0 HG3 LYS A 79 3.345 -13.660 -8.210 1.00 72.20 H new ATOM 0 HD2 LYS A 79 3.533 -16.607 -9.018 1.00 60.24 H new ATOM 0 HD3 LYS A 79 3.373 -15.269 -10.138 1.00 60.24 H new ATOM 0 HE2 LYS A 79 5.731 -15.703 -8.241 1.00 12.13 H new ATOM 0 HE3 LYS A 79 5.730 -16.079 -9.953 1.00 12.13 H new ATOM 0 HZ1 LYS A 79 6.781 -13.969 -9.572 1.00 54.45 H new ATOM 0 HZ2 LYS A 79 5.331 -13.711 -10.417 1.00 54.45 H new ATOM 0 HZ3 LYS A 79 5.418 -13.372 -8.755 1.00 54.45 H new ATOM 1199 N GLY A 80 2.285 -15.466 -3.300 1.00 72.34 N ATOM 1200 CA GLY A 80 2.582 -16.024 -1.961 1.00 61.42 C ATOM 1201 C GLY A 80 1.986 -15.208 -0.802 1.00 22.50 C ATOM 1202 O GLY A 80 2.083 -15.617 0.362 1.00 75.33 O ATOM 0 H GLY A 80 1.301 -15.527 -3.561 1.00 72.34 H new ATOM 0 HA2 GLY A 80 2.199 -17.043 -1.910 1.00 61.42 H new ATOM 0 HA3 GLY A 80 3.663 -16.082 -1.834 1.00 61.42 H new ATOM 1206 N MET A 81 1.339 -14.071 -1.124 1.00 2.11 N ATOM 1207 CA MET A 81 0.837 -13.099 -0.120 1.00 11.12 C ATOM 1208 C MET A 81 -0.542 -13.502 0.476 1.00 73.34 C ATOM 1209 O MET A 81 -0.723 -13.485 1.701 1.00 54.25 O ATOM 1210 CB MET A 81 0.755 -11.689 -0.763 1.00 10.34 C ATOM 1211 CG MET A 81 0.278 -10.583 0.181 1.00 13.03 C ATOM 1212 SD MET A 81 0.293 -8.960 -0.605 1.00 41.23 S ATOM 1213 CE MET A 81 -0.190 -7.915 0.764 1.00 21.42 C ATOM 0 H MET A 81 1.147 -13.796 -2.087 1.00 2.11 H new ATOM 0 HA MET A 81 1.543 -13.093 0.710 1.00 11.12 H new ATOM 0 HB2 MET A 81 1.740 -11.421 -1.146 1.00 10.34 H new ATOM 0 HB3 MET A 81 0.081 -11.733 -1.619 1.00 10.34 H new ATOM 0 HG2 MET A 81 -0.732 -10.810 0.522 1.00 13.03 H new ATOM 0 HG3 MET A 81 0.916 -10.562 1.065 1.00 13.03 H new ATOM 0 HE1 MET A 81 -0.191 -6.873 0.444 1.00 21.42 H new ATOM 0 HE2 MET A 81 -1.189 -8.193 1.099 1.00 21.42 H new ATOM 0 HE3 MET A 81 0.516 -8.041 1.585 1.00 21.42 H new ATOM 1223 N LYS A 82 -1.519 -13.814 -0.401 1.00 51.14 N ATOM 1224 CA LYS A 82 -2.888 -14.208 0.024 1.00 64.04 C ATOM 1225 C LYS A 82 -2.883 -15.527 0.841 1.00 31.11 C ATOM 1226 O LYS A 82 -2.315 -16.533 0.406 1.00 14.54 O ATOM 1227 CB LYS A 82 -3.824 -14.352 -1.206 1.00 23.12 C ATOM 1228 CG LYS A 82 -5.261 -14.810 -0.859 1.00 25.35 C ATOM 1229 CD LYS A 82 -6.169 -14.977 -2.096 1.00 44.21 C ATOM 1230 CE LYS A 82 -7.572 -15.507 -1.726 1.00 42.31 C ATOM 1231 NZ LYS A 82 -8.258 -14.653 -0.713 1.00 61.23 N ATOM 0 H LYS A 82 -1.389 -13.802 -1.413 1.00 51.14 H new ATOM 0 HA LYS A 82 -3.264 -13.414 0.670 1.00 64.04 H new ATOM 0 HB2 LYS A 82 -3.875 -13.394 -1.724 1.00 23.12 H new ATOM 0 HB3 LYS A 82 -3.385 -15.067 -1.901 1.00 23.12 H new ATOM 0 HG2 LYS A 82 -5.212 -15.758 -0.323 1.00 25.35 H new ATOM 0 HG3 LYS A 82 -5.712 -14.084 -0.182 1.00 25.35 H new ATOM 0 HD2 LYS A 82 -6.268 -14.018 -2.604 1.00 44.21 H new ATOM 0 HD3 LYS A 82 -5.698 -15.663 -2.800 1.00 44.21 H new ATOM 0 HE2 LYS A 82 -8.185 -15.561 -2.626 1.00 42.31 H new ATOM 0 HE3 LYS A 82 -7.483 -16.522 -1.340 1.00 42.31 H new ATOM 0 HZ1 LYS A 82 -9.285 -14.676 -0.878 1.00 61.23 H new ATOM 0 HZ2 LYS A 82 -8.052 -15.013 0.241 1.00 61.23 H new ATOM 0 HZ3 LYS A 82 -7.916 -13.674 -0.795 1.00 61.23 H new ATOM 1245 N GLY A 83 -3.526 -15.505 2.024 1.00 50.11 N ATOM 1246 CA GLY A 83 -3.582 -16.678 2.912 1.00 13.24 C ATOM 1247 C GLY A 83 -2.510 -16.658 4.009 1.00 33.33 C ATOM 1248 O GLY A 83 -2.559 -17.469 4.939 1.00 0.23 O ATOM 0 H GLY A 83 -4.014 -14.686 2.386 1.00 50.11 H new ATOM 0 HA2 GLY A 83 -4.567 -16.727 3.376 1.00 13.24 H new ATOM 0 HA3 GLY A 83 -3.465 -17.583 2.316 1.00 13.24 H new ATOM 1252 N ALA A 84 -1.542 -15.724 3.906 1.00 3.32 N ATOM 1253 CA ALA A 84 -0.461 -15.570 4.904 1.00 23.15 C ATOM 1254 C ALA A 84 -0.960 -14.862 6.186 1.00 73.34 C ATOM 1255 O ALA A 84 -1.817 -13.967 6.128 1.00 4.21 O ATOM 1256 CB ALA A 84 0.731 -14.810 4.292 1.00 53.05 C ATOM 0 H ALA A 84 -1.487 -15.059 3.135 1.00 3.32 H new ATOM 0 HA ALA A 84 -0.131 -16.569 5.191 1.00 23.15 H new ATOM 0 HB1 ALA A 84 1.518 -14.705 5.039 1.00 53.05 H new ATOM 0 HB2 ALA A 84 1.115 -15.365 3.436 1.00 53.05 H new ATOM 0 HB3 ALA A 84 0.405 -13.822 3.967 1.00 53.05 H new ATOM 1262 N THR A 85 -0.391 -15.269 7.337 1.00 2.53 N ATOM 1263 CA THR A 85 -0.723 -14.689 8.657 1.00 43.35 C ATOM 1264 C THR A 85 0.111 -13.411 8.884 1.00 1.32 C ATOM 1265 O THR A 85 1.340 -13.472 8.971 1.00 31.22 O ATOM 1266 CB THR A 85 -0.467 -15.703 9.826 1.00 62.33 C ATOM 1267 OG1 THR A 85 -1.248 -16.898 9.616 1.00 3.02 O ATOM 1268 CG2 THR A 85 -0.809 -15.093 11.210 1.00 53.24 C ATOM 0 H THR A 85 0.311 -16.008 7.380 1.00 2.53 H new ATOM 0 HA THR A 85 -1.786 -14.448 8.657 1.00 43.35 H new ATOM 0 HB THR A 85 0.596 -15.946 9.824 1.00 62.33 H new ATOM 0 HG1 THR A 85 -1.084 -17.529 10.348 1.00 3.02 H new ATOM 0 HG21 THR A 85 -0.617 -15.830 11.990 1.00 53.24 H new ATOM 0 HG22 THR A 85 -0.190 -14.212 11.382 1.00 53.24 H new ATOM 0 HG23 THR A 85 -1.861 -14.808 11.232 1.00 53.24 H new ATOM 1276 N ALA A 86 -0.584 -12.276 9.011 1.00 71.31 N ATOM 1277 CA ALA A 86 0.014 -10.932 9.129 1.00 55.31 C ATOM 1278 C ALA A 86 -0.215 -10.379 10.544 1.00 22.42 C ATOM 1279 O ALA A 86 -1.214 -10.695 11.168 1.00 3.23 O ATOM 1280 CB ALA A 86 -0.601 -9.997 8.069 1.00 62.35 C ATOM 0 H ALA A 86 -1.604 -12.261 9.036 1.00 71.31 H new ATOM 0 HA ALA A 86 1.088 -10.995 8.956 1.00 55.31 H new ATOM 0 HB1 ALA A 86 -0.158 -9.005 8.158 1.00 62.35 H new ATOM 0 HB2 ALA A 86 -0.403 -10.395 7.074 1.00 62.35 H new ATOM 0 HB3 ALA A 86 -1.678 -9.929 8.225 1.00 62.35 H new ATOM 1286 N GLU A 87 0.707 -9.551 11.043 1.00 14.31 N ATOM 1287 CA GLU A 87 0.584 -8.915 12.375 1.00 2.33 C ATOM 1288 C GLU A 87 0.720 -7.392 12.230 1.00 63.34 C ATOM 1289 O GLU A 87 1.640 -6.909 11.564 1.00 5.52 O ATOM 1290 CB GLU A 87 1.654 -9.457 13.364 1.00 30.11 C ATOM 1291 CG GLU A 87 1.575 -8.851 14.783 1.00 20.24 C ATOM 1292 CD GLU A 87 2.722 -9.311 15.695 1.00 52.21 C ATOM 1293 OE1 GLU A 87 3.821 -8.726 15.618 1.00 32.22 O ATOM 1294 OE2 GLU A 87 2.540 -10.269 16.471 1.00 32.33 O ATOM 0 H GLU A 87 1.560 -9.298 10.544 1.00 14.31 H new ATOM 0 HA GLU A 87 -0.397 -9.159 12.783 1.00 2.33 H new ATOM 0 HB2 GLU A 87 1.548 -10.539 13.438 1.00 30.11 H new ATOM 0 HB3 GLU A 87 2.644 -9.261 12.953 1.00 30.11 H new ATOM 0 HG2 GLU A 87 1.590 -7.764 14.709 1.00 20.24 H new ATOM 0 HG3 GLU A 87 0.623 -9.127 15.238 1.00 20.24 H new ATOM 1301 N ILE A 88 -0.205 -6.652 12.859 1.00 2.42 N ATOM 1302 CA ILE A 88 -0.246 -5.178 12.806 1.00 73.03 C ATOM 1303 C ILE A 88 0.977 -4.578 13.544 1.00 31.51 C ATOM 1304 O ILE A 88 1.082 -4.679 14.767 1.00 4.10 O ATOM 1305 CB ILE A 88 -1.581 -4.621 13.448 1.00 65.01 C ATOM 1306 CG1 ILE A 88 -2.845 -5.339 12.868 1.00 71.15 C ATOM 1307 CG2 ILE A 88 -1.699 -3.078 13.290 1.00 25.23 C ATOM 1308 CD1 ILE A 88 -3.081 -5.144 11.379 1.00 72.11 C ATOM 0 H ILE A 88 -0.951 -7.059 13.423 1.00 2.42 H new ATOM 0 HA ILE A 88 -0.216 -4.881 11.758 1.00 73.03 H new ATOM 0 HB ILE A 88 -1.533 -4.841 14.514 1.00 65.01 H new ATOM 0 HG12 ILE A 88 -2.759 -6.407 13.068 1.00 71.15 H new ATOM 0 HG13 ILE A 88 -3.723 -4.984 13.407 1.00 71.15 H new ATOM 0 HG21 ILE A 88 -2.629 -2.736 13.744 1.00 25.23 H new ATOM 0 HG22 ILE A 88 -0.855 -2.596 13.784 1.00 25.23 H new ATOM 0 HG23 ILE A 88 -1.695 -2.819 12.231 1.00 25.23 H new ATOM 0 HD11 ILE A 88 -3.980 -5.682 11.080 1.00 72.11 H new ATOM 0 HD12 ILE A 88 -3.206 -4.082 11.166 1.00 72.11 H new ATOM 0 HD13 ILE A 88 -2.226 -5.528 10.822 1.00 72.11 H new ATOM 1320 N ASP A 89 1.912 -3.998 12.787 1.00 65.54 N ATOM 1321 CA ASP A 89 3.044 -3.238 13.344 1.00 74.12 C ATOM 1322 C ASP A 89 2.567 -1.829 13.774 1.00 63.24 C ATOM 1323 O ASP A 89 2.979 -1.299 14.814 1.00 61.22 O ATOM 1324 CB ASP A 89 4.174 -3.105 12.290 1.00 65.12 C ATOM 1325 CG ASP A 89 4.684 -4.454 11.764 1.00 22.53 C ATOM 1326 OD1 ASP A 89 5.287 -5.211 12.551 1.00 65.45 O ATOM 1327 OD2 ASP A 89 4.526 -4.744 10.563 1.00 53.42 O ATOM 0 H ASP A 89 1.909 -4.040 11.768 1.00 65.54 H new ATOM 0 HA ASP A 89 3.431 -3.772 14.212 1.00 74.12 H new ATOM 0 HB2 ASP A 89 3.810 -2.512 11.451 1.00 65.12 H new ATOM 0 HB3 ASP A 89 5.007 -2.557 12.730 1.00 65.12 H new ATOM 1332 N SER A 90 1.664 -1.248 12.957 1.00 62.41 N ATOM 1333 CA SER A 90 1.161 0.127 13.149 1.00 44.12 C ATOM 1334 C SER A 90 -0.238 0.308 12.512 1.00 54.44 C ATOM 1335 O SER A 90 -0.516 -0.225 11.429 1.00 10.40 O ATOM 1336 CB SER A 90 2.159 1.145 12.537 1.00 71.55 C ATOM 1337 OG SER A 90 1.734 2.491 12.722 1.00 70.41 O ATOM 0 H SER A 90 1.264 -1.719 12.146 1.00 62.41 H new ATOM 0 HA SER A 90 1.069 0.308 14.220 1.00 44.12 H new ATOM 0 HB2 SER A 90 3.140 1.009 12.993 1.00 71.55 H new ATOM 0 HB3 SER A 90 2.273 0.945 11.472 1.00 71.55 H new ATOM 0 HG SER A 90 2.391 3.099 12.324 1.00 70.41 H new ATOM 1343 N ALA A 91 -1.109 1.066 13.205 1.00 24.21 N ATOM 1344 CA ALA A 91 -2.448 1.450 12.706 1.00 12.41 C ATOM 1345 C ALA A 91 -2.418 2.935 12.280 1.00 3.33 C ATOM 1346 O ALA A 91 -1.933 3.784 13.035 1.00 75.13 O ATOM 1347 CB ALA A 91 -3.512 1.200 13.794 1.00 52.55 C ATOM 0 H ALA A 91 -0.904 1.433 14.134 1.00 24.21 H new ATOM 0 HA ALA A 91 -2.712 0.842 11.841 1.00 12.41 H new ATOM 0 HB1 ALA A 91 -4.493 1.486 13.416 1.00 52.55 H new ATOM 0 HB2 ALA A 91 -3.520 0.143 14.059 1.00 52.55 H new ATOM 0 HB3 ALA A 91 -3.276 1.794 14.677 1.00 52.55 H new ATOM 1353 N GLU A 92 -2.935 3.249 11.081 1.00 35.11 N ATOM 1354 CA GLU A 92 -2.756 4.583 10.454 1.00 5.11 C ATOM 1355 C GLU A 92 -4.082 5.172 9.906 1.00 53.31 C ATOM 1356 O GLU A 92 -4.904 4.457 9.323 1.00 43.51 O ATOM 1357 CB GLU A 92 -1.711 4.440 9.311 1.00 15.30 C ATOM 1358 CG GLU A 92 -1.372 5.728 8.539 1.00 1.33 C ATOM 1359 CD GLU A 92 -0.713 6.812 9.402 1.00 74.52 C ATOM 1360 OE1 GLU A 92 0.486 6.673 9.730 1.00 34.12 O ATOM 1361 OE2 GLU A 92 -1.383 7.813 9.748 1.00 54.43 O ATOM 0 H GLU A 92 -3.484 2.599 10.519 1.00 35.11 H new ATOM 0 HA GLU A 92 -2.409 5.281 11.216 1.00 5.11 H new ATOM 0 HB2 GLU A 92 -0.790 4.042 9.736 1.00 15.30 H new ATOM 0 HB3 GLU A 92 -2.079 3.700 8.600 1.00 15.30 H new ATOM 0 HG2 GLU A 92 -0.706 5.480 7.712 1.00 1.33 H new ATOM 0 HG3 GLU A 92 -2.286 6.130 8.103 1.00 1.33 H new ATOM 1368 N LYS A 93 -4.273 6.491 10.110 1.00 21.54 N ATOM 1369 CA LYS A 93 -5.348 7.281 9.471 1.00 14.12 C ATOM 1370 C LYS A 93 -4.727 8.268 8.458 1.00 23.23 C ATOM 1371 O LYS A 93 -4.268 9.358 8.824 1.00 2.31 O ATOM 1372 CB LYS A 93 -6.179 8.038 10.544 1.00 63.34 C ATOM 1373 CG LYS A 93 -7.132 7.150 11.369 1.00 60.42 C ATOM 1374 CD LYS A 93 -8.249 6.520 10.505 1.00 30.41 C ATOM 1375 CE LYS A 93 -9.268 5.733 11.336 1.00 24.03 C ATOM 1376 NZ LYS A 93 -10.358 5.191 10.492 1.00 12.02 N ATOM 0 H LYS A 93 -3.680 7.044 10.729 1.00 21.54 H new ATOM 0 HA LYS A 93 -6.023 6.609 8.941 1.00 14.12 H new ATOM 0 HB2 LYS A 93 -5.493 8.542 11.225 1.00 63.34 H new ATOM 0 HB3 LYS A 93 -6.764 8.813 10.050 1.00 63.34 H new ATOM 0 HG2 LYS A 93 -6.559 6.358 11.851 1.00 60.42 H new ATOM 0 HG3 LYS A 93 -7.583 7.746 12.163 1.00 60.42 H new ATOM 0 HD2 LYS A 93 -8.765 7.307 9.956 1.00 30.41 H new ATOM 0 HD3 LYS A 93 -7.800 5.857 9.765 1.00 30.41 H new ATOM 0 HE2 LYS A 93 -8.764 4.915 11.851 1.00 24.03 H new ATOM 0 HE3 LYS A 93 -9.690 6.381 12.104 1.00 24.03 H new ATOM 0 HZ1 LYS A 93 -11.105 4.798 11.100 1.00 12.02 H new ATOM 0 HZ2 LYS A 93 -10.754 5.953 9.905 1.00 12.02 H new ATOM 0 HZ3 LYS A 93 -9.981 4.441 9.878 1.00 12.02 H new ATOM 1390 N THR A 94 -4.692 7.849 7.188 1.00 10.03 N ATOM 1391 CA THR A 94 -4.081 8.614 6.078 1.00 31.43 C ATOM 1392 C THR A 94 -4.971 8.560 4.819 1.00 31.23 C ATOM 1393 O THR A 94 -5.798 7.647 4.675 1.00 2.21 O ATOM 1394 CB THR A 94 -2.658 8.067 5.740 1.00 2.33 C ATOM 1395 OG1 THR A 94 -2.035 8.862 4.716 1.00 22.52 O ATOM 1396 CG2 THR A 94 -2.693 6.588 5.300 1.00 45.32 C ATOM 0 H THR A 94 -5.091 6.958 6.891 1.00 10.03 H new ATOM 0 HA THR A 94 -3.991 9.651 6.403 1.00 31.43 H new ATOM 0 HB THR A 94 -2.070 8.132 6.656 1.00 2.33 H new ATOM 0 HG1 THR A 94 -1.133 9.117 5.003 1.00 22.52 H new ATOM 0 HG21 THR A 94 -1.681 6.251 5.075 1.00 45.32 H new ATOM 0 HG22 THR A 94 -3.108 5.979 6.103 1.00 45.32 H new ATOM 0 HG23 THR A 94 -3.315 6.488 4.410 1.00 45.32 H new ATOM 1404 N THR A 95 -4.816 9.544 3.918 1.00 72.13 N ATOM 1405 CA THR A 95 -5.478 9.505 2.600 1.00 20.21 C ATOM 1406 C THR A 95 -4.588 8.693 1.634 1.00 22.53 C ATOM 1407 O THR A 95 -3.430 9.067 1.388 1.00 63.11 O ATOM 1408 CB THR A 95 -5.734 10.940 2.014 1.00 23.42 C ATOM 1409 OG1 THR A 95 -6.351 11.777 3.008 1.00 64.15 O ATOM 1410 CG2 THR A 95 -6.639 10.900 0.764 1.00 34.14 C ATOM 0 H THR A 95 -4.242 10.372 4.075 1.00 72.13 H new ATOM 0 HA THR A 95 -6.455 9.036 2.719 1.00 20.21 H new ATOM 0 HB THR A 95 -4.765 11.347 1.725 1.00 23.42 H new ATOM 0 HG1 THR A 95 -6.505 12.670 2.634 1.00 64.15 H new ATOM 0 HG21 THR A 95 -6.790 11.913 0.392 1.00 34.14 H new ATOM 0 HG22 THR A 95 -6.165 10.296 -0.009 1.00 34.14 H new ATOM 0 HG23 THR A 95 -7.602 10.462 1.026 1.00 34.14 H new ATOM 1418 N VAL A 96 -5.121 7.582 1.095 1.00 3.22 N ATOM 1419 CA VAL A 96 -4.362 6.680 0.203 1.00 63.14 C ATOM 1420 C VAL A 96 -4.848 6.858 -1.248 1.00 53.01 C ATOM 1421 O VAL A 96 -6.045 6.872 -1.525 1.00 1.45 O ATOM 1422 CB VAL A 96 -4.453 5.166 0.648 1.00 33.44 C ATOM 1423 CG1 VAL A 96 -3.647 4.918 1.944 1.00 54.20 C ATOM 1424 CG2 VAL A 96 -5.918 4.689 0.813 1.00 4.01 C ATOM 0 H VAL A 96 -6.082 7.284 1.262 1.00 3.22 H new ATOM 0 HA VAL A 96 -3.310 6.956 0.271 1.00 63.14 H new ATOM 0 HB VAL A 96 -4.010 4.574 -0.153 1.00 33.44 H new ATOM 0 HG11 VAL A 96 -3.727 3.868 2.227 1.00 54.20 H new ATOM 0 HG12 VAL A 96 -2.600 5.169 1.775 1.00 54.20 H new ATOM 0 HG13 VAL A 96 -4.045 5.541 2.745 1.00 54.20 H new ATOM 0 HG21 VAL A 96 -5.928 3.643 1.119 1.00 4.01 H new ATOM 0 HG22 VAL A 96 -6.414 5.294 1.572 1.00 4.01 H new ATOM 0 HG23 VAL A 96 -6.444 4.794 -0.136 1.00 4.01 H new ATOM 1434 N TYR A 97 -3.898 6.994 -2.167 1.00 21.34 N ATOM 1435 CA TYR A 97 -4.158 7.337 -3.568 1.00 62.33 C ATOM 1436 C TYR A 97 -3.833 6.157 -4.500 1.00 44.21 C ATOM 1437 O TYR A 97 -2.858 5.420 -4.295 1.00 31.24 O ATOM 1438 CB TYR A 97 -3.312 8.578 -3.971 1.00 12.14 C ATOM 1439 CG TYR A 97 -3.565 9.831 -3.109 1.00 42.05 C ATOM 1440 CD1 TYR A 97 -4.627 10.692 -3.387 1.00 3.55 C ATOM 1441 CD2 TYR A 97 -2.747 10.145 -2.015 1.00 54.45 C ATOM 1442 CE1 TYR A 97 -4.862 11.816 -2.618 1.00 51.32 C ATOM 1443 CE2 TYR A 97 -2.980 11.271 -1.245 1.00 13.15 C ATOM 1444 CZ TYR A 97 -4.039 12.102 -1.549 1.00 61.12 C ATOM 1445 OH TYR A 97 -4.271 13.235 -0.791 1.00 23.04 O ATOM 0 H TYR A 97 -2.907 6.868 -1.960 1.00 21.34 H new ATOM 0 HA TYR A 97 -5.218 7.568 -3.671 1.00 62.33 H new ATOM 0 HB2 TYR A 97 -2.255 8.317 -3.909 1.00 12.14 H new ATOM 0 HB3 TYR A 97 -3.520 8.821 -5.013 1.00 12.14 H new ATOM 0 HD1 TYR A 97 -5.279 10.476 -4.220 1.00 3.55 H new ATOM 0 HD2 TYR A 97 -1.920 9.496 -1.768 1.00 54.45 H new ATOM 0 HE1 TYR A 97 -5.689 12.469 -2.854 1.00 51.32 H new ATOM 0 HE2 TYR A 97 -2.335 11.499 -0.409 1.00 13.15 H new ATOM 0 HH TYR A 97 -4.446 12.977 0.138 1.00 23.04 H new ATOM 1455 N MET A 98 -4.690 5.985 -5.501 1.00 2.43 N ATOM 1456 CA MET A 98 -4.446 5.117 -6.653 1.00 25.43 C ATOM 1457 C MET A 98 -3.853 5.998 -7.773 1.00 1.41 C ATOM 1458 O MET A 98 -4.481 6.979 -8.167 1.00 35.55 O ATOM 1459 CB MET A 98 -5.787 4.471 -7.074 1.00 24.32 C ATOM 1460 CG MET A 98 -5.721 3.582 -8.312 1.00 41.35 C ATOM 1461 SD MET A 98 -7.301 2.782 -8.681 1.00 21.50 S ATOM 1462 CE MET A 98 -8.413 4.185 -8.798 1.00 51.14 C ATOM 0 H MET A 98 -5.595 6.455 -5.537 1.00 2.43 H new ATOM 0 HA MET A 98 -3.746 4.313 -6.426 1.00 25.43 H new ATOM 0 HB2 MET A 98 -6.163 3.878 -6.240 1.00 24.32 H new ATOM 0 HB3 MET A 98 -6.513 5.264 -7.254 1.00 24.32 H new ATOM 0 HG2 MET A 98 -5.413 4.181 -9.169 1.00 41.35 H new ATOM 0 HG3 MET A 98 -4.957 2.818 -8.166 1.00 41.35 H new ATOM 0 HE1 MET A 98 -9.281 3.912 -9.399 1.00 51.14 H new ATOM 0 HE2 MET A 98 -8.740 4.475 -7.799 1.00 51.14 H new ATOM 0 HE3 MET A 98 -7.895 5.022 -9.267 1.00 51.14 H new ATOM 1472 N VAL A 99 -2.621 5.687 -8.239 1.00 24.24 N ATOM 1473 CA VAL A 99 -1.867 6.566 -9.186 1.00 53.22 C ATOM 1474 C VAL A 99 -1.350 5.826 -10.452 1.00 44.51 C ATOM 1475 O VAL A 99 -1.172 4.613 -10.459 1.00 14.34 O ATOM 1476 CB VAL A 99 -0.650 7.277 -8.465 1.00 71.10 C ATOM 1477 CG1 VAL A 99 -1.131 8.296 -7.392 1.00 41.23 C ATOM 1478 CG2 VAL A 99 0.345 6.239 -7.862 1.00 44.34 C ATOM 0 H VAL A 99 -2.122 4.836 -7.979 1.00 24.24 H new ATOM 0 HA VAL A 99 -2.591 7.310 -9.518 1.00 53.22 H new ATOM 0 HB VAL A 99 -0.111 7.841 -9.226 1.00 71.10 H new ATOM 0 HG11 VAL A 99 -0.266 8.763 -6.920 1.00 41.23 H new ATOM 0 HG12 VAL A 99 -1.743 9.063 -7.867 1.00 41.23 H new ATOM 0 HG13 VAL A 99 -1.721 7.777 -6.636 1.00 41.23 H new ATOM 0 HG21 VAL A 99 1.167 6.763 -7.375 1.00 44.34 H new ATOM 0 HG22 VAL A 99 -0.174 5.620 -7.130 1.00 44.34 H new ATOM 0 HG23 VAL A 99 0.738 5.607 -8.658 1.00 44.34 H new ATOM 1488 N ASP A 100 -1.119 6.607 -11.524 1.00 63.23 N ATOM 1489 CA ASP A 100 -0.492 6.157 -12.785 1.00 62.45 C ATOM 1490 C ASP A 100 0.916 6.793 -12.906 1.00 24.30 C ATOM 1491 O ASP A 100 1.031 8.016 -12.969 1.00 31.10 O ATOM 1492 CB ASP A 100 -1.398 6.604 -13.965 1.00 5.02 C ATOM 1493 CG ASP A 100 -0.849 6.218 -15.353 1.00 52.35 C ATOM 1494 OD1 ASP A 100 -0.041 6.980 -15.925 1.00 53.34 O ATOM 1495 OD2 ASP A 100 -1.230 5.156 -15.883 1.00 31.12 O ATOM 0 H ASP A 100 -1.370 7.596 -11.539 1.00 63.23 H new ATOM 0 HA ASP A 100 -0.385 5.072 -12.801 1.00 62.45 H new ATOM 0 HB2 ASP A 100 -2.386 6.161 -13.840 1.00 5.02 H new ATOM 0 HB3 ASP A 100 -1.526 7.686 -13.923 1.00 5.02 H new ATOM 1500 N TYR A 101 1.975 5.970 -12.949 1.00 3.13 N ATOM 1501 CA TYR A 101 3.376 6.465 -13.049 1.00 54.32 C ATOM 1502 C TYR A 101 4.165 5.679 -14.123 1.00 71.21 C ATOM 1503 O TYR A 101 3.739 4.612 -14.576 1.00 52.03 O ATOM 1504 CB TYR A 101 4.094 6.357 -11.660 1.00 33.23 C ATOM 1505 CG TYR A 101 4.436 4.915 -11.214 1.00 12.44 C ATOM 1506 CD1 TYR A 101 3.506 4.107 -10.554 1.00 52.13 C ATOM 1507 CD2 TYR A 101 5.698 4.362 -11.470 1.00 61.54 C ATOM 1508 CE1 TYR A 101 3.821 2.806 -10.184 1.00 31.52 C ATOM 1509 CE2 TYR A 101 6.010 3.071 -11.102 1.00 33.20 C ATOM 1510 CZ TYR A 101 5.073 2.296 -10.457 1.00 13.23 C ATOM 1511 OH TYR A 101 5.390 1.002 -10.087 1.00 14.25 O ATOM 0 H TYR A 101 1.897 4.953 -12.917 1.00 3.13 H new ATOM 0 HA TYR A 101 3.345 7.513 -13.348 1.00 54.32 H new ATOM 0 HB2 TYR A 101 5.015 6.938 -11.697 1.00 33.23 H new ATOM 0 HB3 TYR A 101 3.458 6.815 -10.902 1.00 33.23 H new ATOM 0 HD1 TYR A 101 2.526 4.501 -10.328 1.00 52.13 H new ATOM 0 HD2 TYR A 101 6.445 4.963 -11.968 1.00 61.54 H new ATOM 0 HE1 TYR A 101 3.086 2.194 -9.683 1.00 31.52 H new ATOM 0 HE2 TYR A 101 6.988 2.668 -11.319 1.00 33.20 H new ATOM 0 HH TYR A 101 6.311 0.801 -10.355 1.00 14.25 H new ATOM 1521 N THR A 102 5.340 6.200 -14.499 1.00 22.20 N ATOM 1522 CA THR A 102 6.312 5.466 -15.339 1.00 44.14 C ATOM 1523 C THR A 102 7.483 5.003 -14.453 1.00 71.34 C ATOM 1524 O THR A 102 8.143 5.838 -13.821 1.00 75.33 O ATOM 1525 CB THR A 102 6.851 6.344 -16.520 1.00 30.14 C ATOM 1526 OG1 THR A 102 5.749 6.825 -17.317 1.00 71.54 O ATOM 1527 CG2 THR A 102 7.828 5.568 -17.435 1.00 33.24 C ATOM 0 H THR A 102 5.648 7.136 -14.235 1.00 22.20 H new ATOM 0 HA THR A 102 5.804 4.609 -15.781 1.00 44.14 H new ATOM 0 HB THR A 102 7.395 7.176 -16.074 1.00 30.14 H new ATOM 0 HG1 THR A 102 6.092 7.374 -18.052 1.00 71.54 H new ATOM 0 HG21 THR A 102 8.172 6.221 -18.237 1.00 33.24 H new ATOM 0 HG22 THR A 102 8.683 5.230 -16.850 1.00 33.24 H new ATOM 0 HG23 THR A 102 7.318 4.705 -17.863 1.00 33.24 H new ATOM 1535 N SER A 103 7.690 3.669 -14.373 1.00 54.41 N ATOM 1536 CA SER A 103 8.813 3.054 -13.630 1.00 23.15 C ATOM 1537 C SER A 103 10.169 3.590 -14.141 1.00 43.12 C ATOM 1538 O SER A 103 10.692 3.119 -15.137 1.00 71.14 O ATOM 1539 CB SER A 103 8.758 1.504 -13.741 1.00 12.11 C ATOM 1540 OG SER A 103 7.558 0.976 -13.190 1.00 11.40 O ATOM 0 H SER A 103 7.081 2.987 -14.824 1.00 54.41 H new ATOM 0 HA SER A 103 8.716 3.327 -12.579 1.00 23.15 H new ATOM 0 HB2 SER A 103 8.836 1.212 -14.788 1.00 12.11 H new ATOM 0 HB3 SER A 103 9.615 1.072 -13.225 1.00 12.11 H new ATOM 0 HG SER A 103 7.559 0.000 -13.279 1.00 11.40 H new ATOM 1546 N THR A 104 10.696 4.608 -13.446 1.00 0.32 N ATOM 1547 CA THR A 104 11.950 5.315 -13.815 1.00 4.41 C ATOM 1548 C THR A 104 13.188 4.385 -13.901 1.00 20.43 C ATOM 1549 O THR A 104 14.146 4.695 -14.616 1.00 64.31 O ATOM 1550 CB THR A 104 12.242 6.464 -12.799 1.00 33.24 C ATOM 1551 OG1 THR A 104 12.292 5.926 -11.461 1.00 24.10 O ATOM 1552 CG2 THR A 104 11.179 7.576 -12.872 1.00 10.12 C ATOM 0 H THR A 104 10.264 4.975 -12.598 1.00 0.32 H new ATOM 0 HA THR A 104 11.782 5.717 -14.814 1.00 4.41 H new ATOM 0 HB THR A 104 13.204 6.905 -13.061 1.00 33.24 H new ATOM 0 HG1 THR A 104 12.477 6.648 -10.825 1.00 24.10 H new ATOM 0 HG21 THR A 104 11.419 8.356 -12.150 1.00 10.12 H new ATOM 0 HG22 THR A 104 11.166 8.002 -13.875 1.00 10.12 H new ATOM 0 HG23 THR A 104 10.199 7.158 -12.643 1.00 10.12 H new ATOM 1560 N THR A 105 13.156 3.261 -13.157 1.00 30.34 N ATOM 1561 CA THR A 105 14.230 2.235 -13.166 1.00 12.41 C ATOM 1562 C THR A 105 14.405 1.569 -14.566 1.00 14.41 C ATOM 1563 O THR A 105 15.528 1.295 -14.996 1.00 73.21 O ATOM 1564 CB THR A 105 13.937 1.133 -12.083 1.00 52.33 C ATOM 1565 OG1 THR A 105 13.738 1.756 -10.803 1.00 51.33 O ATOM 1566 CG2 THR A 105 15.068 0.092 -11.957 1.00 23.31 C ATOM 0 H THR A 105 12.384 3.034 -12.530 1.00 30.34 H new ATOM 0 HA THR A 105 15.163 2.746 -12.929 1.00 12.41 H new ATOM 0 HB THR A 105 13.040 0.606 -12.408 1.00 52.33 H new ATOM 0 HG1 THR A 105 13.554 1.068 -10.130 1.00 51.33 H new ATOM 0 HG21 THR A 105 14.805 -0.640 -11.194 1.00 23.31 H new ATOM 0 HG22 THR A 105 15.205 -0.413 -12.913 1.00 23.31 H new ATOM 0 HG23 THR A 105 15.994 0.593 -11.675 1.00 23.31 H new ATOM 1574 N SER A 106 13.284 1.323 -15.274 1.00 25.53 N ATOM 1575 CA SER A 106 13.283 0.621 -16.597 1.00 30.13 C ATOM 1576 C SER A 106 12.836 1.555 -17.752 1.00 52.34 C ATOM 1577 O SER A 106 13.519 1.689 -18.772 1.00 2.24 O ATOM 1578 CB SER A 106 12.331 -0.597 -16.525 1.00 13.24 C ATOM 1579 OG SER A 106 10.998 -0.194 -16.218 1.00 70.12 O ATOM 0 H SER A 106 12.354 1.599 -14.957 1.00 25.53 H new ATOM 0 HA SER A 106 14.303 0.300 -16.806 1.00 30.13 H new ATOM 0 HB2 SER A 106 12.343 -1.128 -17.477 1.00 13.24 H new ATOM 0 HB3 SER A 106 12.686 -1.295 -15.767 1.00 13.24 H new ATOM 0 HG SER A 106 10.418 -0.983 -16.181 1.00 70.12 H new ATOM 1585 N GLY A 107 11.695 2.215 -17.544 1.00 21.14 N ATOM 1586 CA GLY A 107 11.009 3.025 -18.567 1.00 32.45 C ATOM 1587 C GLY A 107 9.637 2.439 -18.939 1.00 4.24 C ATOM 1588 O GLY A 107 9.047 2.810 -19.959 1.00 71.35 O ATOM 0 H GLY A 107 11.209 2.205 -16.647 1.00 21.14 H new ATOM 0 HA2 GLY A 107 10.881 4.043 -18.198 1.00 32.45 H new ATOM 0 HA3 GLY A 107 11.632 3.085 -19.460 1.00 32.45 H new ATOM 1592 N GLU A 108 9.135 1.523 -18.081 1.00 0.33 N ATOM 1593 CA GLU A 108 7.835 0.835 -18.278 1.00 24.31 C ATOM 1594 C GLU A 108 6.658 1.664 -17.699 1.00 24.32 C ATOM 1595 O GLU A 108 6.770 2.281 -16.642 1.00 25.34 O ATOM 1596 CB GLU A 108 7.863 -0.591 -17.641 1.00 41.24 C ATOM 1597 CG GLU A 108 6.595 -1.453 -17.889 1.00 43.30 C ATOM 1598 CD GLU A 108 6.298 -1.708 -19.388 1.00 41.10 C ATOM 1599 OE1 GLU A 108 6.998 -2.536 -20.010 1.00 33.24 O ATOM 1600 OE2 GLU A 108 5.376 -1.072 -19.953 1.00 31.23 O ATOM 0 H GLU A 108 9.619 1.238 -17.230 1.00 0.33 H new ATOM 0 HA GLU A 108 7.676 0.735 -19.352 1.00 24.31 H new ATOM 0 HB2 GLU A 108 8.729 -1.128 -18.029 1.00 41.24 H new ATOM 0 HB3 GLU A 108 8.008 -0.488 -16.566 1.00 41.24 H new ATOM 0 HG2 GLU A 108 6.713 -2.411 -17.383 1.00 43.30 H new ATOM 0 HG3 GLU A 108 5.736 -0.958 -17.437 1.00 43.30 H new ATOM 1607 N LYS A 109 5.536 1.642 -18.424 1.00 24.41 N ATOM 1608 CA LYS A 109 4.268 2.324 -18.046 1.00 64.12 C ATOM 1609 C LYS A 109 3.414 1.433 -17.095 1.00 73.04 C ATOM 1610 O LYS A 109 2.998 0.324 -17.462 1.00 30.45 O ATOM 1611 CB LYS A 109 3.465 2.710 -19.338 1.00 63.10 C ATOM 1612 CG LYS A 109 3.576 1.672 -20.478 1.00 54.24 C ATOM 1613 CD LYS A 109 2.706 1.968 -21.714 1.00 64.23 C ATOM 1614 CE LYS A 109 3.152 1.146 -22.944 1.00 3.51 C ATOM 1615 NZ LYS A 109 3.419 -0.289 -22.619 1.00 14.12 N ATOM 0 H LYS A 109 5.469 1.143 -19.311 1.00 24.41 H new ATOM 0 HA LYS A 109 4.510 3.237 -17.502 1.00 64.12 H new ATOM 0 HB2 LYS A 109 2.414 2.837 -19.077 1.00 63.10 H new ATOM 0 HB3 LYS A 109 3.822 3.674 -19.701 1.00 63.10 H new ATOM 0 HG2 LYS A 109 4.618 1.610 -20.792 1.00 54.24 H new ATOM 0 HG3 LYS A 109 3.302 0.693 -20.085 1.00 54.24 H new ATOM 0 HD2 LYS A 109 1.664 1.744 -21.486 1.00 64.23 H new ATOM 0 HD3 LYS A 109 2.759 3.031 -21.949 1.00 64.23 H new ATOM 0 HE2 LYS A 109 2.380 1.202 -23.711 1.00 3.51 H new ATOM 0 HE3 LYS A 109 4.053 1.592 -23.365 1.00 3.51 H new ATOM 0 HZ1 LYS A 109 3.531 -0.829 -23.500 1.00 14.12 H new ATOM 0 HZ2 LYS A 109 4.290 -0.361 -22.055 1.00 14.12 H new ATOM 0 HZ3 LYS A 109 2.622 -0.676 -22.075 1.00 14.12 H new ATOM 1629 N VAL A 110 3.179 1.928 -15.862 1.00 31.34 N ATOM 1630 CA VAL A 110 2.365 1.234 -14.827 1.00 40.22 C ATOM 1631 C VAL A 110 1.153 2.112 -14.405 1.00 41.32 C ATOM 1632 O VAL A 110 1.309 3.301 -14.112 1.00 71.22 O ATOM 1633 CB VAL A 110 3.234 0.882 -13.551 1.00 31.52 C ATOM 1634 CG1 VAL A 110 2.406 0.129 -12.473 1.00 1.40 C ATOM 1635 CG2 VAL A 110 4.499 0.071 -13.939 1.00 54.43 C ATOM 0 H VAL A 110 3.548 2.826 -15.549 1.00 31.34 H new ATOM 0 HA VAL A 110 2.002 0.305 -15.266 1.00 40.22 H new ATOM 0 HB VAL A 110 3.555 1.828 -13.115 1.00 31.52 H new ATOM 0 HG11 VAL A 110 3.041 -0.093 -11.615 1.00 1.40 H new ATOM 0 HG12 VAL A 110 1.571 0.753 -12.154 1.00 1.40 H new ATOM 0 HG13 VAL A 110 2.024 -0.802 -12.892 1.00 1.40 H new ATOM 0 HG21 VAL A 110 5.075 -0.156 -13.042 1.00 54.43 H new ATOM 0 HG22 VAL A 110 4.201 -0.859 -14.423 1.00 54.43 H new ATOM 0 HG23 VAL A 110 5.111 0.657 -14.625 1.00 54.43 H new ATOM 1645 N LYS A 111 -0.051 1.508 -14.353 1.00 45.31 N ATOM 1646 CA LYS A 111 -1.295 2.206 -13.942 1.00 52.42 C ATOM 1647 C LYS A 111 -1.871 1.609 -12.639 1.00 12.43 C ATOM 1648 O LYS A 111 -1.419 0.558 -12.167 1.00 23.41 O ATOM 1649 CB LYS A 111 -2.378 2.199 -15.074 1.00 61.14 C ATOM 1650 CG LYS A 111 -2.852 0.815 -15.593 1.00 63.33 C ATOM 1651 CD LYS A 111 -1.848 0.161 -16.568 1.00 21.14 C ATOM 1652 CE LYS A 111 -2.348 -1.173 -17.142 1.00 43.41 C ATOM 1653 NZ LYS A 111 -3.586 -1.012 -17.948 1.00 42.13 N ATOM 0 H LYS A 111 -0.193 0.527 -14.593 1.00 45.31 H new ATOM 0 HA LYS A 111 -1.022 3.244 -13.754 1.00 52.42 H new ATOM 0 HB2 LYS A 111 -3.251 2.740 -14.710 1.00 61.14 H new ATOM 0 HB3 LYS A 111 -1.985 2.761 -15.921 1.00 61.14 H new ATOM 0 HG2 LYS A 111 -3.012 0.150 -14.744 1.00 63.33 H new ATOM 0 HG3 LYS A 111 -3.814 0.930 -16.093 1.00 63.33 H new ATOM 0 HD2 LYS A 111 -1.646 0.850 -17.388 1.00 21.14 H new ATOM 0 HD3 LYS A 111 -0.903 -0.004 -16.050 1.00 21.14 H new ATOM 0 HE2 LYS A 111 -1.568 -1.614 -17.763 1.00 43.41 H new ATOM 0 HE3 LYS A 111 -2.537 -1.869 -16.325 1.00 43.41 H new ATOM 0 HZ1 LYS A 111 -3.791 -1.899 -18.451 1.00 42.13 H new ATOM 0 HZ2 LYS A 111 -4.381 -0.779 -17.320 1.00 42.13 H new ATOM 0 HZ3 LYS A 111 -3.454 -0.245 -18.638 1.00 42.13 H new ATOM 1667 N ASN A 112 -2.857 2.339 -12.078 1.00 52.21 N ATOM 1668 CA ASN A 112 -3.651 1.977 -10.869 1.00 41.12 C ATOM 1669 C ASN A 112 -2.822 1.421 -9.672 1.00 52.44 C ATOM 1670 O ASN A 112 -3.289 0.543 -8.945 1.00 3.14 O ATOM 1671 CB ASN A 112 -4.890 1.078 -11.242 1.00 74.42 C ATOM 1672 CG ASN A 112 -4.618 -0.293 -11.904 1.00 34.44 C ATOM 1673 OD1 ASN A 112 -3.622 -1.037 -11.461 1.00 73.14 O flip ATOM 1674 ND2 ASN A 112 -5.350 -0.705 -12.795 1.00 13.14 N flip ATOM 0 H ASN A 112 -3.140 3.238 -12.467 1.00 52.21 H new ATOM 0 HA ASN A 112 -4.035 2.922 -10.483 1.00 41.12 H new ATOM 0 HB2 ASN A 112 -5.461 0.901 -10.331 1.00 74.42 H new ATOM 0 HB3 ASN A 112 -5.529 1.652 -11.913 1.00 74.42 H new ATOM 0 HD21 ASN A 112 -6.118 -0.125 -13.133 1.00 13.14 H new ATOM 0 HD22 ASN A 112 -5.192 -1.628 -13.199 1.00 13.14 H new ATOM 1681 N HIS A 113 -1.611 1.983 -9.455 1.00 53.33 N ATOM 1682 CA HIS A 113 -0.713 1.589 -8.340 1.00 13.02 C ATOM 1683 C HIS A 113 -1.368 1.848 -6.960 1.00 54.14 C ATOM 1684 O HIS A 113 -1.914 2.929 -6.705 1.00 64.14 O ATOM 1685 CB HIS A 113 0.650 2.322 -8.426 1.00 71.25 C ATOM 1686 CG HIS A 113 1.586 1.965 -7.287 1.00 24.24 C ATOM 1687 ND1 HIS A 113 2.301 0.790 -7.285 1.00 51.21 N ATOM 1688 CD2 HIS A 113 1.804 2.607 -6.110 1.00 5.32 C ATOM 1689 CE1 HIS A 113 2.920 0.742 -6.120 1.00 34.42 C ATOM 1690 NE2 HIS A 113 2.648 1.820 -5.373 1.00 41.33 N ATOM 0 H HIS A 113 -1.227 2.721 -10.045 1.00 53.33 H new ATOM 0 HA HIS A 113 -0.538 0.518 -8.440 1.00 13.02 H new ATOM 0 HB2 HIS A 113 1.129 2.077 -9.374 1.00 71.25 H new ATOM 0 HB3 HIS A 113 0.478 3.398 -8.425 1.00 71.25 H new ATOM 0 HD2 HIS A 113 1.390 3.559 -5.812 1.00 5.32 H new ATOM 0 HE1 HIS A 113 3.565 -0.066 -5.808 1.00 34.42 H new ATOM 0 HE2 HIS A 113 3.001 2.017 -4.437 1.00 41.33 H new ATOM 1698 N LYS A 114 -1.284 0.837 -6.072 1.00 62.42 N ATOM 1699 CA LYS A 114 -1.930 0.849 -4.738 1.00 21.22 C ATOM 1700 C LYS A 114 -0.966 0.293 -3.647 1.00 13.23 C ATOM 1701 O LYS A 114 -0.347 -0.748 -3.859 1.00 43.30 O ATOM 1702 CB LYS A 114 -3.223 -0.022 -4.796 1.00 5.25 C ATOM 1703 CG LYS A 114 -4.278 0.490 -5.802 1.00 74.23 C ATOM 1704 CD LYS A 114 -5.432 -0.502 -6.050 1.00 12.41 C ATOM 1705 CE LYS A 114 -6.353 -0.023 -7.183 1.00 10.05 C ATOM 1706 NZ LYS A 114 -7.445 -0.978 -7.465 1.00 14.33 N ATOM 0 H LYS A 114 -0.762 -0.019 -6.259 1.00 62.42 H new ATOM 0 HA LYS A 114 -2.181 1.876 -4.474 1.00 21.22 H new ATOM 0 HB2 LYS A 114 -2.950 -1.044 -5.060 1.00 5.25 H new ATOM 0 HB3 LYS A 114 -3.670 -0.058 -3.803 1.00 5.25 H new ATOM 0 HG2 LYS A 114 -4.691 1.429 -5.435 1.00 74.23 H new ATOM 0 HG3 LYS A 114 -3.787 0.707 -6.751 1.00 74.23 H new ATOM 0 HD2 LYS A 114 -5.024 -1.481 -6.301 1.00 12.41 H new ATOM 0 HD3 LYS A 114 -6.012 -0.623 -5.135 1.00 12.41 H new ATOM 0 HE2 LYS A 114 -6.780 0.944 -6.916 1.00 10.05 H new ATOM 0 HE3 LYS A 114 -5.763 0.128 -8.087 1.00 10.05 H new ATOM 0 HZ1 LYS A 114 -8.038 -0.610 -8.236 1.00 14.33 H new ATOM 0 HZ2 LYS A 114 -7.041 -1.894 -7.746 1.00 14.33 H new ATOM 0 HZ3 LYS A 114 -8.026 -1.103 -6.611 1.00 14.33 H new ATOM 1720 N TRP A 115 -0.803 0.965 -2.478 1.00 53.15 N ATOM 1721 CA TRP A 115 -1.282 2.350 -2.192 1.00 21.01 C ATOM 1722 C TRP A 115 -0.102 3.316 -1.922 1.00 14.10 C ATOM 1723 O TRP A 115 0.968 2.896 -1.502 1.00 0.14 O ATOM 1724 CB TRP A 115 -2.242 2.344 -0.966 1.00 55.22 C ATOM 1725 CG TRP A 115 -3.504 1.535 -1.178 1.00 54.33 C ATOM 1726 CD1 TRP A 115 -3.787 0.282 -0.698 1.00 74.15 C ATOM 1727 CD2 TRP A 115 -4.642 1.929 -1.959 1.00 70.21 C ATOM 1728 NE1 TRP A 115 -5.028 -0.113 -1.127 1.00 12.10 N ATOM 1729 CE2 TRP A 115 -5.573 0.881 -1.900 1.00 31.41 C ATOM 1730 CE3 TRP A 115 -4.964 3.077 -2.696 1.00 0.13 C ATOM 1731 CZ2 TRP A 115 -6.800 0.937 -2.559 1.00 52.23 C ATOM 1732 CZ3 TRP A 115 -6.179 3.132 -3.347 1.00 52.34 C ATOM 1733 CH2 TRP A 115 -7.086 2.068 -3.272 1.00 60.21 C ATOM 0 H TRP A 115 -0.320 0.548 -1.682 1.00 53.15 H new ATOM 0 HA TRP A 115 -1.816 2.703 -3.074 1.00 21.01 H new ATOM 0 HB2 TRP A 115 -1.709 1.948 -0.102 1.00 55.22 H new ATOM 0 HB3 TRP A 115 -2.517 3.371 -0.727 1.00 55.22 H new ATOM 0 HD1 TRP A 115 -3.130 -0.306 -0.075 1.00 74.15 H new ATOM 0 HE1 TRP A 115 -5.475 -1.003 -0.907 1.00 12.10 H new ATOM 0 HE3 TRP A 115 -4.272 3.905 -2.753 1.00 0.13 H new ATOM 0 HZ2 TRP A 115 -7.500 0.116 -2.508 1.00 52.23 H new ATOM 0 HZ3 TRP A 115 -6.434 4.009 -3.923 1.00 52.34 H new ATOM 0 HH2 TRP A 115 -8.032 2.142 -3.788 1.00 60.21 H new ATOM 1744 N VAL A 116 -0.327 4.616 -2.178 1.00 4.45 N ATOM 1745 CA VAL A 116 0.630 5.708 -1.837 1.00 15.04 C ATOM 1746 C VAL A 116 -0.077 6.762 -0.963 1.00 3.45 C ATOM 1747 O VAL A 116 -1.249 7.056 -1.164 1.00 10.33 O ATOM 1748 CB VAL A 116 1.245 6.394 -3.120 1.00 61.03 C ATOM 1749 CG1 VAL A 116 2.228 5.447 -3.855 1.00 51.21 C ATOM 1750 CG2 VAL A 116 0.133 6.895 -4.072 1.00 32.11 C ATOM 0 H VAL A 116 -1.178 4.951 -2.629 1.00 4.45 H new ATOM 0 HA VAL A 116 1.457 5.259 -1.286 1.00 15.04 H new ATOM 0 HB VAL A 116 1.815 7.261 -2.787 1.00 61.03 H new ATOM 0 HG11 VAL A 116 2.632 5.952 -4.733 1.00 51.21 H new ATOM 0 HG12 VAL A 116 3.044 5.177 -3.184 1.00 51.21 H new ATOM 0 HG13 VAL A 116 1.701 4.545 -4.166 1.00 51.21 H new ATOM 0 HG21 VAL A 116 0.586 7.363 -4.946 1.00 32.11 H new ATOM 0 HG22 VAL A 116 -0.482 6.052 -4.389 1.00 32.11 H new ATOM 0 HG23 VAL A 116 -0.490 7.623 -3.553 1.00 32.11 H new ATOM 1760 N THR A 117 0.633 7.325 0.018 1.00 13.34 N ATOM 1761 CA THR A 117 0.033 8.276 0.991 1.00 3.32 C ATOM 1762 C THR A 117 0.531 9.714 0.791 1.00 53.23 C ATOM 1763 O THR A 117 1.504 9.954 0.076 1.00 72.14 O ATOM 1764 CB THR A 117 0.325 7.838 2.458 1.00 32.21 C ATOM 1765 OG1 THR A 117 1.743 7.828 2.711 1.00 42.01 O ATOM 1766 CG2 THR A 117 -0.255 6.453 2.745 1.00 21.10 C ATOM 0 H THR A 117 1.626 7.146 0.170 1.00 13.34 H new ATOM 0 HA THR A 117 -1.041 8.257 0.807 1.00 3.32 H new ATOM 0 HB THR A 117 -0.153 8.561 3.119 1.00 32.21 H new ATOM 0 HG1 THR A 117 2.155 7.076 2.236 1.00 42.01 H new ATOM 0 HG21 THR A 117 -0.036 6.173 3.776 1.00 21.10 H new ATOM 0 HG22 THR A 117 -1.335 6.473 2.596 1.00 21.10 H new ATOM 0 HG23 THR A 117 0.192 5.724 2.069 1.00 21.10 H new ATOM 1774 N GLU A 118 -0.149 10.666 1.468 1.00 22.01 N ATOM 1775 CA GLU A 118 0.209 12.105 1.446 1.00 14.53 C ATOM 1776 C GLU A 118 1.674 12.341 1.920 1.00 71.31 C ATOM 1777 O GLU A 118 2.364 13.228 1.413 1.00 31.42 O ATOM 1778 CB GLU A 118 -0.771 12.908 2.340 1.00 34.32 C ATOM 1779 CG GLU A 118 -2.257 12.734 1.978 1.00 1.20 C ATOM 1780 CD GLU A 118 -3.187 13.697 2.733 1.00 4.31 C ATOM 1781 OE1 GLU A 118 -3.514 13.429 3.904 1.00 11.15 O ATOM 1782 OE2 GLU A 118 -3.580 14.737 2.161 1.00 12.15 O ATOM 0 H GLU A 118 -0.963 10.459 2.047 1.00 22.01 H new ATOM 0 HA GLU A 118 0.132 12.451 0.415 1.00 14.53 H new ATOM 0 HB2 GLU A 118 -0.626 12.607 3.377 1.00 34.32 H new ATOM 0 HB3 GLU A 118 -0.516 13.966 2.276 1.00 34.32 H new ATOM 0 HG2 GLU A 118 -2.382 12.886 0.906 1.00 1.20 H new ATOM 0 HG3 GLU A 118 -2.558 11.708 2.192 1.00 1.20 H new ATOM 1789 N ASP A 119 2.116 11.518 2.897 1.00 31.34 N ATOM 1790 CA ASP A 119 3.513 11.493 3.404 1.00 64.44 C ATOM 1791 C ASP A 119 4.531 11.160 2.276 1.00 54.21 C ATOM 1792 O ASP A 119 5.584 11.798 2.148 1.00 44.31 O ATOM 1793 CB ASP A 119 3.614 10.442 4.549 1.00 61.34 C ATOM 1794 CG ASP A 119 5.055 10.204 5.058 1.00 32.44 C ATOM 1795 OD1 ASP A 119 5.610 11.092 5.744 1.00 23.41 O ATOM 1796 OD2 ASP A 119 5.640 9.132 4.774 1.00 52.44 O ATOM 0 H ASP A 119 1.509 10.844 3.363 1.00 31.34 H new ATOM 0 HA ASP A 119 3.764 12.485 3.781 1.00 64.44 H new ATOM 0 HB2 ASP A 119 2.994 10.768 5.384 1.00 61.34 H new ATOM 0 HB3 ASP A 119 3.203 9.496 4.197 1.00 61.34 H new ATOM 1801 N GLU A 120 4.170 10.174 1.446 1.00 41.43 N ATOM 1802 CA GLU A 120 5.057 9.600 0.413 1.00 54.32 C ATOM 1803 C GLU A 120 5.026 10.396 -0.920 1.00 32.00 C ATOM 1804 O GLU A 120 5.789 10.092 -1.849 1.00 54.31 O ATOM 1805 CB GLU A 120 4.654 8.119 0.184 1.00 71.14 C ATOM 1806 CG GLU A 120 4.764 7.242 1.448 1.00 3.33 C ATOM 1807 CD GLU A 120 4.301 5.793 1.238 1.00 72.03 C ATOM 1808 OE1 GLU A 120 3.103 5.592 0.926 1.00 4.15 O ATOM 1809 OE2 GLU A 120 5.107 4.855 1.420 1.00 2.04 O ATOM 0 H GLU A 120 3.245 9.744 1.469 1.00 41.43 H new ATOM 0 HA GLU A 120 6.085 9.662 0.771 1.00 54.32 H new ATOM 0 HB2 GLU A 120 3.628 8.084 -0.183 1.00 71.14 H new ATOM 0 HB3 GLU A 120 5.287 7.696 -0.596 1.00 71.14 H new ATOM 0 HG2 GLU A 120 5.800 7.237 1.787 1.00 3.33 H new ATOM 0 HG3 GLU A 120 4.170 7.692 2.244 1.00 3.33 H new ATOM 1816 N LEU A 121 4.177 11.446 -0.994 1.00 34.45 N ATOM 1817 CA LEU A 121 3.967 12.240 -2.231 1.00 71.24 C ATOM 1818 C LEU A 121 4.333 13.732 -2.020 1.00 41.15 C ATOM 1819 O LEU A 121 4.230 14.273 -0.918 1.00 72.35 O ATOM 1820 CB LEU A 121 2.484 12.136 -2.710 1.00 71.22 C ATOM 1821 CG LEU A 121 1.946 10.703 -3.035 1.00 23.02 C ATOM 1822 CD1 LEU A 121 0.475 10.757 -3.505 1.00 65.10 C ATOM 1823 CD2 LEU A 121 2.834 9.977 -4.068 1.00 41.05 C ATOM 0 H LEU A 121 3.619 11.768 -0.203 1.00 34.45 H new ATOM 0 HA LEU A 121 4.626 11.825 -2.994 1.00 71.24 H new ATOM 0 HB2 LEU A 121 1.847 12.571 -1.940 1.00 71.22 H new ATOM 0 HB3 LEU A 121 2.371 12.752 -3.602 1.00 71.22 H new ATOM 0 HG LEU A 121 1.986 10.124 -2.112 1.00 23.02 H new ATOM 0 HD11 LEU A 121 0.126 9.748 -3.724 1.00 65.10 H new ATOM 0 HD12 LEU A 121 -0.142 11.192 -2.719 1.00 65.10 H new ATOM 0 HD13 LEU A 121 0.402 11.369 -4.404 1.00 65.10 H new ATOM 0 HD21 LEU A 121 2.426 8.986 -4.266 1.00 41.05 H new ATOM 0 HD22 LEU A 121 2.858 10.551 -4.994 1.00 41.05 H new ATOM 0 HD23 LEU A 121 3.846 9.881 -3.674 1.00 41.05 H new ATOM 1835 N SER A 122 4.769 14.369 -3.112 1.00 43.12 N ATOM 1836 CA SER A 122 4.992 15.833 -3.212 1.00 32.41 C ATOM 1837 C SER A 122 4.128 16.349 -4.374 1.00 0.14 C ATOM 1838 O SER A 122 3.913 15.617 -5.333 1.00 74.15 O ATOM 1839 CB SER A 122 6.486 16.151 -3.497 1.00 40.32 C ATOM 1840 OG SER A 122 7.341 15.515 -2.567 1.00 3.33 O ATOM 0 H SER A 122 4.985 13.876 -3.979 1.00 43.12 H new ATOM 0 HA SER A 122 4.723 16.314 -2.272 1.00 32.41 H new ATOM 0 HB2 SER A 122 6.741 15.828 -4.506 1.00 40.32 H new ATOM 0 HB3 SER A 122 6.643 17.229 -3.458 1.00 40.32 H new ATOM 0 HG SER A 122 8.273 15.735 -2.776 1.00 3.33 H new ATOM 1846 N ALA A 123 3.620 17.583 -4.304 1.00 21.41 N ATOM 1847 CA ALA A 123 2.778 18.143 -5.391 1.00 33.24 C ATOM 1848 C ALA A 123 3.635 18.618 -6.593 1.00 22.13 C ATOM 1849 O ALA A 123 4.811 18.977 -6.429 1.00 3.45 O ATOM 1850 CB ALA A 123 1.906 19.280 -4.850 1.00 1.24 C ATOM 0 H ALA A 123 3.769 18.216 -3.518 1.00 21.41 H new ATOM 0 HA ALA A 123 2.127 17.349 -5.758 1.00 33.24 H new ATOM 0 HB1 ALA A 123 1.293 19.683 -5.656 1.00 1.24 H new ATOM 0 HB2 ALA A 123 1.261 18.899 -4.059 1.00 1.24 H new ATOM 0 HB3 ALA A 123 2.543 20.069 -4.450 1.00 1.24 H new ATOM 1856 N LYS A 124 3.039 18.586 -7.803 1.00 23.32 N ATOM 1857 CA LYS A 124 3.684 19.098 -9.037 1.00 21.53 C ATOM 1858 C LYS A 124 3.889 20.632 -8.954 1.00 10.43 C ATOM 1859 O LYS A 124 4.967 21.148 -9.284 1.00 55.24 O ATOM 1860 CB LYS A 124 2.818 18.744 -10.275 1.00 53.43 C ATOM 1861 CG LYS A 124 3.411 19.165 -11.638 1.00 72.10 C ATOM 1862 CD LYS A 124 4.730 18.424 -11.956 1.00 11.43 C ATOM 1863 CE LYS A 124 5.414 18.943 -13.226 1.00 41.14 C ATOM 1864 NZ LYS A 124 6.685 18.232 -13.498 1.00 33.55 N ATOM 0 H LYS A 124 2.104 18.208 -7.955 1.00 23.32 H new ATOM 0 HA LYS A 124 4.661 18.625 -9.136 1.00 21.53 H new ATOM 0 HB2 LYS A 124 2.653 17.667 -10.286 1.00 53.43 H new ATOM 0 HB3 LYS A 124 1.841 19.215 -10.161 1.00 53.43 H new ATOM 0 HG2 LYS A 124 2.685 18.964 -12.426 1.00 72.10 H new ATOM 0 HG3 LYS A 124 3.591 20.240 -11.637 1.00 72.10 H new ATOM 0 HD2 LYS A 124 5.413 18.529 -11.113 1.00 11.43 H new ATOM 0 HD3 LYS A 124 4.525 17.359 -12.069 1.00 11.43 H new ATOM 0 HE2 LYS A 124 4.742 18.823 -14.076 1.00 41.14 H new ATOM 0 HE3 LYS A 124 5.610 20.010 -13.123 1.00 41.14 H new ATOM 0 HZ1 LYS A 124 7.230 18.756 -14.212 1.00 33.55 H new ATOM 0 HZ2 LYS A 124 7.239 18.163 -12.621 1.00 33.55 H new ATOM 0 HZ3 LYS A 124 6.479 17.276 -13.853 1.00 33.55 H new