USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 871 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 39 GLN : amide:sc= -0.604 X(o=-0.62,f=-0.29) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.0178 X(o=-0.62,f=-0.29) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.546 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -138:sc= -2.04! USER MOD Single : A 12 SER OG : rot 150:sc= 0.00727 USER MOD Single : A 14 ASN : amide:sc= 0.19 K(o=0.19,f=-5.7!) USER MOD Single : A 16 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.32) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0122 (180deg=-0.164) USER MOD Single : A 27 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.33 K(o=0.33,f=-0.88) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 175:sc= -0.598 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0348 K(o=-0.035,f=-0.92) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.21) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0172) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.78! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.675 K(o=-0.67,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= -0.0668 (180deg=-0.35) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.57) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 55:sc= 0.789 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.722 34.014 -1.449 1.00 0.00 N ATOM 2 CA GLY A 1 -16.132 33.446 -2.646 1.00 0.00 C ATOM 3 C GLY A 1 -14.651 33.165 -2.484 1.00 0.00 C ATOM 4 O GLY A 1 -14.216 32.017 -2.583 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.735 34.188 -1.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.606 33.350 -0.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.249 34.911 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.649 32.520 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.280 34.131 -3.481 1.00 0.00 H new ATOM 8 N SER A 2 -13.874 34.214 -2.237 1.00 0.00 N ATOM 9 CA SER A 2 -12.432 34.075 -2.067 1.00 0.00 C ATOM 10 C SER A 2 -11.947 34.880 -0.865 1.00 0.00 C ATOM 11 O SER A 2 -11.785 36.097 -0.943 1.00 0.00 O ATOM 12 CB SER A 2 -11.702 34.535 -3.330 1.00 0.00 C ATOM 13 OG SER A 2 -12.076 35.855 -3.684 1.00 0.00 O ATOM 0 H SER A 2 -14.218 35.170 -2.150 1.00 0.00 H new ATOM 0 HA SER A 2 -12.211 33.022 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.625 34.490 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.929 33.857 -4.152 1.00 0.00 H new ATOM 0 HG SER A 2 -12.113 36.412 -2.878 1.00 0.00 H new ATOM 19 N SER A 3 -11.718 34.189 0.248 1.00 0.00 N ATOM 20 CA SER A 3 -11.255 34.838 1.469 1.00 0.00 C ATOM 21 C SER A 3 -9.813 35.313 1.318 1.00 0.00 C ATOM 22 O SER A 3 -9.533 36.509 1.375 1.00 0.00 O ATOM 23 CB SER A 3 -11.367 33.879 2.655 1.00 0.00 C ATOM 24 OG SER A 3 -12.723 33.592 2.953 1.00 0.00 O ATOM 0 H SER A 3 -11.846 33.180 0.329 1.00 0.00 H new ATOM 0 HA SER A 3 -11.888 35.706 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.837 32.953 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.885 34.318 3.528 1.00 0.00 H new ATOM 0 HG SER A 3 -12.767 32.976 3.714 1.00 0.00 H new ATOM 30 N GLY A 4 -8.901 34.364 1.127 1.00 0.00 N ATOM 31 CA GLY A 4 -7.499 34.704 0.972 1.00 0.00 C ATOM 32 C GLY A 4 -6.633 34.105 2.062 1.00 0.00 C ATOM 33 O GLY A 4 -6.227 32.947 1.975 1.00 0.00 O ATOM 0 H GLY A 4 -9.108 33.367 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.149 34.354 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.388 35.788 0.979 1.00 0.00 H new ATOM 37 N SER A 5 -6.348 34.897 3.091 1.00 0.00 N ATOM 38 CA SER A 5 -5.520 34.440 4.201 1.00 0.00 C ATOM 39 C SER A 5 -6.356 33.679 5.226 1.00 0.00 C ATOM 40 O SER A 5 -7.411 34.148 5.654 1.00 0.00 O ATOM 41 CB SER A 5 -4.828 35.628 4.872 1.00 0.00 C ATOM 42 OG SER A 5 -3.817 36.167 4.037 1.00 0.00 O ATOM 0 H SER A 5 -6.678 35.858 3.179 1.00 0.00 H new ATOM 0 HA SER A 5 -4.763 33.765 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.563 36.399 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.391 35.311 5.819 1.00 0.00 H new ATOM 0 HG SER A 5 -3.391 36.926 4.487 1.00 0.00 H new ATOM 48 N SER A 6 -5.878 32.502 5.614 1.00 0.00 N ATOM 49 CA SER A 6 -6.582 31.673 6.585 1.00 0.00 C ATOM 50 C SER A 6 -5.706 31.403 7.805 1.00 0.00 C ATOM 51 O SER A 6 -4.479 31.455 7.726 1.00 0.00 O ATOM 52 CB SER A 6 -7.007 30.350 5.945 1.00 0.00 C ATOM 53 OG SER A 6 -5.915 29.452 5.857 1.00 0.00 O ATOM 0 H SER A 6 -5.005 32.100 5.271 1.00 0.00 H new ATOM 0 HA SER A 6 -7.471 32.213 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.807 29.899 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.409 30.537 4.949 1.00 0.00 H new ATOM 0 HG SER A 6 -6.213 28.614 5.446 1.00 0.00 H new ATOM 59 N GLY A 7 -6.347 31.113 8.934 1.00 0.00 N ATOM 60 CA GLY A 7 -5.612 30.839 10.155 1.00 0.00 C ATOM 61 C GLY A 7 -6.145 29.626 10.892 1.00 0.00 C ATOM 62 O GLY A 7 -5.501 28.578 10.923 1.00 0.00 O ATOM 0 H GLY A 7 -7.362 31.063 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.560 30.682 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.663 31.709 10.809 1.00 0.00 H new ATOM 66 N MET A 8 -7.323 29.770 11.489 1.00 0.00 N ATOM 67 CA MET A 8 -7.942 28.676 12.230 1.00 0.00 C ATOM 68 C MET A 8 -8.718 27.756 11.295 1.00 0.00 C ATOM 69 O MET A 8 -9.682 27.109 11.704 1.00 0.00 O ATOM 70 CB MET A 8 -8.873 29.228 13.311 1.00 0.00 C ATOM 71 CG MET A 8 -9.990 30.101 12.763 1.00 0.00 C ATOM 72 SD MET A 8 -11.473 29.159 12.359 1.00 0.00 S ATOM 73 CE MET A 8 -12.531 30.453 11.714 1.00 0.00 C ATOM 0 H MET A 8 -7.868 30.632 11.475 1.00 0.00 H new ATOM 0 HA MET A 8 -7.150 28.097 12.704 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.311 28.395 13.862 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.286 29.808 14.023 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.240 30.868 13.497 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.638 30.617 11.870 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.490 30.026 11.420 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.691 31.209 12.483 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.057 30.912 10.847 1.00 0.00 H new ATOM 83 N SER A 9 -8.292 27.702 10.037 1.00 0.00 N ATOM 84 CA SER A 9 -8.951 26.863 9.042 1.00 0.00 C ATOM 85 C SER A 9 -8.712 25.385 9.334 1.00 0.00 C ATOM 86 O SER A 9 -7.581 24.962 9.571 1.00 0.00 O ATOM 87 CB SER A 9 -8.445 27.206 7.639 1.00 0.00 C ATOM 88 OG SER A 9 -9.002 26.336 6.669 1.00 0.00 O ATOM 0 H SER A 9 -7.494 28.229 9.682 1.00 0.00 H new ATOM 0 HA SER A 9 -10.023 27.057 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.703 28.237 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.358 27.135 7.614 1.00 0.00 H new ATOM 0 HG SER A 9 -8.664 26.577 5.781 1.00 0.00 H new ATOM 94 N SER A 10 -9.787 24.603 9.314 1.00 0.00 N ATOM 95 CA SER A 10 -9.697 23.172 9.581 1.00 0.00 C ATOM 96 C SER A 10 -8.640 22.520 8.694 1.00 0.00 C ATOM 97 O SER A 10 -8.467 22.896 7.534 1.00 0.00 O ATOM 98 CB SER A 10 -11.054 22.503 9.353 1.00 0.00 C ATOM 99 OG SER A 10 -11.012 21.132 9.707 1.00 0.00 O ATOM 0 H SER A 10 -10.730 24.936 9.116 1.00 0.00 H new ATOM 0 HA SER A 10 -9.405 23.039 10.623 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.817 23.011 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.341 22.603 8.306 1.00 0.00 H new ATOM 0 HG SER A 10 -11.891 20.728 9.554 1.00 0.00 H new ATOM 105 N THR A 11 -7.934 21.540 9.249 1.00 0.00 N ATOM 106 CA THR A 11 -6.894 20.836 8.511 1.00 0.00 C ATOM 107 C THR A 11 -7.409 20.351 7.161 1.00 0.00 C ATOM 108 O THR A 11 -8.568 19.959 7.033 1.00 0.00 O ATOM 109 CB THR A 11 -6.359 19.629 9.307 1.00 0.00 C ATOM 110 OG1 THR A 11 -5.304 18.991 8.579 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.471 18.628 9.582 1.00 0.00 C ATOM 0 H THR A 11 -8.064 21.216 10.207 1.00 0.00 H new ATOM 0 HA THR A 11 -6.083 21.547 8.353 1.00 0.00 H new ATOM 0 HB THR A 11 -5.974 19.991 10.260 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.406 18.018 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.071 17.785 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.259 19.109 10.161 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.882 18.272 8.637 1.00 0.00 H new ATOM 119 N SER A 12 -6.539 20.381 6.156 1.00 0.00 N ATOM 120 CA SER A 12 -6.908 19.947 4.813 1.00 0.00 C ATOM 121 C SER A 12 -7.485 18.535 4.838 1.00 0.00 C ATOM 122 O SER A 12 -7.172 17.724 5.709 1.00 0.00 O ATOM 123 CB SER A 12 -5.692 19.997 3.886 1.00 0.00 C ATOM 124 OG SER A 12 -5.551 21.279 3.298 1.00 0.00 O ATOM 0 H SER A 12 -5.575 20.701 6.246 1.00 0.00 H new ATOM 0 HA SER A 12 -7.672 20.626 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.792 19.751 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.795 19.244 3.104 1.00 0.00 H new ATOM 0 HG SER A 12 -4.603 21.458 3.127 1.00 0.00 H new ATOM 130 N PRO A 13 -8.350 18.233 3.858 1.00 0.00 N ATOM 131 CA PRO A 13 -8.990 16.919 3.743 1.00 0.00 C ATOM 132 C PRO A 13 -8.004 15.827 3.343 1.00 0.00 C ATOM 133 O PRO A 13 -8.152 14.670 3.733 1.00 0.00 O ATOM 134 CB PRO A 13 -10.033 17.127 2.643 1.00 0.00 C ATOM 135 CG PRO A 13 -9.503 18.255 1.827 1.00 0.00 C ATOM 136 CD PRO A 13 -8.769 19.151 2.786 1.00 0.00 C ATOM 0 HA PRO A 13 -9.412 16.587 4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.158 16.227 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.009 17.367 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.837 17.891 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.312 18.792 1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.914 19.632 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.412 19.945 3.166 1.00 0.00 H new ATOM 144 N ASN A 14 -6.996 16.204 2.562 1.00 0.00 N ATOM 145 CA ASN A 14 -5.985 15.255 2.109 1.00 0.00 C ATOM 146 C ASN A 14 -5.165 14.731 3.284 1.00 0.00 C ATOM 147 O ASN A 14 -4.895 13.533 3.382 1.00 0.00 O ATOM 148 CB ASN A 14 -5.061 15.914 1.082 1.00 0.00 C ATOM 149 CG ASN A 14 -5.818 16.793 0.105 1.00 0.00 C ATOM 150 OD1 ASN A 14 -6.502 17.736 0.502 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.698 16.486 -1.182 1.00 0.00 N ATOM 0 H ASN A 14 -6.858 17.159 2.230 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.496 14.413 1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.313 16.513 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.524 15.141 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.184 17.041 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.120 15.695 -1.466 1.00 0.00 H new ATOM 158 N LEU A 15 -4.772 15.636 4.175 1.00 0.00 N ATOM 159 CA LEU A 15 -3.983 15.265 5.345 1.00 0.00 C ATOM 160 C LEU A 15 -4.813 14.438 6.321 1.00 0.00 C ATOM 161 O LEU A 15 -4.468 13.299 6.633 1.00 0.00 O ATOM 162 CB LEU A 15 -3.452 16.518 6.043 1.00 0.00 C ATOM 163 CG LEU A 15 -2.847 16.307 7.431 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.611 15.424 7.347 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.506 17.644 8.074 1.00 0.00 C ATOM 0 H LEU A 15 -4.987 16.631 4.109 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.141 14.659 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.695 16.972 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.268 17.235 6.130 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.586 15.804 8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.194 15.285 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.884 14.455 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.868 15.898 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.077 17.474 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.785 18.174 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.412 18.243 8.171 1.00 0.00 H new ATOM 177 N GLN A 16 -5.909 15.019 6.798 1.00 0.00 N ATOM 178 CA GLN A 16 -6.789 14.335 7.738 1.00 0.00 C ATOM 179 C GLN A 16 -6.970 12.872 7.347 1.00 0.00 C ATOM 180 O GLN A 16 -6.923 11.981 8.196 1.00 0.00 O ATOM 181 CB GLN A 16 -8.149 15.032 7.796 1.00 0.00 C ATOM 182 CG GLN A 16 -9.053 14.510 8.902 1.00 0.00 C ATOM 183 CD GLN A 16 -8.510 14.803 10.287 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.687 15.900 10.816 1.00 0.00 O ATOM 185 NE2 GLN A 16 -7.845 13.820 10.882 1.00 0.00 N ATOM 0 H GLN A 16 -6.209 15.962 6.549 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.327 14.374 8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.994 16.101 7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.653 14.908 6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.041 14.959 8.801 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.179 13.434 8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.722 12.926 10.406 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.457 13.958 11.815 1.00 0.00 H new ATOM 194 N LYS A 17 -7.178 12.631 6.057 1.00 0.00 N ATOM 195 CA LYS A 17 -7.365 11.276 5.552 1.00 0.00 C ATOM 196 C LYS A 17 -6.149 10.408 5.858 1.00 0.00 C ATOM 197 O LYS A 17 -6.284 9.238 6.217 1.00 0.00 O ATOM 198 CB LYS A 17 -7.620 11.302 4.043 1.00 0.00 C ATOM 199 CG LYS A 17 -7.792 9.923 3.431 1.00 0.00 C ATOM 200 CD LYS A 17 -8.707 9.962 2.219 1.00 0.00 C ATOM 201 CE LYS A 17 -9.459 8.651 2.046 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.710 8.619 2.853 1.00 0.00 N ATOM 0 H LYS A 17 -7.221 13.357 5.342 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.232 10.845 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.514 11.892 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.789 11.807 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.818 9.529 3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.202 9.242 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.419 10.780 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.119 10.166 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.702 8.508 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.816 7.822 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.194 7.710 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.476 8.730 3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.335 9.395 2.555 1.00 0.00 H new ATOM 216 N ALA A 18 -4.962 10.988 5.714 1.00 0.00 N ATOM 217 CA ALA A 18 -3.723 10.269 5.979 1.00 0.00 C ATOM 218 C ALA A 18 -3.676 9.766 7.418 1.00 0.00 C ATOM 219 O ALA A 18 -3.357 8.603 7.668 1.00 0.00 O ATOM 220 CB ALA A 18 -2.523 11.159 5.690 1.00 0.00 C ATOM 0 H ALA A 18 -4.833 11.955 5.415 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.687 9.403 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.604 10.608 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.540 11.464 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.564 12.043 6.326 1.00 0.00 H new ATOM 226 N ILE A 19 -3.995 10.648 8.358 1.00 0.00 N ATOM 227 CA ILE A 19 -3.989 10.292 9.772 1.00 0.00 C ATOM 228 C ILE A 19 -5.024 9.213 10.071 1.00 0.00 C ATOM 229 O ILE A 19 -4.687 8.136 10.563 1.00 0.00 O ATOM 230 CB ILE A 19 -4.270 11.518 10.662 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.177 12.572 10.476 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.369 11.100 12.122 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.478 13.567 9.378 1.00 0.00 C ATOM 0 H ILE A 19 -4.261 11.614 8.167 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.993 9.910 9.998 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.223 11.955 10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.038 13.109 11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.235 12.071 10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.568 11.977 12.739 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.180 10.381 12.241 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.430 10.642 12.434 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.661 14.284 9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.587 13.041 8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.403 14.095 9.609 1.00 0.00 H new ATOM 245 N ASP A 20 -6.283 9.508 9.769 1.00 0.00 N ATOM 246 CA ASP A 20 -7.367 8.561 10.003 1.00 0.00 C ATOM 247 C ASP A 20 -7.033 7.195 9.412 1.00 0.00 C ATOM 248 O ASP A 20 -7.180 6.168 10.075 1.00 0.00 O ATOM 249 CB ASP A 20 -8.671 9.087 9.398 1.00 0.00 C ATOM 250 CG ASP A 20 -9.896 8.579 10.134 1.00 0.00 C ATOM 251 OD1 ASP A 20 -10.345 7.455 9.830 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.405 9.307 11.011 1.00 0.00 O ATOM 0 H ASP A 20 -6.579 10.395 9.362 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.493 8.450 11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.664 10.177 9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.729 8.788 8.351 1.00 0.00 H new ATOM 257 N LEU A 21 -6.584 7.191 8.162 1.00 0.00 N ATOM 258 CA LEU A 21 -6.229 5.950 7.481 1.00 0.00 C ATOM 259 C LEU A 21 -5.167 5.184 8.263 1.00 0.00 C ATOM 260 O LEU A 21 -5.347 4.011 8.588 1.00 0.00 O ATOM 261 CB LEU A 21 -5.724 6.248 6.068 1.00 0.00 C ATOM 262 CG LEU A 21 -6.789 6.635 5.042 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.139 7.091 3.745 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.733 5.469 4.787 1.00 0.00 C ATOM 0 H LEU A 21 -6.457 8.032 7.599 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.123 5.330 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.995 7.056 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.196 5.369 5.700 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.370 7.465 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.912 7.363 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.505 7.956 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.533 6.282 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.484 5.763 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.167 4.619 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.225 5.189 5.718 1.00 0.00 H new ATOM 276 N ALA A 22 -4.061 5.857 8.563 1.00 0.00 N ATOM 277 CA ALA A 22 -2.971 5.241 9.310 1.00 0.00 C ATOM 278 C ALA A 22 -3.466 4.681 10.640 1.00 0.00 C ATOM 279 O ALA A 22 -3.124 3.561 11.018 1.00 0.00 O ATOM 280 CB ALA A 22 -1.855 6.248 9.542 1.00 0.00 C ATOM 0 H ALA A 22 -3.896 6.829 8.300 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.580 4.413 8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.048 5.774 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.475 6.598 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.241 7.095 10.110 1.00 0.00 H new ATOM 286 N SER A 23 -4.271 5.469 11.346 1.00 0.00 N ATOM 287 CA SER A 23 -4.808 5.054 12.636 1.00 0.00 C ATOM 288 C SER A 23 -5.566 3.735 12.510 1.00 0.00 C ATOM 289 O SER A 23 -5.363 2.811 13.298 1.00 0.00 O ATOM 290 CB SER A 23 -5.733 6.134 13.199 1.00 0.00 C ATOM 291 OG SER A 23 -5.872 6.006 14.604 1.00 0.00 O ATOM 0 H SER A 23 -4.565 6.398 11.046 1.00 0.00 H new ATOM 0 HA SER A 23 -3.972 4.909 13.320 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.335 7.120 12.958 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.712 6.061 12.726 1.00 0.00 H new ATOM 0 HG SER A 23 -6.467 6.709 14.939 1.00 0.00 H new ATOM 297 N LYS A 24 -6.440 3.656 11.513 1.00 0.00 N ATOM 298 CA LYS A 24 -7.229 2.452 11.280 1.00 0.00 C ATOM 299 C LYS A 24 -6.325 1.238 11.089 1.00 0.00 C ATOM 300 O LYS A 24 -6.542 0.190 11.697 1.00 0.00 O ATOM 301 CB LYS A 24 -8.123 2.633 10.051 1.00 0.00 C ATOM 302 CG LYS A 24 -9.382 1.784 10.085 1.00 0.00 C ATOM 303 CD LYS A 24 -10.417 2.280 9.089 1.00 0.00 C ATOM 304 CE LYS A 24 -11.802 1.740 9.407 1.00 0.00 C ATOM 305 NZ LYS A 24 -12.378 2.374 10.625 1.00 0.00 N ATOM 0 H LYS A 24 -6.620 4.412 10.853 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.855 2.283 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.405 3.683 9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.552 2.385 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.129 0.747 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.805 1.800 11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.439 3.370 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.129 1.976 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.464 1.915 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.747 0.661 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.402 2.194 10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.927 1.972 11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.208 3.400 10.596 1.00 0.00 H new ATOM 319 N ALA A 25 -5.312 1.387 10.243 1.00 0.00 N ATOM 320 CA ALA A 25 -4.374 0.304 9.976 1.00 0.00 C ATOM 321 C ALA A 25 -4.055 -0.472 11.249 1.00 0.00 C ATOM 322 O ALA A 25 -4.332 -1.667 11.344 1.00 0.00 O ATOM 323 CB ALA A 25 -3.097 0.853 9.356 1.00 0.00 C ATOM 0 H ALA A 25 -5.120 2.248 9.730 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.841 -0.383 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.405 0.033 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.335 1.357 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.635 1.563 10.042 1.00 0.00 H new ATOM 329 N ALA A 26 -3.470 0.215 12.225 1.00 0.00 N ATOM 330 CA ALA A 26 -3.115 -0.411 13.493 1.00 0.00 C ATOM 331 C ALA A 26 -4.257 -1.274 14.018 1.00 0.00 C ATOM 332 O ALA A 26 -4.075 -2.459 14.294 1.00 0.00 O ATOM 333 CB ALA A 26 -2.738 0.649 14.517 1.00 0.00 C ATOM 0 H ALA A 26 -3.232 1.205 12.162 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.255 -1.058 13.322 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.475 0.168 15.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.885 1.221 14.151 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.583 1.319 14.675 1.00 0.00 H new ATOM 339 N GLN A 27 -5.434 -0.671 14.155 1.00 0.00 N ATOM 340 CA GLN A 27 -6.605 -1.386 14.649 1.00 0.00 C ATOM 341 C GLN A 27 -6.708 -2.768 14.012 1.00 0.00 C ATOM 342 O GLN A 27 -6.783 -3.778 14.711 1.00 0.00 O ATOM 343 CB GLN A 27 -7.876 -0.584 14.363 1.00 0.00 C ATOM 344 CG GLN A 27 -7.864 0.811 14.967 1.00 0.00 C ATOM 345 CD GLN A 27 -9.259 1.344 15.233 1.00 0.00 C ATOM 346 OE1 GLN A 27 -10.254 0.667 14.973 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.338 2.562 15.754 1.00 0.00 N ATOM 0 H GLN A 27 -5.602 0.310 13.931 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.496 -1.510 15.726 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.009 -0.503 13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.736 -1.131 14.750 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.302 0.794 15.901 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.342 1.490 14.293 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.487 3.088 15.954 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.250 2.973 15.955 1.00 0.00 H new ATOM 356 N GLU A 28 -6.710 -2.804 12.684 1.00 0.00 N ATOM 357 CA GLU A 28 -6.805 -4.063 11.954 1.00 0.00 C ATOM 358 C GLU A 28 -5.716 -5.034 12.402 1.00 0.00 C ATOM 359 O GLU A 28 -6.003 -6.160 12.808 1.00 0.00 O ATOM 360 CB GLU A 28 -6.696 -3.815 10.448 1.00 0.00 C ATOM 361 CG GLU A 28 -7.797 -2.926 9.896 1.00 0.00 C ATOM 362 CD GLU A 28 -9.111 -3.663 9.724 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.422 -4.524 10.572 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.827 -3.378 8.741 1.00 0.00 O ATOM 0 H GLU A 28 -6.647 -1.976 12.091 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.776 -4.508 12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.730 -3.359 10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.719 -4.773 9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.945 -2.079 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.483 -2.521 8.934 1.00 0.00 H new ATOM 371 N ASP A 29 -4.467 -4.590 12.322 1.00 0.00 N ATOM 372 CA ASP A 29 -3.334 -5.418 12.719 1.00 0.00 C ATOM 373 C ASP A 29 -3.552 -6.007 14.109 1.00 0.00 C ATOM 374 O ASP A 29 -3.471 -7.221 14.301 1.00 0.00 O ATOM 375 CB ASP A 29 -2.043 -4.599 12.695 1.00 0.00 C ATOM 376 CG ASP A 29 -0.803 -5.472 12.692 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.636 -6.267 13.640 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.001 -5.360 11.742 1.00 0.00 O ATOM 0 H ASP A 29 -4.213 -3.661 11.986 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.248 -6.238 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.037 -3.962 11.811 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.018 -3.940 13.563 1.00 0.00 H new ATOM 383 N LYS A 30 -3.829 -5.140 15.077 1.00 0.00 N ATOM 384 CA LYS A 30 -4.059 -5.572 16.450 1.00 0.00 C ATOM 385 C LYS A 30 -5.099 -6.686 16.503 1.00 0.00 C ATOM 386 O LYS A 30 -4.959 -7.643 17.263 1.00 0.00 O ATOM 387 CB LYS A 30 -4.517 -4.391 17.309 1.00 0.00 C ATOM 388 CG LYS A 30 -4.348 -4.622 18.800 1.00 0.00 C ATOM 389 CD LYS A 30 -4.501 -3.329 19.585 1.00 0.00 C ATOM 390 CE LYS A 30 -5.964 -2.970 19.788 1.00 0.00 C ATOM 391 NZ LYS A 30 -6.173 -2.175 21.030 1.00 0.00 N ATOM 0 H LYS A 30 -3.900 -4.132 14.935 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.119 -5.957 16.845 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.954 -3.503 17.021 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.566 -4.185 17.098 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.086 -5.347 19.143 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.365 -5.052 18.994 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.012 -3.431 20.554 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.997 -2.520 19.057 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.321 -2.402 18.929 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.558 -3.882 19.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.183 -1.950 21.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.856 -2.727 21.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.626 -1.292 20.973 1.00 0.00 H new ATOM 405 N ALA A 31 -6.141 -6.556 15.688 1.00 0.00 N ATOM 406 CA ALA A 31 -7.203 -7.554 15.639 1.00 0.00 C ATOM 407 C ALA A 31 -6.740 -8.813 14.915 1.00 0.00 C ATOM 408 O ALA A 31 -7.222 -9.911 15.189 1.00 0.00 O ATOM 409 CB ALA A 31 -8.438 -6.977 14.963 1.00 0.00 C ATOM 0 H ALA A 31 -6.272 -5.769 15.052 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.458 -7.829 16.663 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.223 -7.733 14.933 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.789 -6.111 15.524 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.188 -6.673 13.946 1.00 0.00 H new ATOM 415 N GLY A 32 -5.801 -8.646 13.988 1.00 0.00 N ATOM 416 CA GLY A 32 -5.290 -9.778 13.238 1.00 0.00 C ATOM 417 C GLY A 32 -5.297 -9.534 11.742 1.00 0.00 C ATOM 418 O GLY A 32 -4.591 -10.206 10.993 1.00 0.00 O ATOM 0 H GLY A 32 -5.386 -7.747 13.743 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.272 -9.995 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.891 -10.659 13.462 1.00 0.00 H new ATOM 422 N ASN A 33 -6.101 -8.569 11.306 1.00 0.00 N ATOM 423 CA ASN A 33 -6.200 -8.239 9.888 1.00 0.00 C ATOM 424 C ASN A 33 -4.904 -7.611 9.385 1.00 0.00 C ATOM 425 O ASN A 33 -4.638 -6.433 9.625 1.00 0.00 O ATOM 426 CB ASN A 33 -7.370 -7.284 9.646 1.00 0.00 C ATOM 427 CG ASN A 33 -8.688 -8.016 9.479 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.747 -9.078 8.858 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.753 -7.450 10.035 1.00 0.00 N ATOM 0 H ASN A 33 -6.693 -8.002 11.913 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.374 -9.163 9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.447 -6.589 10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.172 -6.690 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.667 -7.896 9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.657 -6.569 10.540 1.00 0.00 H new ATOM 436 N TYR A 34 -4.101 -8.404 8.684 1.00 0.00 N ATOM 437 CA TYR A 34 -2.832 -7.927 8.148 1.00 0.00 C ATOM 438 C TYR A 34 -3.007 -7.394 6.729 1.00 0.00 C ATOM 439 O TYR A 34 -2.432 -6.370 6.364 1.00 0.00 O ATOM 440 CB TYR A 34 -1.795 -9.051 8.159 1.00 0.00 C ATOM 441 CG TYR A 34 -1.101 -9.221 9.491 1.00 0.00 C ATOM 442 CD1 TYR A 34 -1.800 -9.080 10.684 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.254 -9.522 9.558 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.171 -9.234 11.904 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.891 -9.679 10.773 1.00 0.00 C ATOM 446 CZ TYR A 34 0.175 -9.534 11.943 1.00 0.00 C ATOM 447 OH TYR A 34 0.807 -9.688 13.156 1.00 0.00 O ATOM 0 H TYR A 34 -4.307 -9.381 8.474 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.481 -7.113 8.782 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.284 -9.988 7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.047 -8.851 7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.854 -8.846 10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.818 -9.635 8.644 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.729 -9.120 12.821 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.945 -9.914 10.807 1.00 0.00 H new ATOM 0 HH TYR A 34 1.753 -9.898 13.008 1.00 0.00 H new ATOM 457 N GLU A 35 -3.806 -8.099 5.933 1.00 0.00 N ATOM 458 CA GLU A 35 -4.056 -7.698 4.554 1.00 0.00 C ATOM 459 C GLU A 35 -4.694 -6.313 4.498 1.00 0.00 C ATOM 460 O GLU A 35 -4.281 -5.460 3.713 1.00 0.00 O ATOM 461 CB GLU A 35 -4.962 -8.717 3.859 1.00 0.00 C ATOM 462 CG GLU A 35 -4.747 -8.798 2.357 1.00 0.00 C ATOM 463 CD GLU A 35 -5.452 -9.985 1.730 1.00 0.00 C ATOM 464 OE1 GLU A 35 -6.600 -10.272 2.130 1.00 0.00 O ATOM 465 OE2 GLU A 35 -4.856 -10.628 0.841 1.00 0.00 O ATOM 0 H GLU A 35 -4.290 -8.950 6.220 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.099 -7.660 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.790 -9.701 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.003 -8.459 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.106 -7.880 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.679 -8.863 2.150 1.00 0.00 H new ATOM 472 N GLU A 36 -5.704 -6.098 5.335 1.00 0.00 N ATOM 473 CA GLU A 36 -6.400 -4.818 5.379 1.00 0.00 C ATOM 474 C GLU A 36 -5.495 -3.725 5.942 1.00 0.00 C ATOM 475 O GLU A 36 -5.453 -2.611 5.422 1.00 0.00 O ATOM 476 CB GLU A 36 -7.669 -4.930 6.228 1.00 0.00 C ATOM 477 CG GLU A 36 -8.779 -3.991 5.790 1.00 0.00 C ATOM 478 CD GLU A 36 -9.575 -4.533 4.618 1.00 0.00 C ATOM 479 OE1 GLU A 36 -10.274 -5.552 4.796 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.497 -3.939 3.523 1.00 0.00 O ATOM 0 H GLU A 36 -6.058 -6.794 5.991 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.676 -4.549 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.035 -5.956 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.419 -4.723 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.451 -3.813 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.348 -3.028 5.517 1.00 0.00 H new ATOM 487 N ALA A 37 -4.771 -4.055 7.007 1.00 0.00 N ATOM 488 CA ALA A 37 -3.866 -3.104 7.639 1.00 0.00 C ATOM 489 C ALA A 37 -2.788 -2.640 6.664 1.00 0.00 C ATOM 490 O ALA A 37 -2.421 -1.465 6.641 1.00 0.00 O ATOM 491 CB ALA A 37 -3.231 -3.721 8.876 1.00 0.00 C ATOM 0 H ALA A 37 -4.794 -4.974 7.450 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.447 -2.232 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.557 -2.999 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.011 -3.996 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.669 -4.611 8.591 1.00 0.00 H new ATOM 497 N LEU A 38 -2.285 -3.571 5.861 1.00 0.00 N ATOM 498 CA LEU A 38 -1.248 -3.258 4.884 1.00 0.00 C ATOM 499 C LEU A 38 -1.675 -2.099 3.988 1.00 0.00 C ATOM 500 O LEU A 38 -1.052 -1.038 3.991 1.00 0.00 O ATOM 501 CB LEU A 38 -0.935 -4.488 4.031 1.00 0.00 C ATOM 502 CG LEU A 38 0.027 -4.269 2.862 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.429 -3.978 3.373 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.033 -5.480 1.941 1.00 0.00 C ATOM 0 H LEU A 38 -2.578 -4.548 5.867 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.350 -2.962 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.517 -5.258 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.872 -4.879 3.635 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.316 -3.406 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.100 -3.825 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.412 -3.080 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.782 -4.820 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.723 -5.306 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.351 -6.360 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.970 -5.643 1.547 1.00 0.00 H new ATOM 516 N GLN A 39 -2.742 -2.311 3.225 1.00 0.00 N ATOM 517 CA GLN A 39 -3.254 -1.283 2.326 1.00 0.00 C ATOM 518 C GLN A 39 -3.394 0.052 3.049 1.00 0.00 C ATOM 519 O GLN A 39 -2.853 1.068 2.610 1.00 0.00 O ATOM 520 CB GLN A 39 -4.605 -1.708 1.747 1.00 0.00 C ATOM 521 CG GLN A 39 -4.501 -2.812 0.707 1.00 0.00 C ATOM 522 CD GLN A 39 -3.626 -2.425 -0.469 1.00 0.00 C ATOM 523 OE1 GLN A 39 -4.101 -1.846 -1.447 1.00 0.00 O ATOM 524 NE2 GLN A 39 -2.340 -2.743 -0.380 1.00 0.00 N ATOM 0 H GLN A 39 -3.269 -3.184 3.211 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.540 -1.161 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.249 -2.045 2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.087 -0.840 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.098 -3.710 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.499 -3.061 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.989 -3.223 0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.703 -2.508 -1.141 1.00 0.00 H new ATOM 533 N LEU A 40 -4.124 0.044 4.159 1.00 0.00 N ATOM 534 CA LEU A 40 -4.336 1.255 4.944 1.00 0.00 C ATOM 535 C LEU A 40 -3.008 1.917 5.294 1.00 0.00 C ATOM 536 O LEU A 40 -2.863 3.136 5.192 1.00 0.00 O ATOM 537 CB LEU A 40 -5.109 0.929 6.223 1.00 0.00 C ATOM 538 CG LEU A 40 -6.607 0.672 6.055 1.00 0.00 C ATOM 539 CD1 LEU A 40 -7.179 0.015 7.301 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.340 1.970 5.749 1.00 0.00 C ATOM 0 H LEU A 40 -4.579 -0.788 4.536 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.920 1.951 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.659 0.048 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.979 1.754 6.923 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.747 -0.008 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.246 -0.160 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.675 -0.936 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.027 0.669 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.405 1.768 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.192 2.673 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.949 2.400 4.827 1.00 0.00 H new ATOM 552 N TYR A 41 -2.039 1.106 5.704 1.00 0.00 N ATOM 553 CA TYR A 41 -0.722 1.613 6.070 1.00 0.00 C ATOM 554 C TYR A 41 -0.072 2.338 4.895 1.00 0.00 C ATOM 555 O TYR A 41 0.439 3.448 5.044 1.00 0.00 O ATOM 556 CB TYR A 41 0.178 0.467 6.536 1.00 0.00 C ATOM 557 CG TYR A 41 0.036 0.146 8.007 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.215 1.129 8.972 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.276 -1.140 8.431 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.088 0.841 10.318 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.407 -1.437 9.774 1.00 0.00 C ATOM 562 CZ TYR A 41 -0.224 -0.444 10.713 1.00 0.00 C ATOM 563 OH TYR A 41 -0.352 -0.736 12.052 1.00 0.00 O ATOM 0 H TYR A 41 -2.141 0.095 5.791 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.849 2.323 6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.053 -0.425 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.217 0.724 6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.458 2.136 8.665 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.419 -1.921 7.698 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.232 1.617 11.056 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.651 -2.441 10.087 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.653 -1.663 12.157 1.00 0.00 H new ATOM 573 N GLN A 42 -0.097 1.702 3.728 1.00 0.00 N ATOM 574 CA GLN A 42 0.489 2.286 2.528 1.00 0.00 C ATOM 575 C GLN A 42 -0.230 3.575 2.142 1.00 0.00 C ATOM 576 O GLN A 42 0.401 4.612 1.933 1.00 0.00 O ATOM 577 CB GLN A 42 0.431 1.289 1.369 1.00 0.00 C ATOM 578 CG GLN A 42 1.116 -0.034 1.670 1.00 0.00 C ATOM 579 CD GLN A 42 1.542 -0.769 0.415 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.591 -0.483 -0.161 1.00 0.00 O ATOM 581 NE2 GLN A 42 0.726 -1.724 -0.017 1.00 0.00 N ATOM 0 H GLN A 42 -0.517 0.783 3.588 1.00 0.00 H new ATOM 0 HA GLN A 42 1.531 2.523 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.612 1.099 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.896 1.738 0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.991 0.148 2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.440 -0.666 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.134 -1.928 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.960 -2.253 -0.857 1.00 0.00 H new ATOM 590 N HIS A 43 -1.554 3.503 2.050 1.00 0.00 N ATOM 591 CA HIS A 43 -2.360 4.664 1.689 1.00 0.00 C ATOM 592 C HIS A 43 -1.992 5.869 2.551 1.00 0.00 C ATOM 593 O HIS A 43 -1.717 6.951 2.035 1.00 0.00 O ATOM 594 CB HIS A 43 -3.847 4.347 1.843 1.00 0.00 C ATOM 595 CG HIS A 43 -4.462 3.747 0.616 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.948 4.504 -0.429 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.667 2.455 0.270 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.427 3.703 -1.364 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.268 2.455 -0.965 1.00 0.00 N ATOM 0 H HIS A 43 -2.092 2.653 2.220 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.155 4.908 0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.979 3.660 2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.381 5.263 2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.407 1.586 0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.873 4.016 -2.296 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.546 1.625 -1.489 1.00 0.00 H new ATOM 608 N ALA A 44 -1.992 5.672 3.865 1.00 0.00 N ATOM 609 CA ALA A 44 -1.657 6.741 4.797 1.00 0.00 C ATOM 610 C ALA A 44 -0.458 7.543 4.305 1.00 0.00 C ATOM 611 O ALA A 44 -0.505 8.772 4.236 1.00 0.00 O ATOM 612 CB ALA A 44 -1.381 6.169 6.180 1.00 0.00 C ATOM 0 H ALA A 44 -2.220 4.782 4.308 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.511 7.416 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.132 6.979 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.267 5.647 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.546 5.471 6.125 1.00 0.00 H new ATOM 618 N VAL A 45 0.618 6.841 3.964 1.00 0.00 N ATOM 619 CA VAL A 45 1.831 7.488 3.477 1.00 0.00 C ATOM 620 C VAL A 45 1.566 8.250 2.183 1.00 0.00 C ATOM 621 O VAL A 45 1.964 9.406 2.040 1.00 0.00 O ATOM 622 CB VAL A 45 2.956 6.464 3.237 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.220 7.162 2.757 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.226 5.663 4.501 1.00 0.00 C ATOM 0 H VAL A 45 0.675 5.824 4.016 1.00 0.00 H new ATOM 0 HA VAL A 45 2.148 8.189 4.249 1.00 0.00 H new ATOM 0 HB VAL A 45 2.634 5.772 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.004 6.423 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.014 7.686 1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.549 7.878 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.024 4.944 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.527 6.338 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.321 5.132 4.795 1.00 0.00 H new ATOM 634 N GLN A 46 0.892 7.594 1.244 1.00 0.00 N ATOM 635 CA GLN A 46 0.575 8.209 -0.039 1.00 0.00 C ATOM 636 C GLN A 46 -0.010 9.604 0.157 1.00 0.00 C ATOM 637 O GLN A 46 0.444 10.570 -0.458 1.00 0.00 O ATOM 638 CB GLN A 46 -0.410 7.336 -0.818 1.00 0.00 C ATOM 639 CG GLN A 46 0.100 5.927 -1.077 1.00 0.00 C ATOM 640 CD GLN A 46 -0.889 5.082 -1.855 1.00 0.00 C ATOM 641 OE1 GLN A 46 -2.039 5.476 -2.053 1.00 0.00 O ATOM 642 NE2 GLN A 46 -0.446 3.913 -2.303 1.00 0.00 N ATOM 0 H GLN A 46 0.555 6.637 1.348 1.00 0.00 H new ATOM 0 HA GLN A 46 1.500 8.298 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.348 7.278 -0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.631 7.815 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.039 5.980 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.316 5.442 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.515 3.626 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.066 3.302 -2.834 1.00 0.00 H new ATOM 651 N TYR A 47 -1.019 9.702 1.015 1.00 0.00 N ATOM 652 CA TYR A 47 -1.667 10.979 1.290 1.00 0.00 C ATOM 653 C TYR A 47 -0.709 11.938 1.990 1.00 0.00 C ATOM 654 O TYR A 47 -0.527 13.077 1.559 1.00 0.00 O ATOM 655 CB TYR A 47 -2.914 10.767 2.151 1.00 0.00 C ATOM 656 CG TYR A 47 -4.045 10.081 1.420 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.912 10.802 0.608 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.249 8.712 1.542 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.948 10.180 -0.062 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.281 8.081 0.875 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.128 8.819 0.074 1.00 0.00 C ATOM 662 OH TYR A 47 -7.158 8.195 -0.591 1.00 0.00 O ATOM 0 H TYR A 47 -1.406 8.913 1.532 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.961 11.420 0.338 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.645 10.174 3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.262 11.733 2.516 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.774 11.868 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.589 8.131 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.613 10.756 -0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.424 7.016 0.980 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.145 7.236 -0.389 1.00 0.00 H new ATOM 672 N PHE A 48 -0.097 11.468 3.072 1.00 0.00 N ATOM 673 CA PHE A 48 0.843 12.282 3.833 1.00 0.00 C ATOM 674 C PHE A 48 1.814 13.003 2.903 1.00 0.00 C ATOM 675 O PHE A 48 2.013 14.214 3.013 1.00 0.00 O ATOM 676 CB PHE A 48 1.619 11.411 4.824 1.00 0.00 C ATOM 677 CG PHE A 48 0.892 11.183 6.118 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.437 12.253 6.871 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.664 9.897 6.582 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.232 12.047 8.062 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.005 9.684 7.773 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.453 10.760 8.514 1.00 0.00 C ATOM 0 H PHE A 48 -0.235 10.527 3.441 1.00 0.00 H new ATOM 0 HA PHE A 48 0.274 13.029 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.830 10.447 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.580 11.881 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.607 13.261 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.013 9.052 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.582 12.890 8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.177 8.677 8.124 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.975 10.596 9.445 1.00 0.00 H new ATOM 692 N LEU A 49 2.417 12.252 1.989 1.00 0.00 N ATOM 693 CA LEU A 49 3.369 12.818 1.039 1.00 0.00 C ATOM 694 C LEU A 49 2.741 13.970 0.261 1.00 0.00 C ATOM 695 O LEU A 49 3.177 15.116 0.368 1.00 0.00 O ATOM 696 CB LEU A 49 3.857 11.739 0.071 1.00 0.00 C ATOM 697 CG LEU A 49 4.868 10.740 0.634 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.090 9.597 -0.343 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.184 11.435 0.952 1.00 0.00 C ATOM 0 H LEU A 49 2.264 11.249 1.885 1.00 0.00 H new ATOM 0 HA LEU A 49 4.220 13.204 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.991 11.184 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.304 12.230 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 49 4.465 10.327 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.813 8.896 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.146 9.082 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.471 9.992 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.892 10.709 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.592 11.876 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.013 12.219 1.690 1.00 0.00 H new ATOM 711 N HIS A 50 1.713 13.657 -0.522 1.00 0.00 N ATOM 712 CA HIS A 50 1.023 14.667 -1.317 1.00 0.00 C ATOM 713 C HIS A 50 0.941 15.991 -0.562 1.00 0.00 C ATOM 714 O HIS A 50 1.288 17.044 -1.097 1.00 0.00 O ATOM 715 CB HIS A 50 -0.383 14.187 -1.681 1.00 0.00 C ATOM 716 CG HIS A 50 -0.962 14.880 -2.876 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.644 14.534 -4.173 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.844 15.902 -2.966 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.305 15.315 -5.008 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.041 16.154 -4.301 1.00 0.00 N ATOM 0 H HIS A 50 1.340 12.713 -0.623 1.00 0.00 H new ATOM 0 HA HIS A 50 1.594 14.825 -2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.354 13.114 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.043 14.341 -0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.307 16.423 -2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.253 15.275 -6.086 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.656 16.872 -4.685 1.00 0.00 H new ATOM 729 N VAL A 51 0.481 15.929 0.683 1.00 0.00 N ATOM 730 CA VAL A 51 0.354 17.122 1.512 1.00 0.00 C ATOM 731 C VAL A 51 1.685 17.858 1.622 1.00 0.00 C ATOM 732 O VAL A 51 1.788 19.034 1.270 1.00 0.00 O ATOM 733 CB VAL A 51 -0.145 16.773 2.926 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.228 18.024 3.787 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.494 16.074 2.856 1.00 0.00 C ATOM 0 H VAL A 51 0.190 15.065 1.140 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.377 17.768 1.027 1.00 0.00 H new ATOM 0 HB VAL A 51 0.569 16.091 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.583 17.758 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.759 18.479 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.920 18.733 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.832 15.834 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.220 16.731 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.398 15.155 2.277 1.00 0.00 H new ATOM 745 N VAL A 52 2.703 17.159 2.112 1.00 0.00 N ATOM 746 CA VAL A 52 4.029 17.745 2.267 1.00 0.00 C ATOM 747 C VAL A 52 4.512 18.365 0.961 1.00 0.00 C ATOM 748 O VAL A 52 5.413 19.205 0.955 1.00 0.00 O ATOM 749 CB VAL A 52 5.056 16.695 2.735 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.458 17.285 2.739 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.687 16.166 4.112 1.00 0.00 C ATOM 0 H VAL A 52 2.635 16.185 2.409 1.00 0.00 H new ATOM 0 HA VAL A 52 3.944 18.523 3.026 1.00 0.00 H new ATOM 0 HB VAL A 52 5.041 15.860 2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.170 16.530 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.719 17.610 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.492 18.139 3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.423 15.426 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.672 16.989 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.701 15.703 4.072 1.00 0.00 H new ATOM 761 N LYS A 53 3.907 17.947 -0.145 1.00 0.00 N ATOM 762 CA LYS A 53 4.273 18.462 -1.459 1.00 0.00 C ATOM 763 C LYS A 53 3.504 19.741 -1.776 1.00 0.00 C ATOM 764 O LYS A 53 4.099 20.797 -1.995 1.00 0.00 O ATOM 765 CB LYS A 53 4.000 17.410 -2.537 1.00 0.00 C ATOM 766 CG LYS A 53 4.752 17.657 -3.833 1.00 0.00 C ATOM 767 CD LYS A 53 4.230 16.779 -4.957 1.00 0.00 C ATOM 768 CE LYS A 53 4.969 17.042 -6.260 1.00 0.00 C ATOM 769 NZ LYS A 53 6.302 16.377 -6.285 1.00 0.00 N ATOM 0 H LYS A 53 3.160 17.252 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 53 5.338 18.693 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.272 16.428 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.931 17.386 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.657 18.706 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.814 17.462 -3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.339 15.730 -4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.165 16.962 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.369 16.684 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.096 18.116 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.774 16.580 -7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.884 16.737 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.179 15.349 -6.182 1.00 0.00 H new ATOM 783 N TYR A 54 2.180 19.640 -1.797 1.00 0.00 N ATOM 784 CA TYR A 54 1.330 20.788 -2.087 1.00 0.00 C ATOM 785 C TYR A 54 0.919 21.500 -0.802 1.00 0.00 C ATOM 786 O TYR A 54 1.168 22.694 -0.635 1.00 0.00 O ATOM 787 CB TYR A 54 0.085 20.346 -2.858 1.00 0.00 C ATOM 788 CG TYR A 54 0.398 19.615 -4.145 1.00 0.00 C ATOM 789 CD1 TYR A 54 0.628 18.245 -4.150 1.00 0.00 C ATOM 790 CD2 TYR A 54 0.464 20.295 -5.354 1.00 0.00 C ATOM 791 CE1 TYR A 54 0.914 17.573 -5.323 1.00 0.00 C ATOM 792 CE2 TYR A 54 0.749 19.632 -6.532 1.00 0.00 C ATOM 793 CZ TYR A 54 0.973 18.271 -6.511 1.00 0.00 C ATOM 794 OH TYR A 54 1.259 17.607 -7.682 1.00 0.00 O ATOM 0 H TYR A 54 1.672 18.774 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 54 1.901 21.485 -2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.517 19.699 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.521 21.223 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.582 17.696 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.290 21.361 -5.374 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.090 16.508 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.796 20.176 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 54 1.261 18.244 -8.427 1.00 0.00 H new ATOM 804 N GLU A 55 0.288 20.758 0.103 1.00 0.00 N ATOM 805 CA GLU A 55 -0.158 21.319 1.373 1.00 0.00 C ATOM 806 C GLU A 55 0.992 21.382 2.373 1.00 0.00 C ATOM 807 O GLU A 55 0.830 21.041 3.545 1.00 0.00 O ATOM 808 CB GLU A 55 -1.304 20.484 1.950 1.00 0.00 C ATOM 809 CG GLU A 55 -2.606 20.622 1.178 1.00 0.00 C ATOM 810 CD GLU A 55 -2.901 22.057 0.783 1.00 0.00 C ATOM 811 OE1 GLU A 55 -3.387 22.820 1.644 1.00 0.00 O ATOM 812 OE2 GLU A 55 -2.646 22.416 -0.385 1.00 0.00 O ATOM 0 H GLU A 55 0.074 19.768 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.513 22.333 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.008 19.435 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.472 20.780 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.559 20.004 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.427 20.240 1.786 1.00 0.00 H new ATOM 819 N ALA A 56 2.155 21.821 1.902 1.00 0.00 N ATOM 820 CA ALA A 56 3.332 21.931 2.754 1.00 0.00 C ATOM 821 C ALA A 56 3.149 23.021 3.805 1.00 0.00 C ATOM 822 O ALA A 56 2.514 24.043 3.548 1.00 0.00 O ATOM 823 CB ALA A 56 4.569 22.210 1.913 1.00 0.00 C ATOM 0 H ALA A 56 2.307 22.106 0.935 1.00 0.00 H new ATOM 0 HA ALA A 56 3.465 20.981 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.440 22.290 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.718 21.396 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.436 23.145 1.369 1.00 0.00 H new ATOM 829 N GLN A 57 3.709 22.794 4.989 1.00 0.00 N ATOM 830 CA GLN A 57 3.605 23.757 6.080 1.00 0.00 C ATOM 831 C GLN A 57 4.977 24.309 6.451 1.00 0.00 C ATOM 832 O GLN A 57 5.147 25.516 6.621 1.00 0.00 O ATOM 833 CB GLN A 57 2.956 23.107 7.303 1.00 0.00 C ATOM 834 CG GLN A 57 1.544 22.604 7.047 1.00 0.00 C ATOM 835 CD GLN A 57 0.872 22.088 8.304 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.151 22.820 8.982 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.106 20.820 8.623 1.00 0.00 N ATOM 0 H GLN A 57 4.239 21.953 5.217 1.00 0.00 H new ATOM 0 HA GLN A 57 2.980 24.584 5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.576 22.273 7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.933 23.829 8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.946 23.411 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.575 21.808 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.710 20.249 8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.681 20.418 9.458 1.00 0.00 H new ATOM 846 N GLY A 58 5.955 23.417 6.574 1.00 0.00 N ATOM 847 CA GLY A 58 7.300 23.834 6.925 1.00 0.00 C ATOM 848 C GLY A 58 8.174 22.673 7.356 1.00 0.00 C ATOM 849 O GLY A 58 7.738 21.521 7.345 1.00 0.00 O ATOM 0 H GLY A 58 5.840 22.413 6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.758 24.331 6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.251 24.566 7.731 1.00 0.00 H new ATOM 853 N ASP A 59 9.411 22.974 7.734 1.00 0.00 N ATOM 854 CA ASP A 59 10.349 21.946 8.170 1.00 0.00 C ATOM 855 C ASP A 59 9.828 21.225 9.409 1.00 0.00 C ATOM 856 O ASP A 59 9.893 19.998 9.501 1.00 0.00 O ATOM 857 CB ASP A 59 11.717 22.564 8.462 1.00 0.00 C ATOM 858 CG ASP A 59 12.501 21.774 9.492 1.00 0.00 C ATOM 859 OD1 ASP A 59 12.677 20.554 9.294 1.00 0.00 O ATOM 860 OD2 ASP A 59 12.939 22.376 10.495 1.00 0.00 O ATOM 0 H ASP A 59 9.788 23.922 7.747 1.00 0.00 H new ATOM 0 HA ASP A 59 10.452 21.219 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.292 22.621 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.583 23.586 8.817 1.00 0.00 H new ATOM 865 N LYS A 60 9.311 21.994 10.361 1.00 0.00 N ATOM 866 CA LYS A 60 8.777 21.430 11.596 1.00 0.00 C ATOM 867 C LYS A 60 7.781 20.314 11.298 1.00 0.00 C ATOM 868 O LYS A 60 7.924 19.195 11.788 1.00 0.00 O ATOM 869 CB LYS A 60 8.103 22.521 12.430 1.00 0.00 C ATOM 870 CG LYS A 60 9.051 23.234 13.380 1.00 0.00 C ATOM 871 CD LYS A 60 9.990 24.167 12.634 1.00 0.00 C ATOM 872 CE LYS A 60 11.178 24.567 13.496 1.00 0.00 C ATOM 873 NZ LYS A 60 10.755 25.324 14.707 1.00 0.00 N ATOM 0 H LYS A 60 9.250 23.010 10.301 1.00 0.00 H new ATOM 0 HA LYS A 60 9.608 21.010 12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.655 23.254 11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.291 22.077 13.006 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.476 23.803 14.111 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.633 22.498 13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.345 23.678 11.727 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.447 25.060 12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.724 23.674 13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.864 25.176 12.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.594 25.593 15.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.241 26.181 14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.134 24.727 15.290 1.00 0.00 H new ATOM 887 N ALA A 61 6.772 20.628 10.491 1.00 0.00 N ATOM 888 CA ALA A 61 5.754 19.651 10.126 1.00 0.00 C ATOM 889 C ALA A 61 6.330 18.572 9.215 1.00 0.00 C ATOM 890 O ALA A 61 6.156 17.378 9.460 1.00 0.00 O ATOM 891 CB ALA A 61 4.578 20.341 9.452 1.00 0.00 C ATOM 0 H ALA A 61 6.638 21.551 10.078 1.00 0.00 H new ATOM 0 HA ALA A 61 5.404 19.170 11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.825 19.599 9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.143 21.069 10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.922 20.850 8.551 1.00 0.00 H new ATOM 897 N LYS A 62 7.017 19.000 8.161 1.00 0.00 N ATOM 898 CA LYS A 62 7.619 18.072 7.212 1.00 0.00 C ATOM 899 C LYS A 62 8.265 16.895 7.937 1.00 0.00 C ATOM 900 O LYS A 62 7.925 15.739 7.686 1.00 0.00 O ATOM 901 CB LYS A 62 8.664 18.792 6.356 1.00 0.00 C ATOM 902 CG LYS A 62 8.068 19.565 5.192 1.00 0.00 C ATOM 903 CD LYS A 62 8.929 20.760 4.818 1.00 0.00 C ATOM 904 CE LYS A 62 8.181 21.723 3.909 1.00 0.00 C ATOM 905 NZ LYS A 62 9.109 22.627 3.175 1.00 0.00 N ATOM 0 H LYS A 62 7.171 19.984 7.943 1.00 0.00 H new ATOM 0 HA LYS A 62 6.829 17.689 6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.228 19.479 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.373 18.059 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.965 18.905 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.066 19.905 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.243 21.281 5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.834 20.415 4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.584 21.157 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.488 22.319 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.561 23.268 2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.661 23.185 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.754 22.060 2.588 1.00 0.00 H new ATOM 919 N GLN A 63 9.195 17.198 8.836 1.00 0.00 N ATOM 920 CA GLN A 63 9.886 16.164 9.598 1.00 0.00 C ATOM 921 C GLN A 63 8.894 15.307 10.377 1.00 0.00 C ATOM 922 O GLN A 63 9.015 14.082 10.418 1.00 0.00 O ATOM 923 CB GLN A 63 10.895 16.796 10.557 1.00 0.00 C ATOM 924 CG GLN A 63 11.953 17.637 9.861 1.00 0.00 C ATOM 925 CD GLN A 63 12.938 18.258 10.832 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.546 18.923 11.791 1.00 0.00 O ATOM 927 NE2 GLN A 63 14.225 18.043 10.588 1.00 0.00 N ATOM 0 H GLN A 63 9.488 18.150 9.055 1.00 0.00 H new ATOM 0 HA GLN A 63 10.417 15.523 8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.361 17.420 11.274 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.387 16.007 11.126 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.495 17.015 9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.466 18.427 9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.505 17.485 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.934 18.435 11.207 1.00 0.00 H new ATOM 936 N SER A 64 7.913 15.958 10.994 1.00 0.00 N ATOM 937 CA SER A 64 6.902 15.255 11.775 1.00 0.00 C ATOM 938 C SER A 64 6.185 14.213 10.924 1.00 0.00 C ATOM 939 O SER A 64 6.108 13.040 11.293 1.00 0.00 O ATOM 940 CB SER A 64 5.889 16.248 12.347 1.00 0.00 C ATOM 941 OG SER A 64 6.366 16.830 13.548 1.00 0.00 O ATOM 0 H SER A 64 7.797 16.971 10.968 1.00 0.00 H new ATOM 0 HA SER A 64 7.403 14.744 12.597 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.689 17.030 11.615 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.944 15.739 12.536 1.00 0.00 H new ATOM 0 HG SER A 64 5.701 17.462 13.892 1.00 0.00 H new ATOM 947 N ILE A 65 5.662 14.648 9.782 1.00 0.00 N ATOM 948 CA ILE A 65 4.952 13.753 8.877 1.00 0.00 C ATOM 949 C ILE A 65 5.884 12.683 8.319 1.00 0.00 C ATOM 950 O ILE A 65 5.548 11.499 8.306 1.00 0.00 O ATOM 951 CB ILE A 65 4.315 14.525 7.707 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.315 15.558 8.232 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.635 13.562 6.745 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.917 16.592 7.202 1.00 0.00 C ATOM 0 H ILE A 65 5.717 15.615 9.462 1.00 0.00 H new ATOM 0 HA ILE A 65 4.163 13.276 9.459 1.00 0.00 H new ATOM 0 HB ILE A 65 5.102 15.052 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.421 15.041 8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.747 16.064 9.095 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.189 14.123 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.371 12.862 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.857 13.010 7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.207 17.291 7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.802 17.135 6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.455 16.096 6.348 1.00 0.00 H new ATOM 966 N ARG A 66 7.056 13.109 7.860 1.00 0.00 N ATOM 967 CA ARG A 66 8.038 12.187 7.301 1.00 0.00 C ATOM 968 C ARG A 66 8.320 11.041 8.268 1.00 0.00 C ATOM 969 O ARG A 66 8.225 9.869 7.902 1.00 0.00 O ATOM 970 CB ARG A 66 9.337 12.926 6.977 1.00 0.00 C ATOM 971 CG ARG A 66 9.297 13.678 5.656 1.00 0.00 C ATOM 972 CD ARG A 66 10.517 14.570 5.486 1.00 0.00 C ATOM 973 NE ARG A 66 11.740 13.795 5.297 1.00 0.00 N ATOM 974 CZ ARG A 66 12.820 14.265 4.683 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.828 15.500 4.201 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.895 13.498 4.550 1.00 0.00 N ATOM 0 H ARG A 66 7.349 14.086 7.864 1.00 0.00 H new ATOM 0 HA ARG A 66 7.626 11.771 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.554 13.630 7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.157 12.208 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.248 12.966 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.392 14.284 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.369 15.228 4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.624 15.208 6.363 1.00 0.00 H new ATOM 0 HE ARG A 66 11.766 12.841 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.003 16.092 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.659 15.858 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.892 12.547 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.724 13.859 4.078 1.00 0.00 H new ATOM 990 N ALA A 67 8.667 11.387 9.503 1.00 0.00 N ATOM 991 CA ALA A 67 8.962 10.388 10.522 1.00 0.00 C ATOM 992 C ALA A 67 7.908 9.286 10.531 1.00 0.00 C ATOM 993 O ALA A 67 8.228 8.108 10.690 1.00 0.00 O ATOM 994 CB ALA A 67 9.055 11.043 11.892 1.00 0.00 C ATOM 0 H ALA A 67 8.751 12.352 9.822 1.00 0.00 H new ATOM 0 HA ALA A 67 9.923 9.934 10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.276 10.285 12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.849 11.789 11.885 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.107 11.525 12.130 1.00 0.00 H new ATOM 1000 N LYS A 68 6.649 9.676 10.361 1.00 0.00 N ATOM 1001 CA LYS A 68 5.547 8.721 10.349 1.00 0.00 C ATOM 1002 C LYS A 68 5.592 7.855 9.095 1.00 0.00 C ATOM 1003 O LYS A 68 5.437 6.635 9.166 1.00 0.00 O ATOM 1004 CB LYS A 68 4.207 9.457 10.426 1.00 0.00 C ATOM 1005 CG LYS A 68 3.718 9.683 11.846 1.00 0.00 C ATOM 1006 CD LYS A 68 4.576 10.702 12.576 1.00 0.00 C ATOM 1007 CE LYS A 68 4.575 10.457 14.078 1.00 0.00 C ATOM 1008 NZ LYS A 68 5.354 11.495 14.809 1.00 0.00 N ATOM 0 H LYS A 68 6.366 10.647 10.230 1.00 0.00 H new ATOM 0 HA LYS A 68 5.650 8.074 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.302 10.421 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.457 8.886 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.683 10.025 11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.730 8.739 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.598 10.656 12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.205 11.706 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.548 10.448 14.444 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.996 9.473 14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.329 11.293 15.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.340 11.486 14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.937 12.431 14.631 1.00 0.00 H new ATOM 1022 N CYS A 69 5.806 8.491 7.949 1.00 0.00 N ATOM 1023 CA CYS A 69 5.871 7.777 6.678 1.00 0.00 C ATOM 1024 C CYS A 69 6.834 6.598 6.766 1.00 0.00 C ATOM 1025 O CYS A 69 6.547 5.509 6.269 1.00 0.00 O ATOM 1026 CB CYS A 69 6.307 8.725 5.559 1.00 0.00 C ATOM 1027 SG CYS A 69 5.015 9.865 5.013 1.00 0.00 S ATOM 0 H CYS A 69 5.938 9.500 7.873 1.00 0.00 H new ATOM 0 HA CYS A 69 4.876 7.394 6.453 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.166 9.303 5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.640 8.134 4.706 1.00 0.00 H new ATOM 0 HG CYS A 69 5.479 10.626 4.067 1.00 0.00 H new ATOM 1033 N THR A 70 7.981 6.823 7.402 1.00 0.00 N ATOM 1034 CA THR A 70 8.988 5.780 7.553 1.00 0.00 C ATOM 1035 C THR A 70 8.518 4.698 8.518 1.00 0.00 C ATOM 1036 O THR A 70 8.696 3.507 8.263 1.00 0.00 O ATOM 1037 CB THR A 70 10.323 6.359 8.058 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.810 7.343 7.138 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.360 5.258 8.227 1.00 0.00 C ATOM 0 H THR A 70 8.235 7.718 7.820 1.00 0.00 H new ATOM 0 HA THR A 70 9.140 5.341 6.567 1.00 0.00 H new ATOM 0 HB THR A 70 10.148 6.825 9.028 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.658 7.707 7.467 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.295 5.690 8.584 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.999 4.526 8.949 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.530 4.768 7.268 1.00 0.00 H new ATOM 1047 N GLU A 71 7.918 5.120 9.626 1.00 0.00 N ATOM 1048 CA GLU A 71 7.423 4.185 10.630 1.00 0.00 C ATOM 1049 C GLU A 71 6.410 3.219 10.021 1.00 0.00 C ATOM 1050 O GLU A 71 6.577 2.001 10.091 1.00 0.00 O ATOM 1051 CB GLU A 71 6.784 4.943 11.795 1.00 0.00 C ATOM 1052 CG GLU A 71 6.202 4.036 12.866 1.00 0.00 C ATOM 1053 CD GLU A 71 7.151 2.924 13.268 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.359 3.202 13.422 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.687 1.775 13.427 1.00 0.00 O ATOM 0 H GLU A 71 7.763 6.103 9.851 1.00 0.00 H new ATOM 0 HA GLU A 71 8.271 3.610 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.532 5.593 12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.995 5.588 11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.953 4.631 13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.272 3.600 12.502 1.00 0.00 H new ATOM 1062 N TYR A 72 5.359 3.772 9.425 1.00 0.00 N ATOM 1063 CA TYR A 72 4.317 2.961 8.806 1.00 0.00 C ATOM 1064 C TYR A 72 4.872 2.170 7.625 1.00 0.00 C ATOM 1065 O TYR A 72 4.613 0.974 7.486 1.00 0.00 O ATOM 1066 CB TYR A 72 3.160 3.846 8.344 1.00 0.00 C ATOM 1067 CG TYR A 72 2.526 4.647 9.459 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.037 4.020 10.599 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.416 6.029 9.373 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.457 4.747 11.621 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.839 6.764 10.390 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.361 6.119 11.512 1.00 0.00 C ATOM 1073 OH TYR A 72 0.784 6.848 12.527 1.00 0.00 O ATOM 0 H TYR A 72 5.206 4.778 9.358 1.00 0.00 H new ATOM 0 HA TYR A 72 3.950 2.256 9.551 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.522 4.531 7.577 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.398 3.220 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.112 2.946 10.688 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.788 6.537 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.081 4.244 12.500 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.762 7.838 10.307 1.00 0.00 H new ATOM 0 HH TYR A 72 0.796 7.800 12.294 1.00 0.00 H new ATOM 1083 N LEU A 73 5.637 2.848 6.776 1.00 0.00 N ATOM 1084 CA LEU A 73 6.230 2.210 5.605 1.00 0.00 C ATOM 1085 C LEU A 73 6.959 0.928 5.993 1.00 0.00 C ATOM 1086 O LEU A 73 6.822 -0.101 5.332 1.00 0.00 O ATOM 1087 CB LEU A 73 7.197 3.171 4.912 1.00 0.00 C ATOM 1088 CG LEU A 73 6.569 4.173 3.942 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.562 5.271 3.592 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.087 3.466 2.684 1.00 0.00 C ATOM 0 H LEU A 73 5.861 3.838 6.876 1.00 0.00 H new ATOM 0 HA LEU A 73 5.426 1.953 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.736 3.727 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.935 2.582 4.367 1.00 0.00 H new ATOM 0 HG LEU A 73 5.709 4.632 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.098 5.975 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.859 5.796 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.442 4.830 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.643 4.194 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.931 2.980 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.342 2.717 2.951 1.00 0.00 H new ATOM 1102 N ASP A 74 7.733 0.998 7.071 1.00 0.00 N ATOM 1103 CA ASP A 74 8.481 -0.158 7.550 1.00 0.00 C ATOM 1104 C ASP A 74 7.537 -1.262 8.017 1.00 0.00 C ATOM 1105 O ASP A 74 7.716 -2.431 7.675 1.00 0.00 O ATOM 1106 CB ASP A 74 9.414 0.249 8.692 1.00 0.00 C ATOM 1107 CG ASP A 74 10.630 -0.650 8.795 1.00 0.00 C ATOM 1108 OD1 ASP A 74 10.456 -1.886 8.787 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.756 -0.117 8.884 1.00 0.00 O ATOM 0 H ASP A 74 7.858 1.843 7.629 1.00 0.00 H new ATOM 0 HA ASP A 74 9.078 -0.541 6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.739 1.279 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.865 0.222 9.633 1.00 0.00 H new ATOM 1114 N ARG A 75 6.533 -0.882 8.800 1.00 0.00 N ATOM 1115 CA ARG A 75 5.562 -1.840 9.315 1.00 0.00 C ATOM 1116 C ARG A 75 4.915 -2.625 8.178 1.00 0.00 C ATOM 1117 O ARG A 75 4.976 -3.853 8.145 1.00 0.00 O ATOM 1118 CB ARG A 75 4.485 -1.119 10.129 1.00 0.00 C ATOM 1119 CG ARG A 75 3.366 -2.033 10.602 1.00 0.00 C ATOM 1120 CD ARG A 75 3.834 -2.956 11.716 1.00 0.00 C ATOM 1121 NE ARG A 75 2.716 -3.492 12.488 1.00 0.00 N ATOM 1122 CZ ARG A 75 2.829 -3.934 13.735 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.004 -3.904 14.349 1.00 0.00 N ATOM 1124 NH2 ARG A 75 1.766 -4.408 14.372 1.00 0.00 N ATOM 0 H ARG A 75 6.371 0.082 9.092 1.00 0.00 H new ATOM 0 HA ARG A 75 6.089 -2.541 9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.950 -0.649 10.996 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.058 -0.319 9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.528 -1.432 10.954 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.002 -2.628 9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.407 -3.779 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.505 -2.411 12.380 1.00 0.00 H new ATOM 0 HE ARG A 75 1.798 -3.529 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.824 -3.541 13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.088 -4.244 15.307 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.860 -4.433 13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.855 -4.747 15.330 1.00 0.00 H new ATOM 1138 N ALA A 76 4.296 -1.906 7.247 1.00 0.00 N ATOM 1139 CA ALA A 76 3.640 -2.534 6.107 1.00 0.00 C ATOM 1140 C ALA A 76 4.569 -3.527 5.417 1.00 0.00 C ATOM 1141 O ALA A 76 4.206 -4.682 5.201 1.00 0.00 O ATOM 1142 CB ALA A 76 3.168 -1.476 5.121 1.00 0.00 C ATOM 0 H ALA A 76 4.235 -0.888 7.260 1.00 0.00 H new ATOM 0 HA ALA A 76 2.774 -3.083 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.680 -1.959 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.462 -0.808 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.024 -0.901 4.767 1.00 0.00 H new ATOM 1148 N GLU A 77 5.769 -3.067 5.074 1.00 0.00 N ATOM 1149 CA GLU A 77 6.749 -3.916 4.407 1.00 0.00 C ATOM 1150 C GLU A 77 6.741 -5.323 4.997 1.00 0.00 C ATOM 1151 O GLU A 77 6.733 -6.315 4.268 1.00 0.00 O ATOM 1152 CB GLU A 77 8.148 -3.309 4.527 1.00 0.00 C ATOM 1153 CG GLU A 77 8.466 -2.295 3.441 1.00 0.00 C ATOM 1154 CD GLU A 77 8.984 -2.943 2.171 1.00 0.00 C ATOM 1155 OE1 GLU A 77 8.329 -3.884 1.675 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.043 -2.509 1.673 1.00 0.00 O ATOM 0 H GLU A 77 6.085 -2.113 5.247 1.00 0.00 H new ATOM 0 HA GLU A 77 6.478 -3.981 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.244 -2.828 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.887 -4.110 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.568 -1.721 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.209 -1.590 3.814 1.00 0.00 H new ATOM 1163 N LYS A 78 6.744 -5.402 6.324 1.00 0.00 N ATOM 1164 CA LYS A 78 6.737 -6.686 7.014 1.00 0.00 C ATOM 1165 C LYS A 78 5.464 -7.466 6.701 1.00 0.00 C ATOM 1166 O LYS A 78 5.519 -8.606 6.239 1.00 0.00 O ATOM 1167 CB LYS A 78 6.861 -6.477 8.525 1.00 0.00 C ATOM 1168 CG LYS A 78 8.217 -5.945 8.956 1.00 0.00 C ATOM 1169 CD LYS A 78 9.205 -7.071 9.204 1.00 0.00 C ATOM 1170 CE LYS A 78 10.637 -6.558 9.246 1.00 0.00 C ATOM 1171 NZ LYS A 78 10.972 -5.958 10.567 1.00 0.00 N ATOM 0 H LYS A 78 6.751 -4.591 6.943 1.00 0.00 H new ATOM 0 HA LYS A 78 7.592 -7.264 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.087 -5.783 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.674 -7.424 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.609 -5.279 8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.104 -5.352 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.967 -7.565 10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.109 -7.820 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.323 -7.378 9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.779 -5.814 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.956 -5.620 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.334 -5.159 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.861 -6.675 11.312 1.00 0.00 H new ATOM 1185 N LEU A 79 4.318 -6.843 6.953 1.00 0.00 N ATOM 1186 CA LEU A 79 3.030 -7.478 6.696 1.00 0.00 C ATOM 1187 C LEU A 79 3.081 -8.319 5.425 1.00 0.00 C ATOM 1188 O LEU A 79 2.559 -9.433 5.383 1.00 0.00 O ATOM 1189 CB LEU A 79 1.932 -6.419 6.578 1.00 0.00 C ATOM 1190 CG LEU A 79 1.611 -5.639 7.853 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.558 -4.577 7.578 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.144 -6.583 8.952 1.00 0.00 C ATOM 0 H LEU A 79 4.254 -5.899 7.335 1.00 0.00 H new ATOM 0 HA LEU A 79 2.803 -8.136 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.223 -5.708 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.020 -6.907 6.235 1.00 0.00 H new ATOM 0 HG LEU A 79 2.520 -5.141 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.342 -4.032 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.929 -3.883 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.353 -5.053 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.920 -6.011 9.852 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.247 -7.109 8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.930 -7.307 9.168 1.00 0.00 H new ATOM 1204 N LYS A 80 3.715 -7.779 4.390 1.00 0.00 N ATOM 1205 CA LYS A 80 3.838 -8.480 3.117 1.00 0.00 C ATOM 1206 C LYS A 80 4.526 -9.828 3.303 1.00 0.00 C ATOM 1207 O LYS A 80 3.929 -10.877 3.062 1.00 0.00 O ATOM 1208 CB LYS A 80 4.624 -7.629 2.117 1.00 0.00 C ATOM 1209 CG LYS A 80 4.014 -6.259 1.872 1.00 0.00 C ATOM 1210 CD LYS A 80 4.995 -5.327 1.181 1.00 0.00 C ATOM 1211 CE LYS A 80 4.335 -4.014 0.789 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.122 -3.284 -0.243 1.00 0.00 N ATOM 0 H LYS A 80 4.152 -6.858 4.408 1.00 0.00 H new ATOM 0 HA LYS A 80 2.835 -8.654 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.643 -7.504 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.688 -8.164 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.117 -6.363 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.704 -5.823 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.838 -5.128 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.396 -5.814 0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.332 -4.211 0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.224 -3.386 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.639 -2.395 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.070 -3.074 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.207 -3.873 -1.096 1.00 0.00 H new ATOM 1226 N GLU A 81 5.783 -9.793 3.735 1.00 0.00 N ATOM 1227 CA GLU A 81 6.550 -11.013 3.954 1.00 0.00 C ATOM 1228 C GLU A 81 5.733 -12.035 4.740 1.00 0.00 C ATOM 1229 O GLU A 81 5.732 -13.224 4.419 1.00 0.00 O ATOM 1230 CB GLU A 81 7.848 -10.699 4.700 1.00 0.00 C ATOM 1231 CG GLU A 81 8.909 -10.049 3.827 1.00 0.00 C ATOM 1232 CD GLU A 81 9.622 -11.047 2.935 1.00 0.00 C ATOM 1233 OE1 GLU A 81 9.003 -12.072 2.580 1.00 0.00 O ATOM 1234 OE2 GLU A 81 10.798 -10.803 2.592 1.00 0.00 O ATOM 0 H GLU A 81 6.291 -8.933 3.940 1.00 0.00 H new ATOM 0 HA GLU A 81 6.793 -11.439 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.625 -10.039 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.249 -11.622 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.445 -9.281 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.640 -9.548 4.462 1.00 0.00 H new ATOM 1241 N TYR A 82 5.041 -11.564 5.770 1.00 0.00 N ATOM 1242 CA TYR A 82 4.223 -12.436 6.605 1.00 0.00 C ATOM 1243 C TYR A 82 3.052 -13.007 5.811 1.00 0.00 C ATOM 1244 O TYR A 82 2.757 -14.201 5.889 1.00 0.00 O ATOM 1245 CB TYR A 82 3.702 -11.670 7.822 1.00 0.00 C ATOM 1246 CG TYR A 82 2.403 -12.216 8.371 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.185 -11.872 7.798 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.394 -13.077 9.462 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.004 -12.367 8.296 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.210 -13.578 9.966 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.013 -13.220 9.380 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.169 -13.717 9.878 1.00 0.00 O ATOM 0 H TYR A 82 5.030 -10.583 6.048 1.00 0.00 H new ATOM 0 HA TYR A 82 4.847 -13.263 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.458 -11.695 8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.560 -10.624 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.168 -11.206 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.329 -13.359 9.923 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.942 -12.088 7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.221 -14.246 10.814 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.982 -14.303 10.641 1.00 0.00 H new ATOM 1262 N LEU A 83 2.388 -12.147 5.047 1.00 0.00 N ATOM 1263 CA LEU A 83 1.249 -12.565 4.236 1.00 0.00 C ATOM 1264 C LEU A 83 1.659 -13.636 3.231 1.00 0.00 C ATOM 1265 O LEU A 83 1.050 -14.704 3.161 1.00 0.00 O ATOM 1266 CB LEU A 83 0.652 -11.363 3.503 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.162 -10.392 4.359 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.502 -9.138 3.567 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.430 -11.063 4.868 1.00 0.00 C ATOM 0 H LEU A 83 2.618 -11.156 4.972 1.00 0.00 H new ATOM 0 HA LEU A 83 0.496 -12.988 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.465 -10.809 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.013 -11.732 2.701 1.00 0.00 H new ATOM 0 HG LEU A 83 0.442 -10.102 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.081 -8.459 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.418 -8.646 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.087 -9.410 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.997 -10.357 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.038 -11.383 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.165 -11.930 5.472 1.00 0.00 H new ATOM 1281 N LYS A 84 2.698 -13.344 2.454 1.00 0.00 N ATOM 1282 CA LYS A 84 3.193 -14.282 1.454 1.00 0.00 C ATOM 1283 C LYS A 84 3.661 -15.578 2.109 1.00 0.00 C ATOM 1284 O LYS A 84 3.500 -16.661 1.548 1.00 0.00 O ATOM 1285 CB LYS A 84 4.342 -13.655 0.662 1.00 0.00 C ATOM 1286 CG LYS A 84 5.512 -13.220 1.527 1.00 0.00 C ATOM 1287 CD LYS A 84 6.791 -13.100 0.716 1.00 0.00 C ATOM 1288 CE LYS A 84 6.948 -11.706 0.127 1.00 0.00 C ATOM 1289 NZ LYS A 84 8.287 -11.516 -0.498 1.00 0.00 N ATOM 0 H LYS A 84 3.213 -12.465 2.498 1.00 0.00 H new ATOM 0 HA LYS A 84 2.374 -14.514 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.696 -14.373 -0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.965 -12.791 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.284 -12.261 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.657 -13.940 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.648 -13.327 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.785 -13.837 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.172 -11.537 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.804 -10.962 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.355 -10.554 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.027 -11.652 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.415 -12.209 -1.263 1.00 0.00 H new ATOM 1303 N ASN A 85 4.241 -15.459 3.299 1.00 0.00 N ATOM 1304 CA ASN A 85 4.731 -16.622 4.030 1.00 0.00 C ATOM 1305 C ASN A 85 3.572 -17.481 4.526 1.00 0.00 C ATOM 1306 O ASN A 85 3.600 -18.707 4.412 1.00 0.00 O ATOM 1307 CB ASN A 85 5.595 -16.179 5.213 1.00 0.00 C ATOM 1308 CG ASN A 85 6.994 -15.776 4.789 1.00 0.00 C ATOM 1309 OD1 ASN A 85 7.462 -16.155 3.715 1.00 0.00 O ATOM 1310 ND2 ASN A 85 7.668 -15.004 5.632 1.00 0.00 N ATOM 0 H ASN A 85 4.383 -14.569 3.777 1.00 0.00 H new ATOM 0 HA ASN A 85 5.337 -17.220 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.115 -15.339 5.716 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.658 -16.991 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.614 -14.701 5.401 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.240 -14.714 6.511 1.00 0.00 H new ATOM 1317 N LYS A 86 2.553 -16.830 5.076 1.00 0.00 N ATOM 1318 CA LYS A 86 1.382 -17.533 5.588 1.00 0.00 C ATOM 1319 C LYS A 86 0.758 -18.409 4.507 1.00 0.00 C ATOM 1320 O LYS A 86 0.630 -19.621 4.675 1.00 0.00 O ATOM 1321 CB LYS A 86 0.349 -16.532 6.109 1.00 0.00 C ATOM 1322 CG LYS A 86 -0.724 -17.163 6.980 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.694 -16.122 7.512 1.00 0.00 C ATOM 1324 CE LYS A 86 -2.787 -15.810 6.502 1.00 0.00 C ATOM 1325 NZ LYS A 86 -3.952 -15.134 7.137 1.00 0.00 N ATOM 0 H LYS A 86 2.514 -15.816 5.179 1.00 0.00 H new ATOM 0 HA LYS A 86 1.703 -18.174 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.861 -15.759 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.127 -16.039 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.270 -17.909 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.256 -17.685 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.144 -16.482 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.151 -15.209 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.383 -15.174 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.118 -16.734 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.675 -14.938 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.354 -15.751 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.642 -14.240 7.568 1.00 0.00 H new ATOM 1339 N GLU A 87 0.372 -17.787 3.397 1.00 0.00 N ATOM 1340 CA GLU A 87 -0.238 -18.512 2.289 1.00 0.00 C ATOM 1341 C GLU A 87 0.545 -19.783 1.972 1.00 0.00 C ATOM 1342 O GLU A 87 1.776 -19.788 1.990 1.00 0.00 O ATOM 1343 CB GLU A 87 -0.311 -17.621 1.046 1.00 0.00 C ATOM 1344 CG GLU A 87 -1.072 -18.249 -0.109 1.00 0.00 C ATOM 1345 CD GLU A 87 -0.684 -17.662 -1.452 1.00 0.00 C ATOM 1346 OE1 GLU A 87 0.491 -17.270 -1.611 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -1.556 -17.594 -2.344 1.00 0.00 O ATOM 0 H GLU A 87 0.471 -16.784 3.242 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.248 -18.794 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.787 -16.677 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.701 -17.386 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.887 -19.323 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.142 -18.111 0.048 1.00 0.00 H new ATOM 1354 N LYS A 88 -0.178 -20.859 1.683 1.00 0.00 N ATOM 1355 CA LYS A 88 0.447 -22.137 1.361 1.00 0.00 C ATOM 1356 C LYS A 88 0.739 -22.240 -0.132 1.00 0.00 C ATOM 1357 O LYS A 88 -0.141 -22.017 -0.964 1.00 0.00 O ATOM 1358 CB LYS A 88 -0.456 -23.293 1.796 1.00 0.00 C ATOM 1359 CG LYS A 88 0.003 -24.648 1.286 1.00 0.00 C ATOM 1360 CD LYS A 88 0.962 -25.315 2.257 1.00 0.00 C ATOM 1361 CE LYS A 88 1.538 -26.599 1.680 1.00 0.00 C ATOM 1362 NZ LYS A 88 0.633 -27.761 1.899 1.00 0.00 N ATOM 0 H LYS A 88 -1.198 -20.872 1.665 1.00 0.00 H new ATOM 0 HA LYS A 88 1.391 -22.198 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.499 -23.319 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.469 -23.105 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.863 -25.291 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.490 -24.527 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.773 -24.628 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.442 -25.535 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.712 -26.471 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.506 -26.801 2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.062 -28.616 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.487 -27.900 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.282 -27.580 1.440 1.00 0.00 H new ATOM 1376 N LYS A 89 1.979 -22.579 -0.467 1.00 0.00 N ATOM 1377 CA LYS A 89 2.387 -22.715 -1.860 1.00 0.00 C ATOM 1378 C LYS A 89 3.446 -23.801 -2.014 1.00 0.00 C ATOM 1379 O LYS A 89 4.343 -23.929 -1.180 1.00 0.00 O ATOM 1380 CB LYS A 89 2.926 -21.383 -2.387 1.00 0.00 C ATOM 1381 CG LYS A 89 4.177 -20.906 -1.668 1.00 0.00 C ATOM 1382 CD LYS A 89 3.833 -20.063 -0.451 1.00 0.00 C ATOM 1383 CE LYS A 89 4.970 -19.120 -0.087 1.00 0.00 C ATOM 1384 NZ LYS A 89 5.149 -18.049 -1.106 1.00 0.00 N ATOM 0 H LYS A 89 2.720 -22.765 0.209 1.00 0.00 H new ATOM 0 HA LYS A 89 1.511 -23.002 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.144 -21.484 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.150 -20.623 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.771 -21.766 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.792 -20.323 -2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.930 -19.486 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.615 -20.715 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.770 -18.668 0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.896 -19.687 0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.643 -17.241 -0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.711 -18.416 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.218 -17.741 -1.453 1.00 0.00 H new ATOM 1398 N ALA A 90 3.337 -24.580 -3.085 1.00 0.00 N ATOM 1399 CA ALA A 90 4.288 -25.653 -3.349 1.00 0.00 C ATOM 1400 C ALA A 90 5.477 -25.146 -4.158 1.00 0.00 C ATOM 1401 O ALA A 90 5.433 -24.054 -4.725 1.00 0.00 O ATOM 1402 CB ALA A 90 3.602 -26.799 -4.077 1.00 0.00 C ATOM 0 H ALA A 90 2.600 -24.488 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 90 4.662 -26.017 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.324 -27.593 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.790 -27.187 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.200 -26.439 -5.024 1.00 0.00 H new ATOM 1408 N GLN A 91 6.538 -25.945 -4.207 1.00 0.00 N ATOM 1409 CA GLN A 91 7.739 -25.575 -4.947 1.00 0.00 C ATOM 1410 C GLN A 91 7.380 -24.970 -6.300 1.00 0.00 C ATOM 1411 O GLN A 91 6.591 -25.536 -7.056 1.00 0.00 O ATOM 1412 CB GLN A 91 8.639 -26.796 -5.143 1.00 0.00 C ATOM 1413 CG GLN A 91 9.875 -26.513 -5.982 1.00 0.00 C ATOM 1414 CD GLN A 91 10.923 -25.719 -5.228 1.00 0.00 C ATOM 1415 OE1 GLN A 91 11.277 -26.054 -4.097 1.00 0.00 O ATOM 1416 NE2 GLN A 91 11.425 -24.659 -5.851 1.00 0.00 N ATOM 0 H GLN A 91 6.591 -26.852 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 91 8.277 -24.826 -4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.950 -27.168 -4.167 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.062 -27.590 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.308 -27.457 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.584 -25.964 -6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.102 -24.418 -6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.133 -24.086 -5.392 1.00 0.00 H new ATOM 1425 N LYS A 92 7.965 -23.815 -6.600 1.00 0.00 N ATOM 1426 CA LYS A 92 7.709 -23.132 -7.862 1.00 0.00 C ATOM 1427 C LYS A 92 8.952 -22.388 -8.340 1.00 0.00 C ATOM 1428 O LYS A 92 9.717 -21.837 -7.549 1.00 0.00 O ATOM 1429 CB LYS A 92 6.543 -22.153 -7.708 1.00 0.00 C ATOM 1430 CG LYS A 92 6.734 -21.151 -6.583 1.00 0.00 C ATOM 1431 CD LYS A 92 5.852 -19.928 -6.770 1.00 0.00 C ATOM 1432 CE LYS A 92 6.512 -18.897 -7.673 1.00 0.00 C ATOM 1433 NZ LYS A 92 6.068 -17.513 -7.352 1.00 0.00 N ATOM 0 H LYS A 92 8.620 -23.332 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 92 7.448 -23.884 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.407 -21.613 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.627 -22.717 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.503 -21.625 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.779 -20.844 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.896 -20.230 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.639 -19.480 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.595 -18.964 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.277 -19.122 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.540 -16.840 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.038 -17.442 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.315 -17.289 -6.367 1.00 0.00 H new ATOM 1447 N PRO A 93 9.158 -22.369 -9.665 1.00 0.00 N ATOM 1448 CA PRO A 93 10.306 -21.694 -10.278 1.00 0.00 C ATOM 1449 C PRO A 93 10.209 -20.175 -10.173 1.00 0.00 C ATOM 1450 O PRO A 93 9.287 -19.563 -10.711 1.00 0.00 O ATOM 1451 CB PRO A 93 10.236 -22.134 -11.743 1.00 0.00 C ATOM 1452 CG PRO A 93 8.801 -22.461 -11.972 1.00 0.00 C ATOM 1453 CD PRO A 93 8.287 -23.005 -10.668 1.00 0.00 C ATOM 0 HA PRO A 93 11.243 -21.954 -9.785 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.573 -21.341 -12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.873 -22.999 -11.928 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.242 -21.575 -12.273 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.690 -23.194 -12.771 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.239 -22.748 -10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.358 -24.092 -10.630 1.00 0.00 H new ATOM 1461 N VAL A 94 11.168 -19.573 -9.476 1.00 0.00 N ATOM 1462 CA VAL A 94 11.192 -18.126 -9.302 1.00 0.00 C ATOM 1463 C VAL A 94 12.435 -17.515 -9.940 1.00 0.00 C ATOM 1464 O VAL A 94 13.533 -18.062 -9.836 1.00 0.00 O ATOM 1465 CB VAL A 94 11.151 -17.739 -7.812 1.00 0.00 C ATOM 1466 CG1 VAL A 94 12.357 -18.308 -7.079 1.00 0.00 C ATOM 1467 CG2 VAL A 94 11.087 -16.227 -7.655 1.00 0.00 C ATOM 0 H VAL A 94 11.938 -20.065 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 94 10.303 -17.734 -9.797 1.00 0.00 H new ATOM 0 HB VAL A 94 10.251 -18.166 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.311 -18.024 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.354 -19.395 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.271 -17.913 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.059 -15.972 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.967 -15.776 -8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.189 -15.848 -8.143 1.00 0.00 H new ATOM 1477 N LYS A 95 12.255 -16.378 -10.603 1.00 0.00 N ATOM 1478 CA LYS A 95 13.361 -15.690 -11.257 1.00 0.00 C ATOM 1479 C LYS A 95 14.345 -16.690 -11.857 1.00 0.00 C ATOM 1480 O LYS A 95 15.558 -16.491 -11.798 1.00 0.00 O ATOM 1481 CB LYS A 95 14.085 -14.781 -10.262 1.00 0.00 C ATOM 1482 CG LYS A 95 14.712 -13.554 -10.902 1.00 0.00 C ATOM 1483 CD LYS A 95 16.128 -13.836 -11.376 1.00 0.00 C ATOM 1484 CE LYS A 95 16.920 -12.550 -11.559 1.00 0.00 C ATOM 1485 NZ LYS A 95 16.490 -11.802 -12.773 1.00 0.00 N ATOM 0 H LYS A 95 11.352 -15.913 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 95 12.951 -15.081 -12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.379 -14.460 -9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.863 -15.355 -9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.102 -13.231 -11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.724 -12.734 -10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.634 -14.477 -10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.095 -14.382 -12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.795 -11.918 -10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.982 -12.785 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.053 -10.932 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.633 -12.395 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.483 -11.555 -12.690 1.00 0.00 H new ATOM 1499 N GLU A 96 13.813 -17.763 -12.434 1.00 0.00 N ATOM 1500 CA GLU A 96 14.646 -18.793 -13.044 1.00 0.00 C ATOM 1501 C GLU A 96 15.168 -18.336 -14.403 1.00 0.00 C ATOM 1502 O GLU A 96 14.519 -17.556 -15.099 1.00 0.00 O ATOM 1503 CB GLU A 96 13.856 -20.093 -13.200 1.00 0.00 C ATOM 1504 CG GLU A 96 13.793 -20.923 -11.929 1.00 0.00 C ATOM 1505 CD GLU A 96 15.093 -21.650 -11.642 1.00 0.00 C ATOM 1506 OE1 GLU A 96 15.881 -21.853 -12.589 1.00 0.00 O ATOM 1507 OE2 GLU A 96 15.322 -22.015 -10.469 1.00 0.00 O ATOM 0 H GLU A 96 12.810 -17.942 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 96 15.498 -18.971 -12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.841 -19.856 -13.520 1.00 0.00 H new ATOM 0 HB3 GLU A 96 14.308 -20.690 -13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.550 -20.274 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.985 -21.650 -12.014 1.00 0.00 H new ATOM 1514 N GLY A 97 16.346 -18.828 -14.775 1.00 0.00 N ATOM 1515 CA GLY A 97 16.935 -18.459 -16.049 1.00 0.00 C ATOM 1516 C GLY A 97 16.076 -18.872 -17.227 1.00 0.00 C ATOM 1517 O GLY A 97 15.287 -18.077 -17.736 1.00 0.00 O ATOM 0 H GLY A 97 16.903 -19.475 -14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.088 -17.380 -16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.917 -18.923 -16.139 1.00 0.00 H new ATOM 1521 N GLN A 98 16.231 -20.119 -17.662 1.00 0.00 N ATOM 1522 CA GLN A 98 15.464 -20.635 -18.789 1.00 0.00 C ATOM 1523 C GLN A 98 15.838 -19.911 -20.079 1.00 0.00 C ATOM 1524 O GLN A 98 14.989 -19.359 -20.778 1.00 0.00 O ATOM 1525 CB GLN A 98 13.964 -20.486 -18.524 1.00 0.00 C ATOM 1526 CG GLN A 98 13.115 -21.526 -19.236 1.00 0.00 C ATOM 1527 CD GLN A 98 13.380 -22.935 -18.741 1.00 0.00 C ATOM 1528 OE1 GLN A 98 13.911 -23.131 -17.647 1.00 0.00 O ATOM 1529 NE2 GLN A 98 13.009 -23.924 -19.544 1.00 0.00 N ATOM 0 H GLN A 98 16.880 -20.790 -17.251 1.00 0.00 H new ATOM 0 HA GLN A 98 15.702 -21.692 -18.904 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.784 -20.555 -17.451 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.645 -19.492 -18.837 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.061 -21.288 -19.094 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.312 -21.478 -20.307 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.572 -23.715 -20.442 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.160 -24.893 -19.263 1.00 0.00 H new ATOM 1538 N PRO A 99 17.139 -19.913 -20.402 1.00 0.00 N ATOM 1539 CA PRO A 99 17.656 -19.261 -21.610 1.00 0.00 C ATOM 1540 C PRO A 99 17.237 -19.987 -22.884 1.00 0.00 C ATOM 1541 O PRO A 99 17.073 -21.206 -22.890 1.00 0.00 O ATOM 1542 CB PRO A 99 19.174 -19.331 -21.429 1.00 0.00 C ATOM 1543 CG PRO A 99 19.396 -20.503 -20.535 1.00 0.00 C ATOM 1544 CD PRO A 99 18.207 -20.552 -19.615 1.00 0.00 C ATOM 0 HA PRO A 99 17.273 -18.247 -21.722 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.681 -19.461 -22.385 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.562 -18.415 -20.984 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.481 -21.424 -21.112 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.322 -20.394 -19.971 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.949 -21.576 -19.346 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.396 -20.016 -18.685 1.00 0.00 H new ATOM 1552 N SER A 100 17.067 -19.228 -23.962 1.00 0.00 N ATOM 1553 CA SER A 100 16.664 -19.799 -25.242 1.00 0.00 C ATOM 1554 C SER A 100 17.074 -18.888 -26.396 1.00 0.00 C ATOM 1555 O SER A 100 17.201 -17.673 -26.246 1.00 0.00 O ATOM 1556 CB SER A 100 15.152 -20.027 -25.270 1.00 0.00 C ATOM 1557 OG SER A 100 14.449 -18.807 -25.110 1.00 0.00 O ATOM 0 H SER A 100 17.202 -18.217 -23.975 1.00 0.00 H new ATOM 0 HA SER A 100 17.170 -20.757 -25.360 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.869 -20.492 -26.214 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.871 -20.719 -24.476 1.00 0.00 H new ATOM 0 HG SER A 100 13.485 -18.980 -25.133 1.00 0.00 H new ATOM 1563 N PRO A 101 17.286 -19.489 -27.576 1.00 0.00 N ATOM 1564 CA PRO A 101 17.683 -18.752 -28.779 1.00 0.00 C ATOM 1565 C PRO A 101 16.560 -17.872 -29.318 1.00 0.00 C ATOM 1566 O PRO A 101 16.712 -17.218 -30.350 1.00 0.00 O ATOM 1567 CB PRO A 101 18.020 -19.861 -29.780 1.00 0.00 C ATOM 1568 CG PRO A 101 17.223 -21.035 -29.326 1.00 0.00 C ATOM 1569 CD PRO A 101 17.153 -20.934 -27.827 1.00 0.00 C ATOM 0 HA PRO A 101 18.510 -18.069 -28.583 1.00 0.00 H new ATOM 0 HB2 PRO A 101 17.754 -19.571 -30.797 1.00 0.00 H new ATOM 0 HB3 PRO A 101 19.087 -20.083 -29.781 1.00 0.00 H new ATOM 0 HG2 PRO A 101 16.225 -21.023 -29.765 1.00 0.00 H new ATOM 0 HG3 PRO A 101 17.694 -21.969 -29.633 1.00 0.00 H new ATOM 0 HD2 PRO A 101 16.211 -21.324 -27.442 1.00 0.00 H new ATOM 0 HD3 PRO A 101 17.952 -21.500 -27.348 1.00 0.00 H new ATOM 1577 N ALA A 102 15.434 -17.860 -28.613 1.00 0.00 N ATOM 1578 CA ALA A 102 14.287 -17.058 -29.019 1.00 0.00 C ATOM 1579 C ALA A 102 14.723 -15.676 -29.493 1.00 0.00 C ATOM 1580 O ALA A 102 15.578 -15.040 -28.876 1.00 0.00 O ATOM 1581 CB ALA A 102 13.295 -16.937 -27.872 1.00 0.00 C ATOM 0 H ALA A 102 15.292 -18.397 -27.757 1.00 0.00 H new ATOM 0 HA ALA A 102 13.800 -17.562 -29.854 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.443 -16.335 -28.189 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.950 -17.930 -27.583 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.780 -16.459 -27.021 1.00 0.00 H new ATOM 1587 N ASP A 103 14.131 -15.218 -30.590 1.00 0.00 N ATOM 1588 CA ASP A 103 14.458 -13.910 -31.146 1.00 0.00 C ATOM 1589 C ASP A 103 13.197 -13.179 -31.595 1.00 0.00 C ATOM 1590 O ASP A 103 12.181 -13.804 -31.895 1.00 0.00 O ATOM 1591 CB ASP A 103 15.423 -14.060 -32.324 1.00 0.00 C ATOM 1592 CG ASP A 103 16.873 -14.103 -31.883 1.00 0.00 C ATOM 1593 OD1 ASP A 103 17.142 -14.616 -30.776 1.00 0.00 O ATOM 1594 OD2 ASP A 103 17.739 -13.625 -32.644 1.00 0.00 O ATOM 0 H ASP A 103 13.422 -15.733 -31.112 1.00 0.00 H new ATOM 0 HA ASP A 103 14.939 -13.321 -30.365 1.00 0.00 H new ATOM 0 HB2 ASP A 103 15.185 -14.973 -32.871 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.281 -13.229 -33.014 1.00 0.00 H new ATOM 1599 N GLU A 104 13.271 -11.853 -31.638 1.00 0.00 N ATOM 1600 CA GLU A 104 12.134 -11.038 -32.049 1.00 0.00 C ATOM 1601 C GLU A 104 12.589 -9.645 -32.476 1.00 0.00 C ATOM 1602 O GLU A 104 13.489 -9.061 -31.873 1.00 0.00 O ATOM 1603 CB GLU A 104 11.119 -10.927 -30.909 1.00 0.00 C ATOM 1604 CG GLU A 104 11.688 -10.305 -29.645 1.00 0.00 C ATOM 1605 CD GLU A 104 12.551 -11.271 -28.857 1.00 0.00 C ATOM 1606 OE1 GLU A 104 12.035 -12.334 -28.455 1.00 0.00 O ATOM 1607 OE2 GLU A 104 13.742 -10.963 -28.642 1.00 0.00 O ATOM 0 H GLU A 104 14.106 -11.320 -31.393 1.00 0.00 H new ATOM 0 HA GLU A 104 11.661 -11.525 -32.902 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.270 -10.332 -31.246 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.738 -11.921 -30.675 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.279 -9.429 -29.910 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.869 -9.958 -29.015 1.00 0.00 H new ATOM 1614 N LYS A 105 11.960 -9.118 -33.521 1.00 0.00 N ATOM 1615 CA LYS A 105 12.298 -7.795 -34.031 1.00 0.00 C ATOM 1616 C LYS A 105 11.794 -6.705 -33.090 1.00 0.00 C ATOM 1617 O LYS A 105 12.491 -5.725 -32.829 1.00 0.00 O ATOM 1618 CB LYS A 105 11.701 -7.595 -35.426 1.00 0.00 C ATOM 1619 CG LYS A 105 11.984 -6.225 -36.018 1.00 0.00 C ATOM 1620 CD LYS A 105 11.462 -6.114 -37.441 1.00 0.00 C ATOM 1621 CE LYS A 105 12.250 -5.092 -38.245 1.00 0.00 C ATOM 1622 NZ LYS A 105 13.428 -5.705 -38.919 1.00 0.00 N ATOM 0 H LYS A 105 11.212 -9.588 -34.032 1.00 0.00 H new ATOM 0 HA LYS A 105 13.384 -7.724 -34.094 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.097 -8.359 -36.095 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.622 -7.744 -35.375 1.00 0.00 H new ATOM 0 HG2 LYS A 105 11.521 -5.457 -35.399 1.00 0.00 H new ATOM 0 HG3 LYS A 105 13.058 -6.038 -36.008 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.522 -7.087 -37.929 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.410 -5.831 -37.423 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.599 -4.638 -38.993 1.00 0.00 H new ATOM 0 HE3 LYS A 105 12.585 -4.291 -37.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 13.939 -4.976 -39.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.062 -6.116 -38.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.107 -6.452 -39.568 1.00 0.00 H new ATOM 1636 N GLY A 106 10.578 -6.883 -32.581 1.00 0.00 N ATOM 1637 CA GLY A 106 10.003 -5.908 -31.674 1.00 0.00 C ATOM 1638 C GLY A 106 10.116 -4.490 -32.199 1.00 0.00 C ATOM 1639 O GLY A 106 10.166 -4.271 -33.408 1.00 0.00 O ATOM 0 H GLY A 106 9.981 -7.686 -32.781 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.953 -6.147 -31.506 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.504 -5.975 -30.708 1.00 0.00 H new ATOM 1643 N ASN A 107 10.155 -3.524 -31.287 1.00 0.00 N ATOM 1644 CA ASN A 107 10.260 -2.120 -31.665 1.00 0.00 C ATOM 1645 C ASN A 107 10.568 -1.250 -30.449 1.00 0.00 C ATOM 1646 O ASN A 107 10.146 -1.555 -29.333 1.00 0.00 O ATOM 1647 CB ASN A 107 8.964 -1.650 -32.327 1.00 0.00 C ATOM 1648 CG ASN A 107 7.867 -1.372 -31.318 1.00 0.00 C ATOM 1649 OD1 ASN A 107 7.841 -0.315 -30.687 1.00 0.00 O ATOM 1650 ND2 ASN A 107 6.953 -2.323 -31.161 1.00 0.00 N ATOM 0 H ASN A 107 10.115 -3.688 -30.281 1.00 0.00 H new ATOM 0 HA ASN A 107 11.080 -2.022 -32.377 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.161 -0.746 -32.904 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.623 -2.409 -33.031 1.00 0.00 H new ATOM 0 HD21 ASN A 107 6.190 -2.193 -30.496 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.014 -3.184 -31.705 1.00 0.00 H new ATOM 1657 N ASP A 108 11.304 -0.168 -30.674 1.00 0.00 N ATOM 1658 CA ASP A 108 11.666 0.747 -29.598 1.00 0.00 C ATOM 1659 C ASP A 108 10.692 1.919 -29.530 1.00 0.00 C ATOM 1660 O ASP A 108 9.854 2.095 -30.414 1.00 0.00 O ATOM 1661 CB ASP A 108 13.092 1.264 -29.797 1.00 0.00 C ATOM 1662 CG ASP A 108 14.128 0.164 -29.677 1.00 0.00 C ATOM 1663 OD1 ASP A 108 14.295 -0.603 -30.648 1.00 0.00 O ATOM 1664 OD2 ASP A 108 14.773 0.071 -28.611 1.00 0.00 O ATOM 0 H ASP A 108 11.662 0.097 -31.592 1.00 0.00 H new ATOM 0 HA ASP A 108 11.614 0.200 -28.657 1.00 0.00 H new ATOM 0 HB2 ASP A 108 13.173 1.730 -30.779 1.00 0.00 H new ATOM 0 HB3 ASP A 108 13.301 2.038 -29.059 1.00 0.00 H new ATOM 1669 N SER A 109 10.808 2.718 -28.474 1.00 0.00 N ATOM 1670 CA SER A 109 9.935 3.871 -28.287 1.00 0.00 C ATOM 1671 C SER A 109 10.325 5.006 -29.229 1.00 0.00 C ATOM 1672 O SER A 109 11.351 5.659 -29.041 1.00 0.00 O ATOM 1673 CB SER A 109 9.994 4.354 -26.837 1.00 0.00 C ATOM 1674 OG SER A 109 9.578 3.336 -25.943 1.00 0.00 O ATOM 0 H SER A 109 11.498 2.588 -27.735 1.00 0.00 H new ATOM 0 HA SER A 109 8.915 3.564 -28.518 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.011 4.662 -26.594 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.358 5.231 -26.716 1.00 0.00 H new ATOM 0 HG SER A 109 9.626 3.669 -25.023 1.00 0.00 H new ATOM 1680 N ASP A 110 9.498 5.234 -30.244 1.00 0.00 N ATOM 1681 CA ASP A 110 9.754 6.290 -31.216 1.00 0.00 C ATOM 1682 C ASP A 110 8.462 7.009 -31.592 1.00 0.00 C ATOM 1683 O ASP A 110 7.419 6.380 -31.769 1.00 0.00 O ATOM 1684 CB ASP A 110 10.413 5.711 -32.469 1.00 0.00 C ATOM 1685 CG ASP A 110 11.408 4.614 -32.145 1.00 0.00 C ATOM 1686 OD1 ASP A 110 12.212 4.801 -31.209 1.00 0.00 O ATOM 1687 OD2 ASP A 110 11.382 3.569 -32.829 1.00 0.00 O ATOM 0 H ASP A 110 8.645 4.702 -30.415 1.00 0.00 H new ATOM 0 HA ASP A 110 10.431 7.012 -30.760 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.643 5.315 -33.131 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.920 6.509 -33.011 1.00 0.00 H new ATOM 1692 N GLY A 111 8.538 8.331 -31.711 1.00 0.00 N ATOM 1693 CA GLY A 111 7.367 9.113 -32.063 1.00 0.00 C ATOM 1694 C GLY A 111 7.700 10.274 -32.978 1.00 0.00 C ATOM 1695 O GLY A 111 7.887 11.401 -32.520 1.00 0.00 O ATOM 0 H GLY A 111 9.390 8.874 -31.570 1.00 0.00 H new ATOM 0 HA2 GLY A 111 6.636 8.468 -32.551 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.901 9.493 -31.154 1.00 0.00 H new ATOM 1699 N SER A 112 7.776 10.000 -34.277 1.00 0.00 N ATOM 1700 CA SER A 112 8.094 11.030 -35.259 1.00 0.00 C ATOM 1701 C SER A 112 7.450 10.714 -36.606 1.00 0.00 C ATOM 1702 O SER A 112 7.126 9.563 -36.896 1.00 0.00 O ATOM 1703 CB SER A 112 9.609 11.158 -35.422 1.00 0.00 C ATOM 1704 OG SER A 112 10.162 9.982 -35.988 1.00 0.00 O ATOM 0 H SER A 112 7.622 9.073 -34.674 1.00 0.00 H new ATOM 0 HA SER A 112 7.694 11.977 -34.898 1.00 0.00 H new ATOM 0 HB2 SER A 112 9.839 12.014 -36.057 1.00 0.00 H new ATOM 0 HB3 SER A 112 10.068 11.349 -34.452 1.00 0.00 H new ATOM 0 HG SER A 112 11.131 10.090 -36.084 1.00 0.00 H new ATOM 1710 N GLY A 113 7.269 11.745 -37.425 1.00 0.00 N ATOM 1711 CA GLY A 113 6.666 11.558 -38.731 1.00 0.00 C ATOM 1712 C GLY A 113 7.362 12.362 -39.812 1.00 0.00 C ATOM 1713 O GLY A 113 7.952 13.410 -39.552 1.00 0.00 O ATOM 0 H GLY A 113 7.529 12.707 -37.207 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.696 10.500 -38.993 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.616 11.846 -38.687 1.00 0.00 H new ATOM 1717 N PRO A 114 7.299 11.866 -41.057 1.00 0.00 N ATOM 1718 CA PRO A 114 7.923 12.529 -42.205 1.00 0.00 C ATOM 1719 C PRO A 114 7.216 13.826 -42.581 1.00 0.00 C ATOM 1720 O PRO A 114 6.014 13.835 -42.845 1.00 0.00 O ATOM 1721 CB PRO A 114 7.783 11.498 -43.329 1.00 0.00 C ATOM 1722 CG PRO A 114 6.604 10.674 -42.941 1.00 0.00 C ATOM 1723 CD PRO A 114 6.612 10.621 -41.439 1.00 0.00 C ATOM 0 HA PRO A 114 8.954 12.818 -41.998 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.628 11.982 -44.293 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.681 10.887 -43.420 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.679 11.117 -43.311 1.00 0.00 H new ATOM 0 HG3 PRO A 114 6.670 9.673 -43.367 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.601 10.579 -41.033 1.00 0.00 H new ATOM 0 HD3 PRO A 114 7.140 9.741 -41.071 1.00 0.00 H new ATOM 1731 N SER A 115 7.970 14.921 -42.603 1.00 0.00 N ATOM 1732 CA SER A 115 7.414 16.225 -42.943 1.00 0.00 C ATOM 1733 C SER A 115 8.518 17.197 -43.349 1.00 0.00 C ATOM 1734 O SER A 115 9.597 17.211 -42.757 1.00 0.00 O ATOM 1735 CB SER A 115 6.629 16.793 -41.759 1.00 0.00 C ATOM 1736 OG SER A 115 6.281 18.149 -41.981 1.00 0.00 O ATOM 0 H SER A 115 8.967 14.930 -42.389 1.00 0.00 H new ATOM 0 HA SER A 115 6.739 16.095 -43.789 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.726 16.204 -41.601 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.226 16.711 -40.850 1.00 0.00 H new ATOM 0 HG SER A 115 5.779 18.488 -41.211 1.00 0.00 H new ATOM 1742 N SER A 116 8.239 18.008 -44.364 1.00 0.00 N ATOM 1743 CA SER A 116 9.209 18.981 -44.854 1.00 0.00 C ATOM 1744 C SER A 116 9.080 20.302 -44.101 1.00 0.00 C ATOM 1745 O SER A 116 8.403 21.224 -44.554 1.00 0.00 O ATOM 1746 CB SER A 116 9.016 19.215 -46.353 1.00 0.00 C ATOM 1747 OG SER A 116 7.715 19.705 -46.630 1.00 0.00 O ATOM 0 H SER A 116 7.350 18.011 -44.863 1.00 0.00 H new ATOM 0 HA SER A 116 10.208 18.580 -44.682 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.760 19.926 -46.712 1.00 0.00 H new ATOM 0 HB3 SER A 116 9.180 18.283 -46.894 1.00 0.00 H new ATOM 0 HG SER A 116 7.546 20.507 -46.093 1.00 0.00 H new ATOM 1753 N GLY A 117 9.736 20.385 -42.947 1.00 0.00 N ATOM 1754 CA GLY A 117 9.682 21.596 -42.149 1.00 0.00 C ATOM 1755 C GLY A 117 10.119 21.365 -40.716 1.00 0.00 C ATOM 1756 O GLY A 117 11.133 21.906 -40.274 1.00 0.00 O ATOM 0 H GLY A 117 10.303 19.636 -42.551 1.00 0.00 H new ATOM 0 HA2 GLY A 117 10.320 22.355 -42.602 1.00 0.00 H new ATOM 0 HA3 GLY A 117 8.665 21.988 -42.157 1.00 0.00 H new TER 1760 GLY A 117