USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1112 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 12 MET CE :methyl 170:sc= -2.22 (180deg=-2.38!) USER MOD Set 1.2: A 118 CYS SG : rot 28:sc= -1.73! USER MOD Set 2.1: A 83 HIS : no HD1:sc= 1.88 K(o=1.5,f=-9.1!) USER MOD Set 2.2: A 86 THR OG1 : rot 126:sc= -0.398 USER MOD Set 2.3: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 79 ASN : amide:sc= 0.409 X(o=1.4,f=1) USER MOD Set 3.2: A 81 HIS : no HD1:sc= 0.962 K(o=1.4,f=-3.8!) USER MOD Set 4.1: A 25 CYS SG : rot 150:sc= 0.44 USER MOD Set 4.2: A 57 MET CE :methyl -124:sc= -0.685 (180deg=-0.228) USER MOD Set 5.1: A 22 ASN : amide:sc= -1.89! K(o=-3!,f=-6.2) USER MOD Set 5.2: A 47 ASN : amide:sc= -1.15! C(o=-3!,f=-6.2!) USER MOD Set 6.1: A 5 THR OG1 : rot -138:sc= -3.41! USER MOD Set 6.2: A 8 GLN : amide:sc= -1.22 K(o=-4.6,f=-8.4!) USER MOD Set 7.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 3 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.52 (180deg=1.27) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.117 (180deg=-0.573) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.03) USER MOD Single : A 9 MET CE :methyl -174:sc= -3.28! (180deg=-3.39!) USER MOD Single : A 15 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-4.5!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 43 TYR OH : rot 172:sc= 0.109 USER MOD Single : A 46 ASN : amide:sc= -0.0976 K(o=-0.098,f=-2.2) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 51 SER OG : rot 139:sc= 1.24 USER MOD Single : A 54 HIS : +bothHN:sc= -0.641 K(o=-0.64,f=-6.2!) USER MOD Single : A 56 SER OG : rot 137:sc= 1.28 USER MOD Single : A 62 GLN : amide:sc= 0.776 K(o=0.78,f=-0.16) USER MOD Single : A 64 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 160:sc= -0.14 (180deg=-0.883) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.03) USER MOD Single : A 72 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.86) USER MOD Single : A 76 MET CE :methyl -118:sc= -0.588 (180deg=-2.35) USER MOD Single : A 82 SER OG : rot 180:sc= -0.194 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -41:sc= 0.73 USER MOD Single : A 104 SER OG : rot 120:sc= 0.0502 USER MOD Single : A 105 TYR OH : rot -137:sc= 0.456 USER MOD Single : A 109 SER OG : rot 75:sc= 1.21 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 20:sc= 0.474 USER MOD Single : A 124 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.11) USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= -0.104 (180deg=-0.553) USER MOD Single : A 136 LYS NZ :NH3+ -157:sc= 1.95 (180deg=1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.854 -3.016 4.485 1.00 0.00 N ATOM 2 CA MET A 1 -13.010 -3.155 3.280 1.00 0.00 C ATOM 3 C MET A 1 -12.010 -2.011 3.198 1.00 0.00 C ATOM 4 O MET A 1 -11.951 -1.156 4.084 1.00 0.00 O ATOM 5 CB MET A 1 -13.877 -3.177 2.010 1.00 0.00 C ATOM 6 CG MET A 1 -14.448 -1.819 1.613 1.00 0.00 C ATOM 7 SD MET A 1 -15.562 -1.121 2.846 1.00 0.00 S ATOM 8 CE MET A 1 -15.972 0.447 2.082 1.00 0.00 C ATOM 0 H1 MET A 1 -14.497 -3.831 4.554 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.249 -2.979 5.330 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.411 -2.140 4.420 1.00 0.00 H new ATOM 0 HA MET A 1 -12.468 -4.098 3.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.280 -3.562 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.701 -3.874 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.626 -1.124 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.982 -1.920 0.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.657 0.998 2.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.062 1.030 1.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.447 0.269 1.117 1.00 0.00 H new ATOM 20 N ILE A 2 -11.209 -2.007 2.145 1.00 0.00 N ATOM 21 CA ILE A 2 -10.346 -0.878 1.851 1.00 0.00 C ATOM 22 C ILE A 2 -10.636 -0.388 0.437 1.00 0.00 C ATOM 23 O ILE A 2 -10.802 -1.189 -0.484 1.00 0.00 O ATOM 24 CB ILE A 2 -8.849 -1.228 2.017 1.00 0.00 C ATOM 25 CG1 ILE A 2 -7.979 -0.013 1.681 1.00 0.00 C ATOM 26 CG2 ILE A 2 -8.470 -2.424 1.155 1.00 0.00 C ATOM 27 CD1 ILE A 2 -6.504 -0.216 1.956 1.00 0.00 C ATOM 0 H ILE A 2 -11.140 -2.776 1.479 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.559 -0.085 2.568 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.673 -1.501 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.111 0.235 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.331 0.843 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.412 -2.649 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -9.066 -3.288 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.660 -2.192 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.957 0.689 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.358 -0.433 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.134 -1.050 1.360 1.00 0.00 H new ATOM 39 N THR A 3 -10.743 0.917 0.268 1.00 0.00 N ATOM 40 CA THR A 3 -11.126 1.474 -1.012 1.00 0.00 C ATOM 41 C THR A 3 -10.076 2.445 -1.544 1.00 0.00 C ATOM 42 O THR A 3 -9.652 3.365 -0.845 1.00 0.00 O ATOM 43 CB THR A 3 -12.486 2.183 -0.899 1.00 0.00 C ATOM 44 OG1 THR A 3 -13.454 1.273 -0.359 1.00 0.00 O ATOM 45 CG2 THR A 3 -12.960 2.681 -2.254 1.00 0.00 C ATOM 0 H THR A 3 -10.570 1.607 0.999 1.00 0.00 H new ATOM 0 HA THR A 3 -11.205 0.648 -1.718 1.00 0.00 H new ATOM 0 HB THR A 3 -12.371 3.043 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.321 1.724 -0.285 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.924 3.178 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.233 3.386 -2.657 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.064 1.837 -2.936 1.00 0.00 H new ATOM 53 N LEU A 4 -9.660 2.214 -2.780 1.00 0.00 N ATOM 54 CA LEU A 4 -8.730 3.092 -3.472 1.00 0.00 C ATOM 55 C LEU A 4 -9.182 3.265 -4.912 1.00 0.00 C ATOM 56 O LEU A 4 -10.048 2.532 -5.385 1.00 0.00 O ATOM 57 CB LEU A 4 -7.288 2.564 -3.419 1.00 0.00 C ATOM 58 CG LEU A 4 -7.095 1.078 -3.742 1.00 0.00 C ATOM 59 CD1 LEU A 4 -5.714 0.841 -4.334 1.00 0.00 C ATOM 60 CD2 LEU A 4 -7.269 0.236 -2.485 1.00 0.00 C ATOM 0 H LEU A 4 -9.959 1.410 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.732 4.057 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.685 3.146 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.892 2.751 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.849 0.784 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.591 -0.219 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.607 1.421 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.953 1.151 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.129 -0.817 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.531 0.536 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.271 0.385 -2.083 1.00 0.00 H new ATOM 72 N THR A 5 -8.624 4.240 -5.606 1.00 0.00 N ATOM 73 CA THR A 5 -9.101 4.564 -6.939 1.00 0.00 C ATOM 74 C THR A 5 -8.364 3.769 -8.009 1.00 0.00 C ATOM 75 O THR A 5 -7.316 3.168 -7.752 1.00 0.00 O ATOM 76 CB THR A 5 -8.956 6.068 -7.243 1.00 0.00 C ATOM 77 OG1 THR A 5 -7.578 6.411 -7.426 1.00 0.00 O ATOM 78 CG2 THR A 5 -9.528 6.892 -6.109 1.00 0.00 C ATOM 0 H THR A 5 -7.850 4.815 -5.275 1.00 0.00 H new ATOM 0 HA THR A 5 -10.157 4.295 -6.960 1.00 0.00 H new ATOM 0 HB THR A 5 -9.505 6.283 -8.160 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.390 7.261 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.418 7.952 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.585 6.655 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.993 6.663 -5.187 1.00 0.00 H new ATOM 86 N LYS A 6 -8.940 3.769 -9.204 1.00 0.00 N ATOM 87 CA LYS A 6 -8.316 3.186 -10.381 1.00 0.00 C ATOM 88 C LYS A 6 -6.932 3.791 -10.577 1.00 0.00 C ATOM 89 O LYS A 6 -5.958 3.088 -10.846 1.00 0.00 O ATOM 90 CB LYS A 6 -9.212 3.483 -11.588 1.00 0.00 C ATOM 91 CG LYS A 6 -8.840 2.761 -12.876 1.00 0.00 C ATOM 92 CD LYS A 6 -7.745 3.493 -13.634 1.00 0.00 C ATOM 93 CE LYS A 6 -7.560 2.938 -15.036 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.791 3.078 -15.859 1.00 0.00 N ATOM 0 H LYS A 6 -9.858 4.176 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.202 2.108 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.238 3.222 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.194 4.557 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.508 1.749 -12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.722 2.669 -13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.990 4.553 -13.693 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.807 3.413 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.736 3.457 -15.525 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.282 1.886 -14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.540 3.047 -16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.445 2.299 -15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.251 3.986 -15.644 1.00 0.00 H new ATOM 108 N LYS A 7 -6.870 5.104 -10.402 1.00 0.00 N ATOM 109 CA LYS A 7 -5.636 5.864 -10.521 1.00 0.00 C ATOM 110 C LYS A 7 -4.573 5.369 -9.544 1.00 0.00 C ATOM 111 O LYS A 7 -3.418 5.198 -9.924 1.00 0.00 O ATOM 112 CB LYS A 7 -5.922 7.346 -10.270 1.00 0.00 C ATOM 113 CG LYS A 7 -6.294 8.143 -11.517 1.00 0.00 C ATOM 114 CD LYS A 7 -7.571 7.635 -12.169 1.00 0.00 C ATOM 115 CE LYS A 7 -8.026 8.566 -13.283 1.00 0.00 C ATOM 116 NZ LYS A 7 -9.180 8.015 -14.040 1.00 0.00 N ATOM 0 H LYS A 7 -7.683 5.675 -10.171 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.250 5.725 -11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.734 7.428 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.042 7.800 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.418 9.193 -11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.476 8.091 -12.236 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.405 6.636 -12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.357 7.550 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.300 9.531 -12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.196 8.743 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.583 8.757 -14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.860 7.221 -14.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.905 7.681 -13.373 1.00 0.00 H new ATOM 130 N GLN A 8 -4.965 5.134 -8.292 1.00 0.00 N ATOM 131 CA GLN A 8 -4.026 4.679 -7.265 1.00 0.00 C ATOM 132 C GLN A 8 -3.408 3.338 -7.654 1.00 0.00 C ATOM 133 O GLN A 8 -2.212 3.118 -7.461 1.00 0.00 O ATOM 134 CB GLN A 8 -4.728 4.550 -5.906 1.00 0.00 C ATOM 135 CG GLN A 8 -5.440 5.817 -5.456 1.00 0.00 C ATOM 136 CD GLN A 8 -4.530 7.026 -5.402 1.00 0.00 C ATOM 137 OE1 GLN A 8 -3.335 6.914 -5.151 1.00 0.00 O ATOM 138 NE2 GLN A 8 -5.100 8.195 -5.631 1.00 0.00 N ATOM 0 H GLN A 8 -5.924 5.251 -7.964 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.234 5.423 -7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.452 3.737 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.991 4.272 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.266 6.023 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.873 5.652 -4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.098 8.244 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.542 9.049 -5.603 1.00 0.00 H new ATOM 147 N MET A 9 -4.223 2.447 -8.210 1.00 0.00 N ATOM 148 CA MET A 9 -3.730 1.158 -8.676 1.00 0.00 C ATOM 149 C MET A 9 -2.745 1.357 -9.821 1.00 0.00 C ATOM 150 O MET A 9 -1.672 0.759 -9.837 1.00 0.00 O ATOM 151 CB MET A 9 -4.888 0.257 -9.114 1.00 0.00 C ATOM 152 CG MET A 9 -4.431 -1.072 -9.698 1.00 0.00 C ATOM 153 SD MET A 9 -5.785 -2.240 -9.930 1.00 0.00 S ATOM 154 CE MET A 9 -6.237 -2.555 -8.226 1.00 0.00 C ATOM 0 H MET A 9 -5.223 2.594 -8.348 1.00 0.00 H new ATOM 0 HA MET A 9 -3.215 0.667 -7.851 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.534 0.066 -8.257 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.489 0.784 -9.855 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.944 -0.893 -10.657 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.685 -1.515 -9.039 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.992 -3.341 -8.189 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.356 -2.872 -7.668 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.639 -1.644 -7.782 1.00 0.00 H new ATOM 164 N GLU A 10 -3.115 2.221 -10.759 1.00 0.00 N ATOM 165 CA GLU A 10 -2.260 2.587 -11.871 1.00 0.00 C ATOM 166 C GLU A 10 -0.934 3.162 -11.373 1.00 0.00 C ATOM 167 O GLU A 10 0.135 2.806 -11.871 1.00 0.00 O ATOM 168 CB GLU A 10 -3.000 3.613 -12.723 1.00 0.00 C ATOM 169 CG GLU A 10 -4.143 3.029 -13.536 1.00 0.00 C ATOM 170 CD GLU A 10 -3.671 2.073 -14.611 1.00 0.00 C ATOM 171 OE1 GLU A 10 -3.010 2.534 -15.567 1.00 0.00 O ATOM 172 OE2 GLU A 10 -3.978 0.867 -14.526 1.00 0.00 O ATOM 0 H GLU A 10 -4.022 2.687 -10.765 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.029 1.702 -12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.392 4.395 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.290 4.087 -13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.828 2.507 -12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.705 3.840 -13.999 1.00 0.00 H new ATOM 179 N GLU A 11 -1.021 4.042 -10.384 1.00 0.00 N ATOM 180 CA GLU A 11 0.145 4.645 -9.766 1.00 0.00 C ATOM 181 C GLU A 11 1.069 3.587 -9.164 1.00 0.00 C ATOM 182 O GLU A 11 2.285 3.624 -9.367 1.00 0.00 O ATOM 183 CB GLU A 11 -0.314 5.637 -8.696 1.00 0.00 C ATOM 184 CG GLU A 11 -0.689 7.001 -9.255 1.00 0.00 C ATOM 185 CD GLU A 11 -1.097 7.990 -8.179 1.00 0.00 C ATOM 186 OE1 GLU A 11 -0.200 8.563 -7.519 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.310 8.210 -7.993 1.00 0.00 O ATOM 0 H GLU A 11 -1.907 4.357 -9.989 1.00 0.00 H new ATOM 0 HA GLU A 11 0.717 5.171 -10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.173 5.220 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.481 5.760 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.157 7.405 -9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.509 6.884 -9.964 1.00 0.00 H new ATOM 194 N MET A 12 0.488 2.637 -8.436 1.00 0.00 N ATOM 195 CA MET A 12 1.259 1.543 -7.858 1.00 0.00 C ATOM 196 C MET A 12 1.856 0.673 -8.957 1.00 0.00 C ATOM 197 O MET A 12 3.012 0.263 -8.876 1.00 0.00 O ATOM 198 CB MET A 12 0.391 0.688 -6.931 1.00 0.00 C ATOM 199 CG MET A 12 -0.135 1.435 -5.716 1.00 0.00 C ATOM 200 SD MET A 12 -1.019 0.365 -4.566 1.00 0.00 S ATOM 201 CE MET A 12 -2.325 -0.270 -5.612 1.00 0.00 C ATOM 0 H MET A 12 -0.511 2.604 -8.233 1.00 0.00 H new ATOM 0 HA MET A 12 2.067 1.978 -7.270 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.454 0.297 -7.499 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.973 -0.170 -6.594 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.699 1.908 -5.197 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.799 2.234 -6.046 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.845 -1.077 -5.096 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.030 0.529 -5.839 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.896 -0.650 -6.539 1.00 0.00 H new ATOM 211 N LEU A 13 1.060 0.414 -9.990 1.00 0.00 N ATOM 212 CA LEU A 13 1.490 -0.397 -11.126 1.00 0.00 C ATOM 213 C LEU A 13 2.682 0.228 -11.844 1.00 0.00 C ATOM 214 O LEU A 13 3.619 -0.470 -12.235 1.00 0.00 O ATOM 215 CB LEU A 13 0.327 -0.594 -12.106 1.00 0.00 C ATOM 216 CG LEU A 13 -0.763 -1.562 -11.637 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.858 -1.675 -12.683 1.00 0.00 C ATOM 218 CD2 LEU A 13 -0.170 -2.931 -11.339 1.00 0.00 C ATOM 0 H LEU A 13 0.103 0.758 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 13 1.805 -1.367 -10.741 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.130 0.376 -12.302 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.728 -0.955 -13.053 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.200 -1.169 -10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.625 -2.367 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.303 -0.694 -12.851 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.433 -2.045 -13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.960 -3.605 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.293 -3.331 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.582 -2.839 -10.555 1.00 0.00 H new ATOM 230 N ALA A 14 2.648 1.541 -12.011 1.00 0.00 N ATOM 231 CA ALA A 14 3.731 2.253 -12.677 1.00 0.00 C ATOM 232 C ALA A 14 5.018 2.160 -11.869 1.00 0.00 C ATOM 233 O ALA A 14 6.088 1.880 -12.414 1.00 0.00 O ATOM 234 CB ALA A 14 3.350 3.707 -12.910 1.00 0.00 C ATOM 0 H ALA A 14 1.883 2.137 -11.695 1.00 0.00 H new ATOM 0 HA ALA A 14 3.903 1.782 -13.645 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.171 4.223 -13.408 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.459 3.754 -13.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.147 4.188 -11.953 1.00 0.00 H new ATOM 240 N HIS A 15 4.907 2.379 -10.567 1.00 0.00 N ATOM 241 CA HIS A 15 6.061 2.293 -9.683 1.00 0.00 C ATOM 242 C HIS A 15 6.566 0.859 -9.618 1.00 0.00 C ATOM 243 O HIS A 15 7.763 0.620 -9.472 1.00 0.00 O ATOM 244 CB HIS A 15 5.709 2.793 -8.284 1.00 0.00 C ATOM 245 CG HIS A 15 6.910 3.061 -7.423 1.00 0.00 C ATOM 246 ND1 HIS A 15 7.499 4.301 -7.326 1.00 0.00 N ATOM 247 CD2 HIS A 15 7.620 2.249 -6.602 1.00 0.00 C ATOM 248 CE1 HIS A 15 8.514 4.243 -6.488 1.00 0.00 C ATOM 249 NE2 HIS A 15 8.610 3.011 -6.028 1.00 0.00 N ATOM 0 H HIS A 15 4.032 2.617 -10.100 1.00 0.00 H new ATOM 0 HA HIS A 15 6.851 2.928 -10.085 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.123 3.708 -8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.076 2.055 -7.791 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.441 1.198 -6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.160 5.067 -6.222 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.303 2.679 -5.358 1.00 0.00 H new ATOM 258 N ALA A 16 5.640 -0.088 -9.709 1.00 0.00 N ATOM 259 CA ALA A 16 5.986 -1.502 -9.736 1.00 0.00 C ATOM 260 C ALA A 16 6.911 -1.807 -10.905 1.00 0.00 C ATOM 261 O ALA A 16 7.980 -2.380 -10.721 1.00 0.00 O ATOM 262 CB ALA A 16 4.735 -2.360 -9.810 1.00 0.00 C ATOM 0 H ALA A 16 4.639 0.100 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 16 6.511 -1.740 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.017 -3.413 -9.829 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.110 -2.167 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.180 -2.116 -10.716 1.00 0.00 H new ATOM 268 N ARG A 17 6.504 -1.396 -12.104 1.00 0.00 N ATOM 269 CA ARG A 17 7.313 -1.611 -13.303 1.00 0.00 C ATOM 270 C ARG A 17 8.636 -0.860 -13.203 1.00 0.00 C ATOM 271 O ARG A 17 9.679 -1.348 -13.638 1.00 0.00 O ATOM 272 CB ARG A 17 6.556 -1.158 -14.552 1.00 0.00 C ATOM 273 CG ARG A 17 5.313 -1.981 -14.848 1.00 0.00 C ATOM 274 CD ARG A 17 4.653 -1.537 -16.143 1.00 0.00 C ATOM 275 NE ARG A 17 4.125 -0.175 -16.060 1.00 0.00 N ATOM 276 CZ ARG A 17 4.665 0.880 -16.674 1.00 0.00 C ATOM 277 NH1 ARG A 17 5.787 0.750 -17.378 1.00 0.00 N ATOM 278 NH2 ARG A 17 4.081 2.064 -16.572 1.00 0.00 N ATOM 0 H ARG A 17 5.621 -0.913 -12.272 1.00 0.00 H new ATOM 0 HA ARG A 17 7.519 -2.679 -13.381 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.269 -0.113 -14.432 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.226 -1.208 -15.410 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.580 -3.036 -14.916 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.605 -1.884 -14.025 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.377 -1.594 -16.955 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.843 -2.224 -16.389 1.00 0.00 H new ATOM 0 HE ARG A 17 3.289 -0.022 -15.496 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.240 -0.161 -17.451 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.193 1.561 -17.844 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.225 2.165 -16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.488 2.875 -17.038 1.00 0.00 H new ATOM 292 N GLN A 18 8.572 0.334 -12.631 1.00 0.00 N ATOM 293 CA GLN A 18 9.752 1.165 -12.405 1.00 0.00 C ATOM 294 C GLN A 18 10.798 0.438 -11.564 1.00 0.00 C ATOM 295 O GLN A 18 12.002 0.557 -11.806 1.00 0.00 O ATOM 296 CB GLN A 18 9.332 2.451 -11.695 1.00 0.00 C ATOM 297 CG GLN A 18 10.480 3.390 -11.367 1.00 0.00 C ATOM 298 CD GLN A 18 10.039 4.552 -10.498 1.00 0.00 C ATOM 299 OE1 GLN A 18 10.043 4.459 -9.270 1.00 0.00 O ATOM 300 NE2 GLN A 18 9.664 5.654 -11.126 1.00 0.00 N ATOM 0 H GLN A 18 7.701 0.757 -12.309 1.00 0.00 H new ATOM 0 HA GLN A 18 10.199 1.394 -13.373 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.614 2.980 -12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.817 2.190 -10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.267 2.835 -10.856 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.910 3.773 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.676 5.689 -12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.363 6.469 -10.591 1.00 0.00 H new ATOM 309 N ALA A 19 10.332 -0.309 -10.579 1.00 0.00 N ATOM 310 CA ALA A 19 11.220 -0.950 -9.618 1.00 0.00 C ATOM 311 C ALA A 19 11.491 -2.417 -9.949 1.00 0.00 C ATOM 312 O ALA A 19 12.283 -3.064 -9.268 1.00 0.00 O ATOM 313 CB ALA A 19 10.639 -0.833 -8.221 1.00 0.00 C ATOM 0 H ALA A 19 9.340 -0.489 -10.421 1.00 0.00 H new ATOM 0 HA ALA A 19 12.177 -0.430 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.308 -1.314 -7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.527 0.219 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.664 -1.320 -8.190 1.00 0.00 H new ATOM 319 N LEU A 20 10.851 -2.940 -10.989 1.00 0.00 N ATOM 320 CA LEU A 20 11.018 -4.345 -11.358 1.00 0.00 C ATOM 321 C LEU A 20 12.490 -4.684 -11.613 1.00 0.00 C ATOM 322 O LEU A 20 13.240 -3.880 -12.166 1.00 0.00 O ATOM 323 CB LEU A 20 10.184 -4.685 -12.595 1.00 0.00 C ATOM 324 CG LEU A 20 8.676 -4.808 -12.356 1.00 0.00 C ATOM 325 CD1 LEU A 20 7.955 -5.172 -13.645 1.00 0.00 C ATOM 326 CD2 LEU A 20 8.382 -5.839 -11.274 1.00 0.00 C ATOM 0 H LEU A 20 10.214 -2.417 -11.590 1.00 0.00 H new ATOM 0 HA LEU A 20 10.668 -4.946 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.354 -3.917 -13.349 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.547 -5.625 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 20 8.308 -3.840 -12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.885 -5.254 -13.453 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.131 -4.397 -14.392 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.331 -6.125 -14.016 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.305 -5.909 -11.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.769 -6.810 -11.582 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.861 -5.536 -10.343 1.00 0.00 H new ATOM 338 N PRO A 21 12.925 -5.894 -11.219 1.00 0.00 N ATOM 339 CA PRO A 21 12.071 -6.906 -10.606 1.00 0.00 C ATOM 340 C PRO A 21 12.101 -6.883 -9.073 1.00 0.00 C ATOM 341 O PRO A 21 11.952 -7.918 -8.431 1.00 0.00 O ATOM 342 CB PRO A 21 12.700 -8.193 -11.130 1.00 0.00 C ATOM 343 CG PRO A 21 14.163 -7.890 -11.240 1.00 0.00 C ATOM 344 CD PRO A 21 14.303 -6.389 -11.363 1.00 0.00 C ATOM 0 HA PRO A 21 11.018 -6.766 -10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.519 -9.026 -10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.281 -8.473 -12.096 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.698 -8.255 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.595 -8.389 -12.108 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.956 -5.984 -10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.732 -6.105 -12.324 1.00 0.00 H new ATOM 352 N ASN A 22 12.289 -5.701 -8.494 1.00 0.00 N ATOM 353 CA ASN A 22 12.317 -5.551 -7.039 1.00 0.00 C ATOM 354 C ASN A 22 10.899 -5.436 -6.497 1.00 0.00 C ATOM 355 O ASN A 22 9.976 -5.082 -7.235 1.00 0.00 O ATOM 356 CB ASN A 22 13.114 -4.302 -6.630 1.00 0.00 C ATOM 357 CG ASN A 22 14.613 -4.415 -6.867 1.00 0.00 C ATOM 358 OD1 ASN A 22 15.405 -3.770 -6.177 1.00 0.00 O ATOM 359 ND2 ASN A 22 15.019 -5.226 -7.833 1.00 0.00 N ATOM 0 H ASN A 22 12.425 -4.831 -9.009 1.00 0.00 H new ATOM 0 HA ASN A 22 12.802 -6.433 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.733 -3.444 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.938 -4.102 -5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.015 -5.332 -8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.335 -5.745 -8.384 1.00 0.00 H new ATOM 366 N GLU A 23 10.725 -5.737 -5.216 1.00 0.00 N ATOM 367 CA GLU A 23 9.430 -5.573 -4.572 1.00 0.00 C ATOM 368 C GLU A 23 9.101 -4.090 -4.440 1.00 0.00 C ATOM 369 O GLU A 23 9.731 -3.367 -3.664 1.00 0.00 O ATOM 370 CB GLU A 23 9.409 -6.232 -3.188 1.00 0.00 C ATOM 371 CG GLU A 23 9.675 -7.729 -3.210 1.00 0.00 C ATOM 372 CD GLU A 23 9.424 -8.385 -1.866 1.00 0.00 C ATOM 373 OE1 GLU A 23 10.017 -7.942 -0.859 1.00 0.00 O ATOM 374 OE2 GLU A 23 8.649 -9.364 -1.814 1.00 0.00 O ATOM 0 H GLU A 23 11.461 -6.094 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 23 8.680 -6.062 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.156 -5.750 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.438 -6.053 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.040 -8.196 -3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.708 -7.907 -3.510 1.00 0.00 H new ATOM 381 N ALA A 24 8.130 -3.637 -5.216 1.00 0.00 N ATOM 382 CA ALA A 24 7.714 -2.246 -5.176 1.00 0.00 C ATOM 383 C ALA A 24 6.930 -1.972 -3.905 1.00 0.00 C ATOM 384 O ALA A 24 5.852 -2.528 -3.698 1.00 0.00 O ATOM 385 CB ALA A 24 6.885 -1.900 -6.401 1.00 0.00 C ATOM 0 H ALA A 24 7.615 -4.213 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 24 8.603 -1.616 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.583 -0.854 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.478 -2.065 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.998 -2.533 -6.431 1.00 0.00 H new ATOM 391 N CYS A 25 7.480 -1.116 -3.060 1.00 0.00 N ATOM 392 CA CYS A 25 6.874 -0.817 -1.776 1.00 0.00 C ATOM 393 C CYS A 25 6.468 0.649 -1.701 1.00 0.00 C ATOM 394 O CYS A 25 6.971 1.486 -2.453 1.00 0.00 O ATOM 395 CB CYS A 25 7.856 -1.154 -0.649 1.00 0.00 C ATOM 396 SG CYS A 25 7.209 -0.877 1.013 1.00 0.00 S ATOM 0 H CYS A 25 8.349 -0.614 -3.243 1.00 0.00 H new ATOM 0 HA CYS A 25 5.977 -1.425 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 25 8.151 -2.199 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.758 -0.556 -0.779 1.00 0.00 H new ATOM 0 HG CYS A 25 7.758 -1.718 1.838 1.00 0.00 H new ATOM 402 N GLY A 26 5.545 0.946 -0.802 1.00 0.00 N ATOM 403 CA GLY A 26 5.112 2.308 -0.596 1.00 0.00 C ATOM 404 C GLY A 26 4.189 2.430 0.592 1.00 0.00 C ATOM 405 O GLY A 26 3.980 1.461 1.313 1.00 0.00 O ATOM 0 H GLY A 26 5.084 0.259 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.982 2.947 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.602 2.666 -1.490 1.00 0.00 H new ATOM 409 N LEU A 27 3.628 3.613 0.779 1.00 0.00 N ATOM 410 CA LEU A 27 2.711 3.865 1.880 1.00 0.00 C ATOM 411 C LEU A 27 1.379 4.367 1.340 1.00 0.00 C ATOM 412 O LEU A 27 1.318 4.923 0.240 1.00 0.00 O ATOM 413 CB LEU A 27 3.296 4.898 2.849 1.00 0.00 C ATOM 414 CG LEU A 27 4.579 4.474 3.568 1.00 0.00 C ATOM 415 CD1 LEU A 27 5.103 5.612 4.433 1.00 0.00 C ATOM 416 CD2 LEU A 27 4.335 3.234 4.413 1.00 0.00 C ATOM 0 H LEU A 27 3.793 4.420 0.178 1.00 0.00 H new ATOM 0 HA LEU A 27 2.557 2.930 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.496 5.816 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.541 5.135 3.599 1.00 0.00 H new ATOM 0 HG LEU A 27 5.331 4.234 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.016 5.295 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.317 6.477 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.352 5.880 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.259 2.949 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.567 3.446 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.003 2.417 3.773 1.00 0.00 H new ATOM 428 N LEU A 28 0.323 4.179 2.112 1.00 0.00 N ATOM 429 CA LEU A 28 -1.016 4.553 1.683 1.00 0.00 C ATOM 430 C LEU A 28 -1.534 5.718 2.510 1.00 0.00 C ATOM 431 O LEU A 28 -1.364 5.742 3.730 1.00 0.00 O ATOM 432 CB LEU A 28 -1.965 3.364 1.837 1.00 0.00 C ATOM 433 CG LEU A 28 -1.525 2.080 1.137 1.00 0.00 C ATOM 434 CD1 LEU A 28 -2.434 0.931 1.532 1.00 0.00 C ATOM 435 CD2 LEU A 28 -1.523 2.264 -0.374 1.00 0.00 C ATOM 0 H LEU A 28 0.366 3.767 3.044 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.970 4.852 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.088 3.155 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.944 3.650 1.453 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.508 1.845 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.111 0.021 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.386 0.784 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.459 1.162 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.207 1.337 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.527 2.522 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.834 3.065 -0.642 1.00 0.00 H new ATOM 447 N GLY A 29 -2.164 6.679 1.851 1.00 0.00 N ATOM 448 CA GLY A 29 -2.704 7.822 2.550 1.00 0.00 C ATOM 449 C GLY A 29 -4.188 7.998 2.315 1.00 0.00 C ATOM 450 O GLY A 29 -4.684 7.743 1.217 1.00 0.00 O ATOM 0 H GLY A 29 -2.310 6.686 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.520 7.711 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.179 8.722 2.228 1.00 0.00 H new ATOM 454 N GLY A 30 -4.889 8.425 3.350 1.00 0.00 N ATOM 455 CA GLY A 30 -6.319 8.628 3.262 1.00 0.00 C ATOM 456 C GLY A 30 -6.938 8.751 4.636 1.00 0.00 C ATOM 457 O GLY A 30 -6.361 9.382 5.521 1.00 0.00 O ATOM 0 H GLY A 30 -4.487 8.638 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.526 9.529 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.775 7.795 2.728 1.00 0.00 H new ATOM 461 N ARG A 31 -8.101 8.148 4.831 1.00 0.00 N ATOM 462 CA ARG A 31 -8.731 8.142 6.144 1.00 0.00 C ATOM 463 C ARG A 31 -9.230 6.758 6.512 1.00 0.00 C ATOM 464 O ARG A 31 -9.664 5.985 5.661 1.00 0.00 O ATOM 465 CB ARG A 31 -9.897 9.135 6.236 1.00 0.00 C ATOM 466 CG ARG A 31 -9.463 10.585 6.324 1.00 0.00 C ATOM 467 CD ARG A 31 -10.543 11.464 6.936 1.00 0.00 C ATOM 468 NE ARG A 31 -11.685 11.636 6.046 1.00 0.00 N ATOM 469 CZ ARG A 31 -12.914 11.930 6.455 1.00 0.00 C ATOM 470 NH1 ARG A 31 -13.176 12.066 7.754 1.00 0.00 N ATOM 471 NH2 ARG A 31 -13.878 12.092 5.560 1.00 0.00 N ATOM 0 H ARG A 31 -8.625 7.660 4.104 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.959 8.449 6.849 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.538 9.010 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.500 8.893 7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.555 10.656 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.218 10.952 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.879 11.023 7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.122 12.440 7.176 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.530 11.523 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.431 11.944 8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.122 12.292 8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.673 11.991 4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.825 12.318 5.865 1.00 0.00 H new ATOM 485 N ARG A 32 -9.144 6.451 7.792 1.00 0.00 N ATOM 486 CA ARG A 32 -9.749 5.251 8.335 1.00 0.00 C ATOM 487 C ARG A 32 -10.878 5.660 9.260 1.00 0.00 C ATOM 488 O ARG A 32 -10.654 6.373 10.239 1.00 0.00 O ATOM 489 CB ARG A 32 -8.714 4.395 9.080 1.00 0.00 C ATOM 490 CG ARG A 32 -7.667 5.200 9.839 1.00 0.00 C ATOM 491 CD ARG A 32 -7.573 4.778 11.295 1.00 0.00 C ATOM 492 NE ARG A 32 -8.695 5.282 12.087 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.833 5.084 13.398 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.949 4.343 14.057 1.00 0.00 N ATOM 495 NH2 ARG A 32 -9.853 5.629 14.046 1.00 0.00 N ATOM 0 H ARG A 32 -8.656 7.023 8.481 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.140 4.641 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.235 3.745 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.209 3.749 8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.696 5.074 9.361 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.914 6.260 9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.547 3.690 11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.638 5.144 11.718 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.417 5.819 11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.163 3.924 13.560 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.056 4.193 15.060 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.532 6.199 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.959 5.478 15.049 1.00 0.00 H new ATOM 509 N ASP A 33 -12.086 5.205 8.963 1.00 0.00 N ATOM 510 CA ASP A 33 -13.266 5.699 9.676 1.00 0.00 C ATOM 511 C ASP A 33 -13.512 4.896 10.943 1.00 0.00 C ATOM 512 O ASP A 33 -14.432 5.172 11.714 1.00 0.00 O ATOM 513 CB ASP A 33 -14.489 5.675 8.759 1.00 0.00 C ATOM 514 CG ASP A 33 -15.683 6.411 9.338 1.00 0.00 C ATOM 515 OD1 ASP A 33 -15.567 7.629 9.605 1.00 0.00 O ATOM 516 OD2 ASP A 33 -16.746 5.781 9.522 1.00 0.00 O ATOM 0 H ASP A 33 -12.279 4.506 8.246 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.083 6.732 9.973 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.225 6.121 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.768 4.640 8.563 1.00 0.00 H new ATOM 521 N GLY A 34 -12.662 3.917 11.164 1.00 0.00 N ATOM 522 CA GLY A 34 -12.745 3.111 12.363 1.00 0.00 C ATOM 523 C GLY A 34 -12.436 1.668 12.088 1.00 0.00 C ATOM 524 O GLY A 34 -11.619 1.050 12.771 1.00 0.00 O ATOM 0 H GLY A 34 -11.906 3.660 10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.049 3.496 13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.745 3.194 12.788 1.00 0.00 H new ATOM 528 N ASP A 35 -13.083 1.144 11.075 1.00 0.00 N ATOM 529 CA ASP A 35 -12.862 -0.225 10.650 1.00 0.00 C ATOM 530 C ASP A 35 -12.441 -0.252 9.187 1.00 0.00 C ATOM 531 O ASP A 35 -11.671 -1.111 8.764 1.00 0.00 O ATOM 532 CB ASP A 35 -14.136 -1.047 10.858 1.00 0.00 C ATOM 533 CG ASP A 35 -13.913 -2.533 10.673 1.00 0.00 C ATOM 534 OD1 ASP A 35 -13.409 -3.185 11.614 1.00 0.00 O ATOM 535 OD2 ASP A 35 -14.265 -3.066 9.603 1.00 0.00 O ATOM 0 H ASP A 35 -13.775 1.649 10.521 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.064 -0.663 11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.521 -0.864 11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.899 -0.709 10.157 1.00 0.00 H new ATOM 540 N ASP A 36 -12.923 0.725 8.425 1.00 0.00 N ATOM 541 CA ASP A 36 -12.653 0.782 6.988 1.00 0.00 C ATOM 542 C ASP A 36 -11.581 1.813 6.672 1.00 0.00 C ATOM 543 O ASP A 36 -11.289 2.697 7.481 1.00 0.00 O ATOM 544 CB ASP A 36 -13.914 1.122 6.189 1.00 0.00 C ATOM 545 CG ASP A 36 -15.060 0.167 6.449 1.00 0.00 C ATOM 546 OD1 ASP A 36 -15.021 -0.973 5.936 1.00 0.00 O ATOM 547 OD2 ASP A 36 -16.006 0.558 7.164 1.00 0.00 O ATOM 0 H ASP A 36 -13.502 1.488 8.776 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.304 -0.209 6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.231 2.135 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.676 1.113 5.125 1.00 0.00 H new ATOM 552 N ARG A 37 -11.006 1.689 5.482 1.00 0.00 N ATOM 553 CA ARG A 37 -9.942 2.577 5.025 1.00 0.00 C ATOM 554 C ARG A 37 -10.279 3.128 3.642 1.00 0.00 C ATOM 555 O ARG A 37 -10.648 2.369 2.742 1.00 0.00 O ATOM 556 CB ARG A 37 -8.584 1.855 4.937 1.00 0.00 C ATOM 557 CG ARG A 37 -8.288 0.879 6.069 1.00 0.00 C ATOM 558 CD ARG A 37 -8.904 -0.488 5.799 1.00 0.00 C ATOM 559 NE ARG A 37 -8.480 -1.491 6.772 1.00 0.00 N ATOM 560 CZ ARG A 37 -9.207 -2.561 7.098 1.00 0.00 C ATOM 561 NH1 ARG A 37 -10.393 -2.757 6.536 1.00 0.00 N ATOM 562 NH2 ARG A 37 -8.747 -3.431 7.985 1.00 0.00 N ATOM 0 H ARG A 37 -11.264 0.970 4.806 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.865 3.382 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.540 1.313 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.794 2.605 4.911 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.210 0.776 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.678 1.277 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.991 -0.404 5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.627 -0.817 4.798 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.576 -1.366 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.750 -2.089 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.947 -3.576 6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.836 -3.283 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.304 -4.249 8.233 1.00 0.00 H new ATOM 576 N TRP A 38 -10.152 4.434 3.475 1.00 0.00 N ATOM 577 CA TRP A 38 -10.324 5.064 2.177 1.00 0.00 C ATOM 578 C TRP A 38 -9.053 5.794 1.765 1.00 0.00 C ATOM 579 O TRP A 38 -8.608 6.716 2.446 1.00 0.00 O ATOM 580 CB TRP A 38 -11.512 6.026 2.196 1.00 0.00 C ATOM 581 CG TRP A 38 -12.827 5.319 2.139 1.00 0.00 C ATOM 582 CD1 TRP A 38 -13.388 4.757 1.035 1.00 0.00 C ATOM 583 CD2 TRP A 38 -13.741 5.088 3.217 1.00 0.00 C ATOM 584 NE1 TRP A 38 -14.594 4.187 1.353 1.00 0.00 N ATOM 585 CE2 TRP A 38 -14.835 4.378 2.686 1.00 0.00 C ATOM 586 CE3 TRP A 38 -13.745 5.410 4.575 1.00 0.00 C ATOM 587 CZ2 TRP A 38 -15.918 3.984 3.466 1.00 0.00 C ATOM 588 CZ3 TRP A 38 -14.819 5.018 5.346 1.00 0.00 C ATOM 589 CH2 TRP A 38 -15.892 4.313 4.793 1.00 0.00 C ATOM 0 H TRP A 38 -9.928 5.083 4.229 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.527 4.284 1.443 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.469 6.632 3.101 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.435 6.709 1.350 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -12.947 4.759 0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -15.210 3.700 0.702 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -12.923 5.956 5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -16.747 3.439 3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -14.831 5.261 6.398 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -16.717 4.022 5.427 1.00 0.00 H new ATOM 600 N VAL A 39 -8.475 5.365 0.652 1.00 0.00 N ATOM 601 CA VAL A 39 -7.214 5.915 0.169 1.00 0.00 C ATOM 602 C VAL A 39 -7.455 7.093 -0.776 1.00 0.00 C ATOM 603 O VAL A 39 -8.304 7.023 -1.669 1.00 0.00 O ATOM 604 CB VAL A 39 -6.384 4.830 -0.560 1.00 0.00 C ATOM 605 CG1 VAL A 39 -5.049 5.384 -1.036 1.00 0.00 C ATOM 606 CG2 VAL A 39 -6.175 3.621 0.343 1.00 0.00 C ATOM 0 H VAL A 39 -8.863 4.630 0.061 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.657 6.268 1.037 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.944 4.512 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.489 4.599 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.223 6.210 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.477 5.741 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.590 2.869 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.643 3.927 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.142 3.201 0.618 1.00 0.00 H new ATOM 616 N GLU A 40 -6.714 8.174 -0.570 1.00 0.00 N ATOM 617 CA GLU A 40 -6.809 9.340 -1.437 1.00 0.00 C ATOM 618 C GLU A 40 -5.531 9.505 -2.247 1.00 0.00 C ATOM 619 O GLU A 40 -5.548 10.051 -3.352 1.00 0.00 O ATOM 620 CB GLU A 40 -7.108 10.609 -0.616 1.00 0.00 C ATOM 621 CG GLU A 40 -6.060 10.967 0.437 1.00 0.00 C ATOM 622 CD GLU A 40 -4.942 11.863 -0.087 1.00 0.00 C ATOM 623 OE1 GLU A 40 -5.163 12.578 -1.088 1.00 0.00 O ATOM 624 OE2 GLU A 40 -3.833 11.849 0.501 1.00 0.00 O ATOM 0 H GLU A 40 -6.040 8.267 0.190 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.636 9.187 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.212 11.450 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.070 10.482 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.553 11.467 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.623 10.048 0.829 1.00 0.00 H new ATOM 631 N ARG A 41 -4.427 9.015 -1.699 1.00 0.00 N ATOM 632 CA ARG A 41 -3.122 9.194 -2.314 1.00 0.00 C ATOM 633 C ARG A 41 -2.183 8.055 -1.934 1.00 0.00 C ATOM 634 O ARG A 41 -2.236 7.537 -0.817 1.00 0.00 O ATOM 635 CB ARG A 41 -2.553 10.542 -1.872 1.00 0.00 C ATOM 636 CG ARG A 41 -1.146 10.850 -2.340 1.00 0.00 C ATOM 637 CD ARG A 41 -0.729 12.234 -1.872 1.00 0.00 C ATOM 638 NE ARG A 41 -1.059 12.454 -0.460 1.00 0.00 N ATOM 639 CZ ARG A 41 -0.350 13.219 0.364 1.00 0.00 C ATOM 640 NH1 ARG A 41 0.683 13.916 -0.091 1.00 0.00 N ATOM 641 NH2 ARG A 41 -0.693 13.308 1.639 1.00 0.00 N ATOM 0 H ARG A 41 -4.411 8.488 -0.826 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.224 9.181 -3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.215 11.330 -2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.570 10.583 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.454 10.103 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.096 10.796 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.344 12.359 -2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.224 12.989 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.887 11.990 -0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.937 13.867 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.223 14.501 0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.500 12.790 1.987 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.151 13.894 2.273 1.00 0.00 H new ATOM 655 N VAL A 42 -1.340 7.657 -2.872 1.00 0.00 N ATOM 656 CA VAL A 42 -0.356 6.620 -2.625 1.00 0.00 C ATOM 657 C VAL A 42 1.049 7.200 -2.719 1.00 0.00 C ATOM 658 O VAL A 42 1.364 7.943 -3.649 1.00 0.00 O ATOM 659 CB VAL A 42 -0.506 5.445 -3.620 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.613 4.432 -3.442 1.00 0.00 C ATOM 661 CG2 VAL A 42 -1.854 4.765 -3.440 1.00 0.00 C ATOM 0 H VAL A 42 -1.319 8.040 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.525 6.234 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.445 5.852 -4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.483 3.617 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.574 4.916 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.586 4.035 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.943 3.941 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.935 4.381 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.652 5.485 -3.620 1.00 0.00 H new ATOM 671 N TYR A 43 1.880 6.878 -1.740 1.00 0.00 N ATOM 672 CA TYR A 43 3.261 7.335 -1.726 1.00 0.00 C ATOM 673 C TYR A 43 4.222 6.158 -1.820 1.00 0.00 C ATOM 674 O TYR A 43 4.633 5.602 -0.803 1.00 0.00 O ATOM 675 CB TYR A 43 3.563 8.158 -0.475 1.00 0.00 C ATOM 676 CG TYR A 43 3.531 9.653 -0.706 1.00 0.00 C ATOM 677 CD1 TYR A 43 3.764 10.187 -1.970 1.00 0.00 C ATOM 678 CD2 TYR A 43 3.293 10.533 0.342 1.00 0.00 C ATOM 679 CE1 TYR A 43 3.757 11.553 -2.180 1.00 0.00 C ATOM 680 CE2 TYR A 43 3.281 11.898 0.137 1.00 0.00 C ATOM 681 CZ TYR A 43 3.514 12.403 -1.125 1.00 0.00 C ATOM 682 OH TYR A 43 3.511 13.764 -1.329 1.00 0.00 O ATOM 0 H TYR A 43 1.621 6.299 -0.941 1.00 0.00 H new ATOM 0 HA TYR A 43 3.401 7.974 -2.597 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.839 7.904 0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.546 7.879 -0.096 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.953 9.523 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.114 10.143 1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.941 11.951 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.090 12.568 0.962 1.00 0.00 H new ATOM 0 HH TYR A 43 3.191 14.215 -0.520 1.00 0.00 H new ATOM 692 N PRO A 44 4.552 5.729 -3.042 1.00 0.00 N ATOM 693 CA PRO A 44 5.475 4.620 -3.265 1.00 0.00 C ATOM 694 C PRO A 44 6.923 5.023 -3.002 1.00 0.00 C ATOM 695 O PRO A 44 7.423 5.988 -3.579 1.00 0.00 O ATOM 696 CB PRO A 44 5.272 4.265 -4.744 1.00 0.00 C ATOM 697 CG PRO A 44 4.122 5.095 -5.216 1.00 0.00 C ATOM 698 CD PRO A 44 4.068 6.284 -4.307 1.00 0.00 C ATOM 0 HA PRO A 44 5.281 3.785 -2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.170 4.479 -5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.061 3.202 -4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.263 5.403 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.191 4.530 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.700 7.098 -4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.057 6.682 -4.217 1.00 0.00 H new ATOM 706 N LEU A 45 7.598 4.273 -2.137 1.00 0.00 N ATOM 707 CA LEU A 45 8.963 4.599 -1.750 1.00 0.00 C ATOM 708 C LEU A 45 9.973 3.857 -2.616 1.00 0.00 C ATOM 709 O LEU A 45 9.603 3.082 -3.505 1.00 0.00 O ATOM 710 CB LEU A 45 9.222 4.277 -0.269 1.00 0.00 C ATOM 711 CG LEU A 45 8.527 5.186 0.756 1.00 0.00 C ATOM 712 CD1 LEU A 45 8.581 6.645 0.320 1.00 0.00 C ATOM 713 CD2 LEU A 45 7.094 4.746 0.991 1.00 0.00 C ATOM 0 H LEU A 45 7.221 3.436 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 45 9.087 5.671 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.910 3.249 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.297 4.321 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 45 9.066 5.096 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.082 7.266 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.621 6.958 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.079 6.756 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.626 5.406 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.541 4.791 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.085 3.724 1.369 1.00 0.00 H new ATOM 725 N ASN A 46 11.245 4.098 -2.346 1.00 0.00 N ATOM 726 CA ASN A 46 12.330 3.496 -3.108 1.00 0.00 C ATOM 727 C ASN A 46 12.848 2.248 -2.398 1.00 0.00 C ATOM 728 O ASN A 46 12.692 2.105 -1.182 1.00 0.00 O ATOM 729 CB ASN A 46 13.452 4.526 -3.279 1.00 0.00 C ATOM 730 CG ASN A 46 14.611 4.031 -4.125 1.00 0.00 C ATOM 731 OD1 ASN A 46 14.440 3.197 -5.014 1.00 0.00 O ATOM 732 ND2 ASN A 46 15.799 4.552 -3.852 1.00 0.00 N ATOM 0 H ASN A 46 11.556 4.714 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 46 11.965 3.196 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.040 5.427 -3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.827 4.809 -2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.618 4.264 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.895 5.241 -3.106 1.00 0.00 H new ATOM 739 N ASN A 47 13.450 1.334 -3.145 1.00 0.00 N ATOM 740 CA ASN A 47 14.007 0.134 -2.547 1.00 0.00 C ATOM 741 C ASN A 47 15.490 0.325 -2.280 1.00 0.00 C ATOM 742 O ASN A 47 16.325 0.175 -3.174 1.00 0.00 O ATOM 743 CB ASN A 47 13.790 -1.102 -3.420 1.00 0.00 C ATOM 744 CG ASN A 47 14.305 -2.353 -2.735 1.00 0.00 C ATOM 745 OD1 ASN A 47 14.367 -2.411 -1.506 1.00 0.00 O ATOM 746 ND2 ASN A 47 14.679 -3.356 -3.513 1.00 0.00 N ATOM 0 H ASN A 47 13.564 1.401 -4.156 1.00 0.00 H new ATOM 0 HA ASN A 47 13.482 -0.033 -1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.728 -1.215 -3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.300 -0.971 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.035 -4.218 -3.099 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.612 -3.267 -4.527 1.00 0.00 H new ATOM 753 N LEU A 48 15.802 0.667 -1.042 1.00 0.00 N ATOM 754 CA LEU A 48 17.171 0.946 -0.628 1.00 0.00 C ATOM 755 C LEU A 48 18.016 -0.324 -0.608 1.00 0.00 C ATOM 756 O LEU A 48 19.246 -0.257 -0.587 1.00 0.00 O ATOM 757 CB LEU A 48 17.171 1.593 0.763 1.00 0.00 C ATOM 758 CG LEU A 48 16.805 3.086 0.816 1.00 0.00 C ATOM 759 CD1 LEU A 48 17.940 3.926 0.272 1.00 0.00 C ATOM 760 CD2 LEU A 48 15.526 3.383 0.046 1.00 0.00 C ATOM 0 H LEU A 48 15.115 0.760 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 48 17.610 1.632 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.472 1.046 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 48 18.162 1.467 1.200 1.00 0.00 H new ATOM 0 HG LEU A 48 16.633 3.342 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.666 4.980 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.836 3.759 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.137 3.645 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.303 4.448 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.656 3.100 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.702 2.814 0.476 1.00 0.00 H new ATOM 772 N ASP A 49 17.350 -1.474 -0.632 1.00 0.00 N ATOM 773 CA ASP A 49 18.033 -2.759 -0.519 1.00 0.00 C ATOM 774 C ASP A 49 18.781 -3.089 -1.807 1.00 0.00 C ATOM 775 O ASP A 49 19.841 -3.715 -1.773 1.00 0.00 O ATOM 776 CB ASP A 49 17.028 -3.872 -0.212 1.00 0.00 C ATOM 777 CG ASP A 49 17.632 -4.985 0.620 1.00 0.00 C ATOM 778 OD1 ASP A 49 18.328 -5.845 0.059 1.00 0.00 O ATOM 779 OD2 ASP A 49 17.405 -5.005 1.848 1.00 0.00 O ATOM 0 H ASP A 49 16.337 -1.543 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 49 18.751 -2.688 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.173 -3.450 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 49 16.651 -4.285 -1.148 1.00 0.00 H new ATOM 784 N GLN A 50 18.216 -2.650 -2.938 1.00 0.00 N ATOM 785 CA GLN A 50 18.782 -2.917 -4.265 1.00 0.00 C ATOM 786 C GLN A 50 18.817 -4.412 -4.572 1.00 0.00 C ATOM 787 O GLN A 50 19.541 -4.854 -5.466 1.00 0.00 O ATOM 788 CB GLN A 50 20.187 -2.329 -4.397 1.00 0.00 C ATOM 789 CG GLN A 50 20.217 -0.816 -4.510 1.00 0.00 C ATOM 790 CD GLN A 50 21.626 -0.281 -4.665 1.00 0.00 C ATOM 791 OE1 GLN A 50 22.580 -0.856 -4.149 1.00 0.00 O ATOM 792 NE2 GLN A 50 21.769 0.820 -5.381 1.00 0.00 N ATOM 0 H GLN A 50 17.356 -2.101 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 50 18.128 -2.432 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.778 -2.630 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.668 -2.758 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.616 -0.505 -5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 50 19.760 -0.378 -3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.952 1.269 -5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 50 22.697 1.221 -5.521 1.00 0.00 H new ATOM 801 N SER A 51 18.029 -5.184 -3.841 1.00 0.00 N ATOM 802 CA SER A 51 17.978 -6.618 -4.053 1.00 0.00 C ATOM 803 C SER A 51 16.776 -6.992 -4.910 1.00 0.00 C ATOM 804 O SER A 51 15.691 -6.433 -4.748 1.00 0.00 O ATOM 805 CB SER A 51 17.910 -7.335 -2.705 1.00 0.00 C ATOM 806 OG SER A 51 19.104 -7.140 -1.966 1.00 0.00 O ATOM 0 H SER A 51 17.419 -4.842 -3.099 1.00 0.00 H new ATOM 0 HA SER A 51 18.881 -6.928 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.059 -6.963 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.746 -8.401 -2.864 1.00 0.00 H new ATOM 0 HG SER A 51 18.884 -6.983 -1.024 1.00 0.00 H new ATOM 812 N PRO A 52 16.951 -7.961 -5.821 1.00 0.00 N ATOM 813 CA PRO A 52 15.873 -8.428 -6.691 1.00 0.00 C ATOM 814 C PRO A 52 14.848 -9.289 -5.959 1.00 0.00 C ATOM 815 O PRO A 52 13.742 -9.491 -6.454 1.00 0.00 O ATOM 816 CB PRO A 52 16.602 -9.252 -7.754 1.00 0.00 C ATOM 817 CG PRO A 52 17.849 -9.718 -7.086 1.00 0.00 C ATOM 818 CD PRO A 52 18.228 -8.641 -6.107 1.00 0.00 C ATOM 0 HA PRO A 52 15.297 -7.595 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.994 -10.093 -8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 52 16.826 -8.651 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.686 -10.668 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.644 -9.879 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO A 52 18.670 -9.060 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 52 18.961 -7.954 -6.531 1.00 0.00 H new ATOM 826 N GLU A 53 15.213 -9.807 -4.790 1.00 0.00 N ATOM 827 CA GLU A 53 14.292 -10.643 -4.032 1.00 0.00 C ATOM 828 C GLU A 53 13.306 -9.810 -3.224 1.00 0.00 C ATOM 829 O GLU A 53 12.095 -9.992 -3.348 1.00 0.00 O ATOM 830 CB GLU A 53 15.025 -11.617 -3.100 1.00 0.00 C ATOM 831 CG GLU A 53 16.162 -11.003 -2.303 1.00 0.00 C ATOM 832 CD GLU A 53 17.511 -11.273 -2.922 1.00 0.00 C ATOM 833 OE1 GLU A 53 18.083 -12.349 -2.659 1.00 0.00 O ATOM 834 OE2 GLU A 53 18.006 -10.415 -3.672 1.00 0.00 O ATOM 0 H GLU A 53 16.124 -9.665 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 53 13.739 -11.224 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.303 -12.045 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.421 -12.440 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.009 -9.926 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.146 -11.399 -1.288 1.00 0.00 H new ATOM 841 N HIS A 54 13.813 -8.903 -2.392 1.00 0.00 N ATOM 842 CA HIS A 54 12.956 -8.195 -1.447 1.00 0.00 C ATOM 843 C HIS A 54 13.364 -6.739 -1.273 1.00 0.00 C ATOM 844 O HIS A 54 14.406 -6.306 -1.769 1.00 0.00 O ATOM 845 CB HIS A 54 12.954 -8.899 -0.091 1.00 0.00 C ATOM 846 CG HIS A 54 12.217 -10.197 -0.109 1.00 0.00 C ATOM 847 ND1 HIS A 54 10.892 -10.317 0.236 1.00 0.00 N ATOM 848 CD2 HIS A 54 12.629 -11.430 -0.456 1.00 0.00 C ATOM 849 CE1 HIS A 54 10.524 -11.577 0.119 1.00 0.00 C ATOM 850 NE2 HIS A 54 11.561 -12.278 -0.302 1.00 0.00 N ATOM 0 H HIS A 54 14.799 -8.644 -2.353 1.00 0.00 H new ATOM 0 HA HIS A 54 11.949 -8.207 -1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.983 -9.076 0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 54 12.503 -8.242 0.653 1.00 0.00 H new ATOM 0 HD1 HIS A 54 10.288 -9.551 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 54 13.618 -11.702 -0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 54 9.541 -11.970 0.331 1.00 0.00 H new ATOM 0 HE2 HIS A 54 11.567 -13.282 -0.483 1.00 0.00 H new ATOM 859 N PHE A 55 12.529 -5.997 -0.552 1.00 0.00 N ATOM 860 CA PHE A 55 12.757 -4.578 -0.303 1.00 0.00 C ATOM 861 C PHE A 55 13.134 -4.332 1.156 1.00 0.00 C ATOM 862 O PHE A 55 13.006 -5.221 1.997 1.00 0.00 O ATOM 863 CB PHE A 55 11.492 -3.773 -0.637 1.00 0.00 C ATOM 864 CG PHE A 55 10.355 -4.005 0.329 1.00 0.00 C ATOM 865 CD1 PHE A 55 9.494 -5.077 0.163 1.00 0.00 C ATOM 866 CD2 PHE A 55 10.158 -3.154 1.408 1.00 0.00 C ATOM 867 CE1 PHE A 55 8.459 -5.297 1.051 1.00 0.00 C ATOM 868 CE2 PHE A 55 9.125 -3.370 2.300 1.00 0.00 C ATOM 869 CZ PHE A 55 8.274 -4.442 2.121 1.00 0.00 C ATOM 0 H PHE A 55 11.677 -6.362 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 55 13.580 -4.255 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.739 -2.711 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.162 -4.032 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.633 -5.749 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.820 -2.313 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.795 -6.137 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.984 -2.701 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.465 -4.612 2.816 1.00 0.00 H new ATOM 879 N SER A 56 13.595 -3.118 1.450 1.00 0.00 N ATOM 880 CA SER A 56 13.817 -2.694 2.832 1.00 0.00 C ATOM 881 C SER A 56 13.435 -1.231 3.041 1.00 0.00 C ATOM 882 O SER A 56 13.564 -0.706 4.149 1.00 0.00 O ATOM 883 CB SER A 56 15.278 -2.895 3.226 1.00 0.00 C ATOM 884 OG SER A 56 15.556 -4.252 3.528 1.00 0.00 O ATOM 0 H SER A 56 13.822 -2.411 0.751 1.00 0.00 H new ATOM 0 HA SER A 56 13.179 -3.311 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.924 -2.563 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.511 -2.274 4.091 1.00 0.00 H new ATOM 0 HG SER A 56 16.411 -4.508 3.124 1.00 0.00 H new ATOM 890 N MET A 57 12.935 -0.610 1.973 1.00 0.00 N ATOM 891 CA MET A 57 12.539 0.811 1.949 1.00 0.00 C ATOM 892 C MET A 57 13.569 1.715 2.651 1.00 0.00 C ATOM 893 O MET A 57 14.717 1.322 2.849 1.00 0.00 O ATOM 894 CB MET A 57 11.134 1.005 2.551 1.00 0.00 C ATOM 895 CG MET A 57 11.065 0.933 4.072 1.00 0.00 C ATOM 896 SD MET A 57 9.444 1.395 4.719 1.00 0.00 S ATOM 897 CE MET A 57 8.411 0.092 4.049 1.00 0.00 C ATOM 0 H MET A 57 12.788 -1.083 1.081 1.00 0.00 H new ATOM 0 HA MET A 57 12.508 1.114 0.903 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.750 1.973 2.231 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.470 0.246 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.305 -0.080 4.395 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.822 1.591 4.497 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.599 0.533 3.471 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.009 -0.551 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.996 -0.499 4.865 1.00 0.00 H new ATOM 907 N ASP A 58 13.178 2.947 2.966 1.00 0.00 N ATOM 908 CA ASP A 58 14.006 3.823 3.790 1.00 0.00 C ATOM 909 C ASP A 58 13.146 4.510 4.844 1.00 0.00 C ATOM 910 O ASP A 58 12.015 4.907 4.563 1.00 0.00 O ATOM 911 CB ASP A 58 14.694 4.875 2.921 1.00 0.00 C ATOM 912 CG ASP A 58 15.601 5.785 3.714 1.00 0.00 C ATOM 913 OD1 ASP A 58 16.690 5.336 4.123 1.00 0.00 O ATOM 914 OD2 ASP A 58 15.231 6.955 3.925 1.00 0.00 O ATOM 0 H ASP A 58 12.296 3.360 2.664 1.00 0.00 H new ATOM 0 HA ASP A 58 14.768 3.220 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.275 4.376 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.937 5.474 2.416 1.00 0.00 H new ATOM 919 N PRO A 59 13.669 4.672 6.073 1.00 0.00 N ATOM 920 CA PRO A 59 12.929 5.305 7.170 1.00 0.00 C ATOM 921 C PRO A 59 12.766 6.815 7.000 1.00 0.00 C ATOM 922 O PRO A 59 11.808 7.397 7.506 1.00 0.00 O ATOM 923 CB PRO A 59 13.784 4.997 8.403 1.00 0.00 C ATOM 924 CG PRO A 59 15.161 4.806 7.872 1.00 0.00 C ATOM 925 CD PRO A 59 15.000 4.202 6.504 1.00 0.00 C ATOM 0 HA PRO A 59 11.909 4.926 7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.748 5.814 9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.430 4.103 8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.693 5.756 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.742 4.151 8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.783 4.536 5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.050 3.114 6.538 1.00 0.00 H new ATOM 933 N ARG A 60 13.685 7.450 6.277 1.00 0.00 N ATOM 934 CA ARG A 60 13.659 8.904 6.146 1.00 0.00 C ATOM 935 C ARG A 60 12.523 9.331 5.233 1.00 0.00 C ATOM 936 O ARG A 60 11.745 10.230 5.566 1.00 0.00 O ATOM 937 CB ARG A 60 14.982 9.426 5.587 1.00 0.00 C ATOM 938 CG ARG A 60 16.198 8.996 6.384 1.00 0.00 C ATOM 939 CD ARG A 60 17.477 9.288 5.619 1.00 0.00 C ATOM 940 NE ARG A 60 18.661 8.803 6.322 1.00 0.00 N ATOM 941 CZ ARG A 60 19.286 7.667 6.019 1.00 0.00 C ATOM 942 NH1 ARG A 60 18.803 6.865 5.079 1.00 0.00 N ATOM 943 NH2 ARG A 60 20.384 7.325 6.678 1.00 0.00 N ATOM 0 H ARG A 60 14.447 6.989 5.779 1.00 0.00 H new ATOM 0 HA ARG A 60 13.506 9.326 7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 60 15.093 9.080 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.947 10.515 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 60 16.214 9.518 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 60 16.136 7.930 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 60 17.424 8.822 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 60 17.566 10.363 5.459 1.00 0.00 H new ATOM 0 HE ARG A 60 19.030 9.366 7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.948 7.117 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.287 5.996 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 60 20.747 7.931 7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.866 6.456 6.449 1.00 0.00 H new ATOM 957 N GLU A 61 12.406 8.668 4.091 1.00 0.00 N ATOM 958 CA GLU A 61 11.320 8.964 3.174 1.00 0.00 C ATOM 959 C GLU A 61 9.995 8.459 3.741 1.00 0.00 C ATOM 960 O GLU A 61 8.947 9.064 3.511 1.00 0.00 O ATOM 961 CB GLU A 61 11.600 8.407 1.776 1.00 0.00 C ATOM 962 CG GLU A 61 12.044 6.959 1.746 1.00 0.00 C ATOM 963 CD GLU A 61 12.627 6.580 0.399 1.00 0.00 C ATOM 964 OE1 GLU A 61 13.821 6.871 0.164 1.00 0.00 O ATOM 965 OE2 GLU A 61 11.891 6.024 -0.443 1.00 0.00 O ATOM 0 H GLU A 61 13.041 7.932 3.782 1.00 0.00 H new ATOM 0 HA GLU A 61 11.244 10.046 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.698 8.508 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.369 9.018 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.787 6.790 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.195 6.313 1.970 1.00 0.00 H new ATOM 972 N GLN A 62 10.054 7.356 4.489 1.00 0.00 N ATOM 973 CA GLN A 62 8.887 6.832 5.181 1.00 0.00 C ATOM 974 C GLN A 62 8.315 7.872 6.140 1.00 0.00 C ATOM 975 O GLN A 62 7.121 8.166 6.106 1.00 0.00 O ATOM 976 CB GLN A 62 9.271 5.580 5.967 1.00 0.00 C ATOM 977 CG GLN A 62 8.118 4.982 6.746 1.00 0.00 C ATOM 978 CD GLN A 62 8.569 3.973 7.784 1.00 0.00 C ATOM 979 OE1 GLN A 62 8.846 4.323 8.930 1.00 0.00 O ATOM 980 NE2 GLN A 62 8.652 2.713 7.392 1.00 0.00 N ATOM 0 H GLN A 62 10.904 6.810 4.628 1.00 0.00 H new ATOM 0 HA GLN A 62 8.130 6.584 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.660 4.832 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.077 5.827 6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.566 5.782 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.429 4.500 6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.414 2.461 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.954 1.993 8.049 1.00 0.00 H new ATOM 989 N LEU A 63 9.178 8.441 6.976 1.00 0.00 N ATOM 990 CA LEU A 63 8.752 9.420 7.970 1.00 0.00 C ATOM 991 C LEU A 63 8.202 10.670 7.295 1.00 0.00 C ATOM 992 O LEU A 63 7.175 11.216 7.706 1.00 0.00 O ATOM 993 CB LEU A 63 9.919 9.786 8.889 1.00 0.00 C ATOM 994 CG LEU A 63 9.602 10.825 9.969 1.00 0.00 C ATOM 995 CD1 LEU A 63 8.512 10.319 10.900 1.00 0.00 C ATOM 996 CD2 LEU A 63 10.856 11.172 10.754 1.00 0.00 C ATOM 0 H LEU A 63 10.178 8.240 6.985 1.00 0.00 H new ATOM 0 HA LEU A 63 7.958 8.975 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.275 8.878 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.738 10.162 8.276 1.00 0.00 H new ATOM 0 HG LEU A 63 9.238 11.729 9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.303 11.073 11.659 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.607 10.121 10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.844 9.400 11.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.614 11.911 11.518 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.247 10.273 11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.607 11.581 10.078 1.00 0.00 H new ATOM 1008 N THR A 64 8.884 11.109 6.248 1.00 0.00 N ATOM 1009 CA THR A 64 8.470 12.286 5.503 1.00 0.00 C ATOM 1010 C THR A 64 7.094 12.074 4.866 1.00 0.00 C ATOM 1011 O THR A 64 6.254 12.972 4.881 1.00 0.00 O ATOM 1012 CB THR A 64 9.506 12.639 4.418 1.00 0.00 C ATOM 1013 OG1 THR A 64 10.804 12.745 5.019 1.00 0.00 O ATOM 1014 CG2 THR A 64 9.155 13.949 3.726 1.00 0.00 C ATOM 0 H THR A 64 9.731 10.664 5.894 1.00 0.00 H new ATOM 0 HA THR A 64 8.403 13.117 6.205 1.00 0.00 H new ATOM 0 HB THR A 64 9.504 11.848 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.180 11.849 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.904 14.171 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.176 13.861 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.133 14.754 4.460 1.00 0.00 H new ATOM 1022 N ALA A 65 6.860 10.873 4.344 1.00 0.00 N ATOM 1023 CA ALA A 65 5.583 10.542 3.717 1.00 0.00 C ATOM 1024 C ALA A 65 4.445 10.597 4.730 1.00 0.00 C ATOM 1025 O ALA A 65 3.359 11.094 4.432 1.00 0.00 O ATOM 1026 CB ALA A 65 5.650 9.168 3.067 1.00 0.00 C ATOM 0 H ALA A 65 7.539 10.112 4.343 1.00 0.00 H new ATOM 0 HA ALA A 65 5.384 11.284 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.690 8.937 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.430 9.163 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.878 8.418 3.824 1.00 0.00 H new ATOM 1032 N VAL A 66 4.703 10.097 5.933 1.00 0.00 N ATOM 1033 CA VAL A 66 3.707 10.122 6.998 1.00 0.00 C ATOM 1034 C VAL A 66 3.410 11.562 7.421 1.00 0.00 C ATOM 1035 O VAL A 66 2.257 11.929 7.648 1.00 0.00 O ATOM 1036 CB VAL A 66 4.172 9.311 8.230 1.00 0.00 C ATOM 1037 CG1 VAL A 66 3.129 9.345 9.338 1.00 0.00 C ATOM 1038 CG2 VAL A 66 4.484 7.873 7.840 1.00 0.00 C ATOM 0 H VAL A 66 5.592 9.670 6.195 1.00 0.00 H new ATOM 0 HA VAL A 66 2.800 9.663 6.604 1.00 0.00 H new ATOM 0 HB VAL A 66 5.083 9.775 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.485 8.766 10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.959 10.377 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.196 8.917 8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.809 7.320 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.590 7.406 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.277 7.863 7.092 1.00 0.00 H new ATOM 1048 N LYS A 67 4.453 12.377 7.509 1.00 0.00 N ATOM 1049 CA LYS A 67 4.295 13.774 7.897 1.00 0.00 C ATOM 1050 C LYS A 67 3.552 14.550 6.813 1.00 0.00 C ATOM 1051 O LYS A 67 2.636 15.321 7.104 1.00 0.00 O ATOM 1052 CB LYS A 67 5.659 14.414 8.152 1.00 0.00 C ATOM 1053 CG LYS A 67 5.573 15.810 8.755 1.00 0.00 C ATOM 1054 CD LYS A 67 6.948 16.436 8.948 1.00 0.00 C ATOM 1055 CE LYS A 67 7.832 15.609 9.869 1.00 0.00 C ATOM 1056 NZ LYS A 67 9.094 16.321 10.201 1.00 0.00 N ATOM 0 H LYS A 67 5.415 12.097 7.318 1.00 0.00 H new ATOM 0 HA LYS A 67 3.711 13.809 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.233 13.773 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.208 14.466 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.972 16.448 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.060 15.759 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.436 16.543 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.834 17.439 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.290 15.381 10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.065 14.657 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.672 15.728 10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.623 16.516 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.871 17.218 10.678 1.00 0.00 H new ATOM 1070 N ASP A 68 3.945 14.323 5.565 1.00 0.00 N ATOM 1071 CA ASP A 68 3.322 14.981 4.417 1.00 0.00 C ATOM 1072 C ASP A 68 1.847 14.632 4.345 1.00 0.00 C ATOM 1073 O ASP A 68 1.014 15.443 3.936 1.00 0.00 O ATOM 1074 CB ASP A 68 3.999 14.539 3.123 1.00 0.00 C ATOM 1075 CG ASP A 68 3.598 15.390 1.933 1.00 0.00 C ATOM 1076 OD1 ASP A 68 2.512 15.163 1.363 1.00 0.00 O ATOM 1077 OD2 ASP A 68 4.374 16.294 1.558 1.00 0.00 O ATOM 0 H ASP A 68 4.699 13.682 5.319 1.00 0.00 H new ATOM 0 HA ASP A 68 3.436 16.058 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.081 14.585 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.746 13.498 2.922 1.00 0.00 H new ATOM 1082 N MET A 69 1.538 13.409 4.736 1.00 0.00 N ATOM 1083 CA MET A 69 0.165 12.929 4.741 1.00 0.00 C ATOM 1084 C MET A 69 -0.718 13.830 5.596 1.00 0.00 C ATOM 1085 O MET A 69 -1.773 14.286 5.150 1.00 0.00 O ATOM 1086 CB MET A 69 0.107 11.500 5.275 1.00 0.00 C ATOM 1087 CG MET A 69 -1.053 10.696 4.718 1.00 0.00 C ATOM 1088 SD MET A 69 -0.931 10.464 2.937 1.00 0.00 S ATOM 1089 CE MET A 69 0.599 9.540 2.820 1.00 0.00 C ATOM 0 H MET A 69 2.223 12.725 5.057 1.00 0.00 H new ATOM 0 HA MET A 69 -0.204 12.946 3.716 1.00 0.00 H new ATOM 0 HB2 MET A 69 1.041 10.992 5.034 1.00 0.00 H new ATOM 0 HB3 MET A 69 0.031 11.529 6.362 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.086 9.723 5.208 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.989 11.203 4.953 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.638 9.021 1.862 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.444 10.224 2.896 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.647 8.812 3.630 1.00 0.00 H new ATOM 1099 N ARG A 70 -0.262 14.128 6.810 1.00 0.00 N ATOM 1100 CA ARG A 70 -1.036 14.965 7.722 1.00 0.00 C ATOM 1101 C ARG A 70 -0.972 16.425 7.284 1.00 0.00 C ATOM 1102 O ARG A 70 -1.863 17.218 7.589 1.00 0.00 O ATOM 1103 CB ARG A 70 -0.549 14.818 9.167 1.00 0.00 C ATOM 1104 CG ARG A 70 -1.483 15.482 10.167 1.00 0.00 C ATOM 1105 CD ARG A 70 -1.038 15.285 11.608 1.00 0.00 C ATOM 1106 NE ARG A 70 -2.004 15.865 12.543 1.00 0.00 N ATOM 1107 CZ ARG A 70 -1.887 15.845 13.871 1.00 0.00 C ATOM 1108 NH1 ARG A 70 -0.815 15.316 14.452 1.00 0.00 N ATOM 1109 NH2 ARG A 70 -2.843 16.379 14.620 1.00 0.00 N ATOM 0 H ARG A 70 0.631 13.806 7.182 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.073 14.630 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.456 13.759 9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.445 15.255 9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.540 16.549 9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.488 15.078 10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.922 14.221 11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.062 15.746 11.756 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.828 16.318 12.149 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.069 14.919 13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.738 15.307 15.469 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.660 16.801 14.179 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.761 16.368 15.637 1.00 0.00 H new ATOM 1123 N LYS A 71 0.088 16.767 6.565 1.00 0.00 N ATOM 1124 CA LYS A 71 0.227 18.092 5.970 1.00 0.00 C ATOM 1125 C LYS A 71 -0.907 18.337 4.977 1.00 0.00 C ATOM 1126 O LYS A 71 -1.468 19.431 4.905 1.00 0.00 O ATOM 1127 CB LYS A 71 1.572 18.194 5.248 1.00 0.00 C ATOM 1128 CG LYS A 71 1.853 19.554 4.632 1.00 0.00 C ATOM 1129 CD LYS A 71 2.785 19.431 3.436 1.00 0.00 C ATOM 1130 CE LYS A 71 2.111 18.685 2.292 1.00 0.00 C ATOM 1131 NZ LYS A 71 3.009 18.508 1.122 1.00 0.00 N ATOM 0 H LYS A 71 0.871 16.141 6.378 1.00 0.00 H new ATOM 0 HA LYS A 71 0.181 18.843 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.368 17.957 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.607 17.439 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.916 20.016 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.300 20.210 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.085 20.424 3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.694 18.907 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.781 17.708 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.219 19.230 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.457 18.167 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.451 19.419 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.749 17.815 1.354 1.00 0.00 H new ATOM 1145 N ASN A 72 -1.247 17.294 4.228 1.00 0.00 N ATOM 1146 CA ASN A 72 -2.307 17.372 3.228 1.00 0.00 C ATOM 1147 C ASN A 72 -3.679 17.293 3.900 1.00 0.00 C ATOM 1148 O ASN A 72 -4.691 17.700 3.329 1.00 0.00 O ATOM 1149 CB ASN A 72 -2.142 16.240 2.203 1.00 0.00 C ATOM 1150 CG ASN A 72 -3.014 16.411 0.968 1.00 0.00 C ATOM 1151 OD1 ASN A 72 -3.327 17.531 0.559 1.00 0.00 O ATOM 1152 ND2 ASN A 72 -3.401 15.301 0.354 1.00 0.00 N ATOM 0 H ASN A 72 -0.801 16.379 4.295 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.235 18.328 2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.097 16.187 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.383 15.290 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.977 15.357 -0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.123 14.391 0.722 1.00 0.00 H new ATOM 1159 N GLY A 73 -3.701 16.787 5.128 1.00 0.00 N ATOM 1160 CA GLY A 73 -4.942 16.704 5.877 1.00 0.00 C ATOM 1161 C GLY A 73 -5.491 15.295 5.941 1.00 0.00 C ATOM 1162 O GLY A 73 -6.686 15.096 6.150 1.00 0.00 O ATOM 0 H GLY A 73 -2.880 16.432 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.776 17.071 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.683 17.358 5.418 1.00 0.00 H new ATOM 1166 N TRP A 74 -4.613 14.319 5.770 1.00 0.00 N ATOM 1167 CA TRP A 74 -5.005 12.919 5.773 1.00 0.00 C ATOM 1168 C TRP A 74 -4.049 12.088 6.622 1.00 0.00 C ATOM 1169 O TRP A 74 -3.044 12.601 7.113 1.00 0.00 O ATOM 1170 CB TRP A 74 -5.068 12.406 4.337 1.00 0.00 C ATOM 1171 CG TRP A 74 -6.400 12.682 3.719 1.00 0.00 C ATOM 1172 CD1 TRP A 74 -7.565 12.099 4.079 1.00 0.00 C ATOM 1173 CD2 TRP A 74 -6.718 13.607 2.673 1.00 0.00 C ATOM 1174 NE1 TRP A 74 -8.600 12.577 3.313 1.00 0.00 N ATOM 1175 CE2 TRP A 74 -8.104 13.507 2.440 1.00 0.00 C ATOM 1176 CE3 TRP A 74 -5.973 14.502 1.906 1.00 0.00 C ATOM 1177 CZ2 TRP A 74 -8.757 14.269 1.474 1.00 0.00 C ATOM 1178 CZ3 TRP A 74 -6.621 15.260 0.946 1.00 0.00 C ATOM 1179 CH2 TRP A 74 -8.001 15.139 0.738 1.00 0.00 C ATOM 0 H TRP A 74 -3.615 14.474 5.626 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.995 12.824 6.220 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.285 12.880 3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.874 11.334 4.323 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.668 11.360 4.860 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -9.575 12.287 3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.908 14.602 2.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.821 14.176 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.053 15.957 0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.477 15.745 -0.019 1.00 0.00 H new ATOM 1190 N VAL A 75 -4.368 10.817 6.815 1.00 0.00 N ATOM 1191 CA VAL A 75 -3.537 9.946 7.636 1.00 0.00 C ATOM 1192 C VAL A 75 -2.990 8.782 6.817 1.00 0.00 C ATOM 1193 O VAL A 75 -3.498 8.473 5.739 1.00 0.00 O ATOM 1194 CB VAL A 75 -4.297 9.396 8.866 1.00 0.00 C ATOM 1195 CG1 VAL A 75 -4.733 10.529 9.782 1.00 0.00 C ATOM 1196 CG2 VAL A 75 -5.497 8.560 8.445 1.00 0.00 C ATOM 0 H VAL A 75 -5.192 10.366 6.417 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.710 10.559 7.995 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.613 8.750 9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.265 10.119 10.640 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.856 11.076 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.391 11.205 9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.010 8.188 9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.182 9.175 7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.160 7.718 7.841 1.00 0.00 H new ATOM 1206 N MET A 76 -1.948 8.152 7.329 1.00 0.00 N ATOM 1207 CA MET A 76 -1.314 7.038 6.640 1.00 0.00 C ATOM 1208 C MET A 76 -1.951 5.727 7.098 1.00 0.00 C ATOM 1209 O MET A 76 -2.043 5.458 8.294 1.00 0.00 O ATOM 1210 CB MET A 76 0.196 7.062 6.907 1.00 0.00 C ATOM 1211 CG MET A 76 1.010 6.131 6.025 1.00 0.00 C ATOM 1212 SD MET A 76 1.145 4.467 6.698 1.00 0.00 S ATOM 1213 CE MET A 76 2.065 4.785 8.202 1.00 0.00 C ATOM 0 H MET A 76 -1.520 8.393 8.223 1.00 0.00 H new ATOM 0 HA MET A 76 -1.464 7.125 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.560 8.080 6.770 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.371 6.798 7.950 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.552 6.082 5.037 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.009 6.546 5.892 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.019 4.260 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.244 5.856 8.300 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.492 4.433 9.060 1.00 0.00 H new ATOM 1223 N LEU A 77 -2.406 4.931 6.139 1.00 0.00 N ATOM 1224 CA LEU A 77 -3.230 3.760 6.434 1.00 0.00 C ATOM 1225 C LEU A 77 -2.407 2.477 6.503 1.00 0.00 C ATOM 1226 O LEU A 77 -2.877 1.452 7.006 1.00 0.00 O ATOM 1227 CB LEU A 77 -4.319 3.612 5.368 1.00 0.00 C ATOM 1228 CG LEU A 77 -5.212 4.840 5.173 1.00 0.00 C ATOM 1229 CD1 LEU A 77 -6.204 4.607 4.046 1.00 0.00 C ATOM 1230 CD2 LEU A 77 -5.941 5.186 6.462 1.00 0.00 C ATOM 0 H LEU A 77 -2.219 5.073 5.146 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.680 3.917 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.844 3.374 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.949 2.762 5.631 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.576 5.683 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.829 5.491 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.663 4.413 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.832 3.749 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.570 6.062 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.563 4.344 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.214 5.401 7.245 1.00 0.00 H new ATOM 1242 N GLY A 78 -1.189 2.528 5.996 1.00 0.00 N ATOM 1243 CA GLY A 78 -0.350 1.351 5.969 1.00 0.00 C ATOM 1244 C GLY A 78 0.581 1.361 4.784 1.00 0.00 C ATOM 1245 O GLY A 78 0.790 2.408 4.169 1.00 0.00 O ATOM 0 H GLY A 78 -0.764 3.367 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.232 1.297 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.975 0.459 5.934 1.00 0.00 H new ATOM 1249 N ASN A 79 1.123 0.203 4.445 1.00 0.00 N ATOM 1250 CA ASN A 79 2.058 0.102 3.336 1.00 0.00 C ATOM 1251 C ASN A 79 1.601 -0.935 2.327 1.00 0.00 C ATOM 1252 O ASN A 79 0.692 -1.724 2.583 1.00 0.00 O ATOM 1253 CB ASN A 79 3.469 -0.253 3.821 1.00 0.00 C ATOM 1254 CG ASN A 79 3.564 -1.632 4.454 1.00 0.00 C ATOM 1255 OD1 ASN A 79 3.772 -2.636 3.761 1.00 0.00 O ATOM 1256 ND2 ASN A 79 3.446 -1.689 5.771 1.00 0.00 N ATOM 0 H ASN A 79 0.932 -0.679 4.921 1.00 0.00 H new ATOM 0 HA ASN A 79 2.086 1.081 2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.158 -0.201 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.794 0.494 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.526 -2.585 6.252 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.275 -0.837 6.305 1.00 0.00 H new ATOM 1263 N PHE A 80 2.249 -0.929 1.181 1.00 0.00 N ATOM 1264 CA PHE A 80 1.976 -1.908 0.145 1.00 0.00 C ATOM 1265 C PHE A 80 3.287 -2.424 -0.420 1.00 0.00 C ATOM 1266 O PHE A 80 4.309 -1.741 -0.352 1.00 0.00 O ATOM 1267 CB PHE A 80 1.100 -1.317 -0.973 1.00 0.00 C ATOM 1268 CG PHE A 80 1.818 -0.401 -1.931 1.00 0.00 C ATOM 1269 CD1 PHE A 80 2.412 -0.906 -3.080 1.00 0.00 C ATOM 1270 CD2 PHE A 80 1.887 0.961 -1.691 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.062 -0.071 -3.967 1.00 0.00 C ATOM 1272 CE2 PHE A 80 2.539 1.801 -2.574 1.00 0.00 C ATOM 1273 CZ PHE A 80 3.125 1.285 -3.713 1.00 0.00 C ATOM 0 H PHE A 80 2.974 -0.253 0.941 1.00 0.00 H new ATOM 0 HA PHE A 80 1.421 -2.735 0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.659 -2.137 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.277 -0.767 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.365 -1.966 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.426 1.371 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.520 -0.477 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.590 2.861 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.632 1.941 -4.405 1.00 0.00 H new ATOM 1283 N HIS A 81 3.260 -3.634 -0.949 1.00 0.00 N ATOM 1284 CA HIS A 81 4.427 -4.221 -1.583 1.00 0.00 C ATOM 1285 C HIS A 81 4.007 -5.333 -2.532 1.00 0.00 C ATOM 1286 O HIS A 81 3.062 -6.077 -2.259 1.00 0.00 O ATOM 1287 CB HIS A 81 5.441 -4.726 -0.541 1.00 0.00 C ATOM 1288 CG HIS A 81 4.895 -5.686 0.481 1.00 0.00 C ATOM 1289 ND1 HIS A 81 4.454 -5.291 1.729 1.00 0.00 N ATOM 1290 CD2 HIS A 81 4.766 -7.033 0.453 1.00 0.00 C ATOM 1291 CE1 HIS A 81 4.081 -6.355 2.418 1.00 0.00 C ATOM 1292 NE2 HIS A 81 4.259 -7.426 1.670 1.00 0.00 N ATOM 0 H HIS A 81 2.435 -4.234 -0.952 1.00 0.00 H new ATOM 0 HA HIS A 81 4.926 -3.445 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.264 -5.211 -1.066 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.859 -3.865 -0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.016 -7.681 -0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.694 -6.348 3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.055 -8.386 1.947 1.00 0.00 H new ATOM 1301 N SER A 82 4.701 -5.438 -3.647 1.00 0.00 N ATOM 1302 CA SER A 82 4.342 -6.391 -4.676 1.00 0.00 C ATOM 1303 C SER A 82 5.412 -7.467 -4.814 1.00 0.00 C ATOM 1304 O SER A 82 6.584 -7.220 -4.550 1.00 0.00 O ATOM 1305 CB SER A 82 4.148 -5.660 -6.006 1.00 0.00 C ATOM 1306 OG SER A 82 5.268 -4.844 -6.306 1.00 0.00 O ATOM 0 H SER A 82 5.521 -4.872 -3.864 1.00 0.00 H new ATOM 0 HA SER A 82 3.409 -6.878 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.998 -6.386 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.248 -5.046 -5.960 1.00 0.00 H new ATOM 0 HG SER A 82 5.121 -4.389 -7.161 1.00 0.00 H new ATOM 1312 N HIS A 83 4.994 -8.662 -5.203 1.00 0.00 N ATOM 1313 CA HIS A 83 5.922 -9.765 -5.416 1.00 0.00 C ATOM 1314 C HIS A 83 6.077 -10.030 -6.906 1.00 0.00 C ATOM 1315 O HIS A 83 5.104 -9.944 -7.654 1.00 0.00 O ATOM 1316 CB HIS A 83 5.426 -11.030 -4.712 1.00 0.00 C ATOM 1317 CG HIS A 83 5.611 -11.017 -3.226 1.00 0.00 C ATOM 1318 ND1 HIS A 83 5.720 -12.167 -2.478 1.00 0.00 N ATOM 1319 CD2 HIS A 83 5.693 -9.991 -2.349 1.00 0.00 C ATOM 1320 CE1 HIS A 83 5.857 -11.849 -1.206 1.00 0.00 C ATOM 1321 NE2 HIS A 83 5.844 -10.535 -1.098 1.00 0.00 N ATOM 0 H HIS A 83 4.016 -8.894 -5.378 1.00 0.00 H new ATOM 0 HA HIS A 83 6.889 -9.490 -4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.367 -11.165 -4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.951 -11.892 -5.125 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.648 -8.939 -2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.962 -12.548 -0.389 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.932 -10.009 -0.228 1.00 0.00 H new ATOM 1330 N PRO A 84 7.292 -10.371 -7.355 1.00 0.00 N ATOM 1331 CA PRO A 84 7.587 -10.535 -8.777 1.00 0.00 C ATOM 1332 C PRO A 84 7.229 -11.912 -9.346 1.00 0.00 C ATOM 1333 O PRO A 84 6.814 -12.015 -10.496 1.00 0.00 O ATOM 1334 CB PRO A 84 9.096 -10.307 -8.835 1.00 0.00 C ATOM 1335 CG PRO A 84 9.609 -10.761 -7.508 1.00 0.00 C ATOM 1336 CD PRO A 84 8.489 -10.575 -6.515 1.00 0.00 C ATOM 0 HA PRO A 84 6.993 -9.850 -9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.549 -10.874 -9.648 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.330 -9.257 -9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.917 -11.806 -7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.485 -10.182 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.379 -11.447 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.671 -9.719 -5.865 1.00 0.00 H new ATOM 1344 N ALA A 85 7.385 -12.968 -8.557 1.00 0.00 N ATOM 1345 CA ALA A 85 7.218 -14.321 -9.084 1.00 0.00 C ATOM 1346 C ALA A 85 6.461 -15.230 -8.120 1.00 0.00 C ATOM 1347 O ALA A 85 6.618 -16.450 -8.151 1.00 0.00 O ATOM 1348 CB ALA A 85 8.584 -14.911 -9.395 1.00 0.00 C ATOM 0 H ALA A 85 7.623 -12.919 -7.566 1.00 0.00 H new ATOM 0 HA ALA A 85 6.621 -14.254 -9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.463 -15.920 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.088 -14.291 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.181 -14.946 -8.484 1.00 0.00 H new ATOM 1354 N THR A 86 5.615 -14.641 -7.293 1.00 0.00 N ATOM 1355 CA THR A 86 4.893 -15.400 -6.277 1.00 0.00 C ATOM 1356 C THR A 86 3.452 -14.907 -6.142 1.00 0.00 C ATOM 1357 O THR A 86 3.147 -13.761 -6.489 1.00 0.00 O ATOM 1358 CB THR A 86 5.608 -15.333 -4.905 1.00 0.00 C ATOM 1359 OG1 THR A 86 6.096 -14.006 -4.658 1.00 0.00 O ATOM 1360 CG2 THR A 86 6.761 -16.325 -4.836 1.00 0.00 C ATOM 0 H THR A 86 5.409 -13.642 -7.302 1.00 0.00 H new ATOM 0 HA THR A 86 4.877 -16.440 -6.603 1.00 0.00 H new ATOM 0 HB THR A 86 4.879 -15.596 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.753 -13.686 -3.798 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.244 -16.255 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.380 -17.336 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.486 -16.095 -5.617 1.00 0.00 H new ATOM 1368 N PRO A 87 2.545 -15.777 -5.651 1.00 0.00 N ATOM 1369 CA PRO A 87 1.117 -15.456 -5.499 1.00 0.00 C ATOM 1370 C PRO A 87 0.867 -14.295 -4.537 1.00 0.00 C ATOM 1371 O PRO A 87 1.766 -13.865 -3.806 1.00 0.00 O ATOM 1372 CB PRO A 87 0.509 -16.749 -4.936 1.00 0.00 C ATOM 1373 CG PRO A 87 1.497 -17.814 -5.264 1.00 0.00 C ATOM 1374 CD PRO A 87 2.840 -17.150 -5.213 1.00 0.00 C ATOM 0 HA PRO A 87 0.681 -15.137 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.351 -16.675 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.461 -16.958 -5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.439 -18.635 -4.550 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.306 -18.235 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.263 -17.171 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.558 -17.639 -5.872 1.00 0.00 H new ATOM 1382 N ALA A 88 -0.367 -13.805 -4.530 1.00 0.00 N ATOM 1383 CA ALA A 88 -0.732 -12.656 -3.711 1.00 0.00 C ATOM 1384 C ALA A 88 -1.076 -13.076 -2.283 1.00 0.00 C ATOM 1385 O ALA A 88 -2.230 -13.000 -1.860 1.00 0.00 O ATOM 1386 CB ALA A 88 -1.894 -11.898 -4.341 1.00 0.00 C ATOM 0 H ALA A 88 -1.134 -14.187 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 88 0.132 -11.993 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.153 -11.044 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.606 -11.548 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.756 -12.559 -4.426 1.00 0.00 H new ATOM 1392 N ARG A 89 -0.070 -13.546 -1.566 1.00 0.00 N ATOM 1393 CA ARG A 89 -0.197 -13.881 -0.156 1.00 0.00 C ATOM 1394 C ARG A 89 1.175 -13.821 0.501 1.00 0.00 C ATOM 1395 O ARG A 89 2.181 -14.095 -0.150 1.00 0.00 O ATOM 1396 CB ARG A 89 -0.827 -15.266 0.044 1.00 0.00 C ATOM 1397 CG ARG A 89 -2.323 -15.219 0.319 1.00 0.00 C ATOM 1398 CD ARG A 89 -2.883 -16.590 0.656 1.00 0.00 C ATOM 1399 NE ARG A 89 -4.264 -16.513 1.133 1.00 0.00 N ATOM 1400 CZ ARG A 89 -4.985 -17.560 1.532 1.00 0.00 C ATOM 1401 NH1 ARG A 89 -4.481 -18.790 1.486 1.00 0.00 N ATOM 1402 NH2 ARG A 89 -6.218 -17.370 1.979 1.00 0.00 N ATOM 0 H ARG A 89 0.863 -13.707 -1.946 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.861 -13.154 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.648 -15.870 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.329 -15.767 0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.519 -14.535 1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.840 -14.821 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.839 -17.227 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.261 -17.059 1.419 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.705 -15.594 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.532 -18.940 1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.043 -19.583 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.608 -16.428 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.777 -18.166 2.287 1.00 0.00 H new ATOM 1416 N PRO A 90 1.230 -13.444 1.788 1.00 0.00 N ATOM 1417 CA PRO A 90 2.494 -13.291 2.521 1.00 0.00 C ATOM 1418 C PRO A 90 3.340 -14.562 2.525 1.00 0.00 C ATOM 1419 O PRO A 90 2.920 -15.612 3.018 1.00 0.00 O ATOM 1420 CB PRO A 90 2.052 -12.934 3.950 1.00 0.00 C ATOM 1421 CG PRO A 90 0.611 -13.312 4.022 1.00 0.00 C ATOM 1422 CD PRO A 90 0.070 -13.134 2.635 1.00 0.00 C ATOM 0 HA PRO A 90 3.130 -12.537 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.639 -13.478 4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.191 -11.872 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.494 -14.342 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 90 0.077 -12.682 4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -0.765 -13.806 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -0.291 -12.119 2.469 1.00 0.00 H new ATOM 1430 N SER A 91 4.527 -14.462 1.944 1.00 0.00 N ATOM 1431 CA SER A 91 5.485 -15.555 1.955 1.00 0.00 C ATOM 1432 C SER A 91 6.178 -15.621 3.316 1.00 0.00 C ATOM 1433 O SER A 91 5.976 -14.747 4.158 1.00 0.00 O ATOM 1434 CB SER A 91 6.518 -15.346 0.846 1.00 0.00 C ATOM 1435 OG SER A 91 5.889 -15.074 -0.396 1.00 0.00 O ATOM 0 H SER A 91 4.850 -13.627 1.455 1.00 0.00 H new ATOM 0 HA SER A 91 4.963 -16.496 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.178 -14.520 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.142 -16.235 0.754 1.00 0.00 H new ATOM 0 HG SER A 91 6.572 -14.943 -1.087 1.00 0.00 H new ATOM 1441 N ALA A 92 7.003 -16.642 3.531 1.00 0.00 N ATOM 1442 CA ALA A 92 7.715 -16.790 4.798 1.00 0.00 C ATOM 1443 C ALA A 92 8.602 -15.577 5.069 1.00 0.00 C ATOM 1444 O ALA A 92 8.638 -15.050 6.182 1.00 0.00 O ATOM 1445 CB ALA A 92 8.544 -18.066 4.794 1.00 0.00 C ATOM 0 H ALA A 92 7.195 -17.376 2.849 1.00 0.00 H new ATOM 0 HA ALA A 92 6.978 -16.856 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.069 -18.162 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.888 -18.925 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.270 -18.026 3.982 1.00 0.00 H new ATOM 1451 N GLU A 93 9.297 -15.127 4.034 1.00 0.00 N ATOM 1452 CA GLU A 93 10.178 -13.970 4.139 1.00 0.00 C ATOM 1453 C GLU A 93 9.364 -12.689 4.319 1.00 0.00 C ATOM 1454 O GLU A 93 9.763 -11.789 5.053 1.00 0.00 O ATOM 1455 CB GLU A 93 11.042 -13.867 2.885 1.00 0.00 C ATOM 1456 CG GLU A 93 11.745 -15.167 2.528 1.00 0.00 C ATOM 1457 CD GLU A 93 12.452 -15.096 1.190 1.00 0.00 C ATOM 1458 OE1 GLU A 93 11.769 -14.867 0.166 1.00 0.00 O ATOM 1459 OE2 GLU A 93 13.685 -15.271 1.150 1.00 0.00 O ATOM 0 H GLU A 93 9.268 -15.548 3.105 1.00 0.00 H new ATOM 0 HA GLU A 93 10.820 -14.096 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.417 -13.558 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.789 -13.087 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.469 -15.410 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.016 -15.977 2.507 1.00 0.00 H new ATOM 1466 N ASP A 94 8.212 -12.632 3.653 1.00 0.00 N ATOM 1467 CA ASP A 94 7.334 -11.459 3.704 1.00 0.00 C ATOM 1468 C ASP A 94 6.726 -11.320 5.098 1.00 0.00 C ATOM 1469 O ASP A 94 6.533 -10.216 5.607 1.00 0.00 O ATOM 1470 CB ASP A 94 6.224 -11.600 2.654 1.00 0.00 C ATOM 1471 CG ASP A 94 5.615 -10.273 2.238 1.00 0.00 C ATOM 1472 OD1 ASP A 94 6.181 -9.619 1.339 1.00 0.00 O ATOM 1473 OD2 ASP A 94 4.554 -9.892 2.772 1.00 0.00 O ATOM 0 H ASP A 94 7.861 -13.389 3.067 1.00 0.00 H new ATOM 0 HA ASP A 94 7.918 -10.564 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.629 -12.098 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.439 -12.243 3.051 1.00 0.00 H new ATOM 1478 N LYS A 95 6.457 -12.467 5.713 1.00 0.00 N ATOM 1479 CA LYS A 95 5.923 -12.543 7.070 1.00 0.00 C ATOM 1480 C LYS A 95 6.845 -11.837 8.069 1.00 0.00 C ATOM 1481 O LYS A 95 6.390 -11.269 9.062 1.00 0.00 O ATOM 1482 CB LYS A 95 5.763 -14.015 7.468 1.00 0.00 C ATOM 1483 CG LYS A 95 5.230 -14.228 8.877 1.00 0.00 C ATOM 1484 CD LYS A 95 5.442 -15.660 9.343 1.00 0.00 C ATOM 1485 CE LYS A 95 6.924 -15.988 9.456 1.00 0.00 C ATOM 1486 NZ LYS A 95 7.164 -17.357 9.980 1.00 0.00 N ATOM 0 H LYS A 95 6.605 -13.379 5.280 1.00 0.00 H new ATOM 0 HA LYS A 95 4.955 -12.042 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.090 -14.500 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.730 -14.511 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.729 -13.543 9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.167 -13.989 8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.960 -15.806 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.967 -16.347 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.390 -15.890 8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.405 -15.262 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.188 -17.532 10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.743 -17.445 10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.729 -18.054 9.342 1.00 0.00 H new ATOM 1500 N ARG A 96 8.143 -11.881 7.797 1.00 0.00 N ATOM 1501 CA ARG A 96 9.132 -11.294 8.693 1.00 0.00 C ATOM 1502 C ARG A 96 9.140 -9.771 8.574 1.00 0.00 C ATOM 1503 O ARG A 96 9.649 -9.076 9.452 1.00 0.00 O ATOM 1504 CB ARG A 96 10.532 -11.846 8.405 1.00 0.00 C ATOM 1505 CG ARG A 96 10.634 -13.363 8.487 1.00 0.00 C ATOM 1506 CD ARG A 96 10.123 -13.904 9.816 1.00 0.00 C ATOM 1507 NE ARG A 96 10.880 -13.409 10.963 1.00 0.00 N ATOM 1508 CZ ARG A 96 10.711 -13.849 12.212 1.00 0.00 C ATOM 1509 NH1 ARG A 96 9.842 -14.818 12.479 1.00 0.00 N ATOM 1510 NH2 ARG A 96 11.414 -13.326 13.204 1.00 0.00 N ATOM 0 H ARG A 96 8.536 -12.317 6.963 1.00 0.00 H new ATOM 0 HA ARG A 96 8.854 -11.565 9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.839 -11.526 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.236 -11.407 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.063 -13.808 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.673 -13.663 8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.075 -13.630 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.168 -14.993 9.800 1.00 0.00 H new ATOM 0 HE ARG A 96 11.579 -12.684 10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.295 -15.234 11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.722 -15.146 13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.088 -12.584 13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.282 -13.665 14.157 1.00 0.00 H new ATOM 1524 N LEU A 97 8.571 -9.262 7.489 1.00 0.00 N ATOM 1525 CA LEU A 97 8.580 -7.833 7.205 1.00 0.00 C ATOM 1526 C LEU A 97 7.403 -7.119 7.872 1.00 0.00 C ATOM 1527 O LEU A 97 7.139 -5.951 7.595 1.00 0.00 O ATOM 1528 CB LEU A 97 8.536 -7.613 5.692 1.00 0.00 C ATOM 1529 CG LEU A 97 9.703 -8.221 4.913 1.00 0.00 C ATOM 1530 CD1 LEU A 97 9.514 -8.011 3.419 1.00 0.00 C ATOM 1531 CD2 LEU A 97 11.023 -7.623 5.373 1.00 0.00 C ATOM 0 H LEU A 97 8.093 -9.824 6.785 1.00 0.00 H new ATOM 0 HA LEU A 97 9.498 -7.411 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.606 -8.031 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.509 -6.541 5.497 1.00 0.00 H new ATOM 0 HG LEU A 97 9.725 -9.293 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.354 -8.450 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.588 -8.489 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.464 -6.943 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.841 -8.068 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.012 -6.546 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.164 -7.826 6.435 1.00 0.00 H new ATOM 1543 N ALA A 98 6.708 -7.821 8.758 1.00 0.00 N ATOM 1544 CA ALA A 98 5.576 -7.247 9.469 1.00 0.00 C ATOM 1545 C ALA A 98 6.048 -6.432 10.667 1.00 0.00 C ATOM 1546 O ALA A 98 6.295 -6.972 11.747 1.00 0.00 O ATOM 1547 CB ALA A 98 4.615 -8.338 9.913 1.00 0.00 C ATOM 0 H ALA A 98 6.910 -8.791 9.001 1.00 0.00 H new ATOM 0 HA ALA A 98 5.049 -6.579 8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.775 -7.889 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.247 -8.876 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.133 -9.032 10.575 1.00 0.00 H new ATOM 1553 N PHE A 99 6.205 -5.133 10.459 1.00 0.00 N ATOM 1554 CA PHE A 99 6.636 -4.234 11.523 1.00 0.00 C ATOM 1555 C PHE A 99 5.481 -3.348 11.982 1.00 0.00 C ATOM 1556 O PHE A 99 5.572 -2.673 13.012 1.00 0.00 O ATOM 1557 CB PHE A 99 7.794 -3.353 11.043 1.00 0.00 C ATOM 1558 CG PHE A 99 8.954 -4.122 10.474 1.00 0.00 C ATOM 1559 CD1 PHE A 99 9.748 -4.915 11.287 1.00 0.00 C ATOM 1560 CD2 PHE A 99 9.253 -4.044 9.123 1.00 0.00 C ATOM 1561 CE1 PHE A 99 10.817 -5.617 10.760 1.00 0.00 C ATOM 1562 CE2 PHE A 99 10.319 -4.742 8.592 1.00 0.00 C ATOM 1563 CZ PHE A 99 11.103 -5.530 9.411 1.00 0.00 C ATOM 0 H PHE A 99 6.040 -4.676 9.562 1.00 0.00 H new ATOM 0 HA PHE A 99 6.971 -4.843 12.362 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.422 -2.663 10.285 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.147 -2.748 11.878 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.530 -4.986 12.342 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.644 -3.429 8.477 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.428 -6.233 11.403 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.540 -4.672 7.537 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.938 -6.077 8.998 1.00 0.00 H new ATOM 1573 N ASP A 100 4.395 -3.368 11.226 1.00 0.00 N ATOM 1574 CA ASP A 100 3.265 -2.479 11.477 1.00 0.00 C ATOM 1575 C ASP A 100 2.385 -3.039 12.587 1.00 0.00 C ATOM 1576 O ASP A 100 2.204 -4.252 12.689 1.00 0.00 O ATOM 1577 CB ASP A 100 2.431 -2.298 10.200 1.00 0.00 C ATOM 1578 CG ASP A 100 3.243 -1.784 9.024 1.00 0.00 C ATOM 1579 OD1 ASP A 100 4.151 -2.510 8.561 1.00 0.00 O ATOM 1580 OD2 ASP A 100 2.954 -0.673 8.539 1.00 0.00 O ATOM 0 H ASP A 100 4.269 -3.992 10.429 1.00 0.00 H new ATOM 0 HA ASP A 100 3.656 -1.510 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 100 1.978 -3.252 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.615 -1.603 10.402 1.00 0.00 H new ATOM 1585 N PRO A 101 1.826 -2.167 13.443 1.00 0.00 N ATOM 1586 CA PRO A 101 0.970 -2.588 14.547 1.00 0.00 C ATOM 1587 C PRO A 101 -0.478 -2.829 14.117 1.00 0.00 C ATOM 1588 O PRO A 101 -1.018 -3.921 14.302 1.00 0.00 O ATOM 1589 CB PRO A 101 1.041 -1.409 15.534 1.00 0.00 C ATOM 1590 CG PRO A 101 1.921 -0.375 14.898 1.00 0.00 C ATOM 1591 CD PRO A 101 2.012 -0.715 13.438 1.00 0.00 C ATOM 0 HA PRO A 101 1.302 -3.537 14.967 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.047 -1.006 15.729 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.449 -1.729 16.493 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.506 0.623 15.036 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.910 -0.375 15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.243 -0.209 12.854 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.975 -0.430 13.013 1.00 0.00 H new ATOM 1599 N SER A 102 -1.098 -1.817 13.527 1.00 0.00 N ATOM 1600 CA SER A 102 -2.503 -1.897 13.154 1.00 0.00 C ATOM 1601 C SER A 102 -2.725 -1.342 11.749 1.00 0.00 C ATOM 1602 O SER A 102 -3.849 -1.018 11.363 1.00 0.00 O ATOM 1603 CB SER A 102 -3.352 -1.129 14.175 1.00 0.00 C ATOM 1604 OG SER A 102 -4.737 -1.286 13.921 1.00 0.00 O ATOM 0 H SER A 102 -0.650 -0.930 13.296 1.00 0.00 H new ATOM 0 HA SER A 102 -2.806 -2.944 13.152 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.123 -1.483 15.180 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.093 -0.071 14.143 1.00 0.00 H new ATOM 0 HG SER A 102 -4.899 -1.245 12.955 1.00 0.00 H new ATOM 1610 N LEU A 103 -1.653 -1.259 10.978 1.00 0.00 N ATOM 1611 CA LEU A 103 -1.729 -0.710 9.633 1.00 0.00 C ATOM 1612 C LEU A 103 -2.087 -1.806 8.631 1.00 0.00 C ATOM 1613 O LEU A 103 -1.896 -2.992 8.902 1.00 0.00 O ATOM 1614 CB LEU A 103 -0.405 -0.038 9.268 1.00 0.00 C ATOM 1615 CG LEU A 103 -0.005 1.127 10.181 1.00 0.00 C ATOM 1616 CD1 LEU A 103 1.360 1.667 9.796 1.00 0.00 C ATOM 1617 CD2 LEU A 103 -1.048 2.234 10.122 1.00 0.00 C ATOM 0 H LEU A 103 -0.721 -1.564 11.259 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.516 0.044 9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.386 -0.788 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.469 0.327 8.243 1.00 0.00 H new ATOM 0 HG LEU A 103 0.049 0.755 11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.624 2.493 10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.104 0.876 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.334 2.021 8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.747 3.052 10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.133 2.600 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.012 1.844 10.449 1.00 0.00 H new ATOM 1629 N SER A 104 -2.620 -1.410 7.486 1.00 0.00 N ATOM 1630 CA SER A 104 -3.090 -2.367 6.497 1.00 0.00 C ATOM 1631 C SER A 104 -2.038 -2.599 5.416 1.00 0.00 C ATOM 1632 O SER A 104 -1.464 -1.650 4.884 1.00 0.00 O ATOM 1633 CB SER A 104 -4.394 -1.866 5.874 1.00 0.00 C ATOM 1634 OG SER A 104 -5.334 -1.536 6.885 1.00 0.00 O ATOM 0 H SER A 104 -2.738 -0.433 7.219 1.00 0.00 H new ATOM 0 HA SER A 104 -3.273 -3.319 6.995 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.195 -0.991 5.255 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.809 -2.632 5.220 1.00 0.00 H new ATOM 0 HG SER A 104 -5.575 -0.589 6.811 1.00 0.00 H new ATOM 1640 N TYR A 105 -1.782 -3.866 5.110 1.00 0.00 N ATOM 1641 CA TYR A 105 -0.830 -4.229 4.067 1.00 0.00 C ATOM 1642 C TYR A 105 -1.552 -4.491 2.753 1.00 0.00 C ATOM 1643 O TYR A 105 -2.581 -5.165 2.728 1.00 0.00 O ATOM 1644 CB TYR A 105 -0.051 -5.493 4.445 1.00 0.00 C ATOM 1645 CG TYR A 105 0.886 -5.342 5.621 1.00 0.00 C ATOM 1646 CD1 TYR A 105 0.425 -5.465 6.925 1.00 0.00 C ATOM 1647 CD2 TYR A 105 2.234 -5.101 5.421 1.00 0.00 C ATOM 1648 CE1 TYR A 105 1.288 -5.346 7.998 1.00 0.00 C ATOM 1649 CE2 TYR A 105 3.102 -4.983 6.485 1.00 0.00 C ATOM 1650 CZ TYR A 105 2.625 -5.107 7.769 1.00 0.00 C ATOM 1651 OH TYR A 105 3.492 -4.981 8.828 1.00 0.00 O ATOM 0 H TYR A 105 -2.223 -4.662 5.572 1.00 0.00 H new ATOM 0 HA TYR A 105 -0.139 -3.393 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -0.764 -6.287 4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 105 0.527 -5.817 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -0.623 -5.656 7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 105 2.612 -5.004 4.414 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.917 -5.440 9.008 1.00 0.00 H new ATOM 0 HE2 TYR A 105 4.151 -4.794 6.311 1.00 0.00 H new ATOM 0 HH TYR A 105 4.102 -4.232 8.664 1.00 0.00 H new ATOM 1661 N LEU A 106 -1.022 -3.948 1.670 1.00 0.00 N ATOM 1662 CA LEU A 106 -1.499 -4.292 0.336 1.00 0.00 C ATOM 1663 C LEU A 106 -0.449 -5.121 -0.388 1.00 0.00 C ATOM 1664 O LEU A 106 0.696 -4.694 -0.549 1.00 0.00 O ATOM 1665 CB LEU A 106 -1.842 -3.040 -0.479 1.00 0.00 C ATOM 1666 CG LEU A 106 -3.305 -2.588 -0.412 1.00 0.00 C ATOM 1667 CD1 LEU A 106 -3.718 -2.275 1.017 1.00 0.00 C ATOM 1668 CD2 LEU A 106 -3.525 -1.379 -1.309 1.00 0.00 C ATOM 0 H LEU A 106 -0.262 -3.268 1.685 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.413 -4.877 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.211 -2.220 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.585 -3.225 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.930 -3.407 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.760 -1.957 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.601 -3.167 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.089 -1.477 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.568 -1.069 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.884 -0.561 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.280 -1.640 -2.338 1.00 0.00 H new ATOM 1680 N ILE A 107 -0.832 -6.314 -0.804 1.00 0.00 N ATOM 1681 CA ILE A 107 0.080 -7.207 -1.496 1.00 0.00 C ATOM 1682 C ILE A 107 -0.364 -7.402 -2.936 1.00 0.00 C ATOM 1683 O ILE A 107 -1.494 -7.821 -3.198 1.00 0.00 O ATOM 1684 CB ILE A 107 0.187 -8.578 -0.788 1.00 0.00 C ATOM 1685 CG1 ILE A 107 0.696 -8.390 0.647 1.00 0.00 C ATOM 1686 CG2 ILE A 107 1.108 -9.511 -1.565 1.00 0.00 C ATOM 1687 CD1 ILE A 107 0.815 -9.681 1.433 1.00 0.00 C ATOM 0 H ILE A 107 -1.772 -6.688 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 107 1.067 -6.744 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.804 -9.031 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.672 -7.905 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.022 -7.716 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.171 -10.471 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.711 -9.662 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.102 -9.069 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.181 -9.464 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.163 -10.158 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 107 1.513 -10.350 0.930 1.00 0.00 H new ATOM 1699 N ILE A 108 0.521 -7.067 -3.863 1.00 0.00 N ATOM 1700 CA ILE A 108 0.231 -7.204 -5.280 1.00 0.00 C ATOM 1701 C ILE A 108 1.062 -8.334 -5.878 1.00 0.00 C ATOM 1702 O ILE A 108 2.263 -8.431 -5.626 1.00 0.00 O ATOM 1703 CB ILE A 108 0.534 -5.896 -6.045 1.00 0.00 C ATOM 1704 CG1 ILE A 108 -0.144 -4.703 -5.362 1.00 0.00 C ATOM 1705 CG2 ILE A 108 0.079 -6.005 -7.497 1.00 0.00 C ATOM 1706 CD1 ILE A 108 0.191 -3.365 -5.992 1.00 0.00 C ATOM 0 H ILE A 108 1.449 -6.697 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.831 -7.429 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 108 1.612 -5.735 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.224 -4.847 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.148 -4.683 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.301 -5.074 -8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.605 -6.827 -7.982 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.994 -6.192 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.326 -2.570 -5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.267 -3.198 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.127 -3.364 -7.035 1.00 0.00 H new ATOM 1718 N SER A 109 0.424 -9.192 -6.651 1.00 0.00 N ATOM 1719 CA SER A 109 1.127 -10.274 -7.315 1.00 0.00 C ATOM 1720 C SER A 109 1.403 -9.909 -8.768 1.00 0.00 C ATOM 1721 O SER A 109 0.476 -9.677 -9.543 1.00 0.00 O ATOM 1722 CB SER A 109 0.315 -11.570 -7.239 1.00 0.00 C ATOM 1723 OG SER A 109 1.020 -12.652 -7.826 1.00 0.00 O ATOM 0 H SER A 109 -0.579 -9.161 -6.835 1.00 0.00 H new ATOM 0 HA SER A 109 2.078 -10.432 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.090 -11.801 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.639 -11.435 -7.749 1.00 0.00 H new ATOM 0 HG SER A 109 1.736 -12.941 -7.223 1.00 0.00 H new ATOM 1729 N LEU A 110 2.681 -9.851 -9.123 1.00 0.00 N ATOM 1730 CA LEU A 110 3.080 -9.571 -10.493 1.00 0.00 C ATOM 1731 C LEU A 110 3.343 -10.873 -11.239 1.00 0.00 C ATOM 1732 O LEU A 110 4.112 -10.909 -12.200 1.00 0.00 O ATOM 1733 CB LEU A 110 4.331 -8.682 -10.512 1.00 0.00 C ATOM 1734 CG LEU A 110 4.171 -7.343 -11.243 1.00 0.00 C ATOM 1735 CD1 LEU A 110 3.808 -7.563 -12.705 1.00 0.00 C ATOM 1736 CD2 LEU A 110 3.123 -6.478 -10.556 1.00 0.00 C ATOM 0 H LEU A 110 3.458 -9.995 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 110 2.270 -9.040 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.631 -8.482 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.145 -9.237 -10.979 1.00 0.00 H new ATOM 0 HG LEU A 110 5.127 -6.821 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.700 -6.599 -13.202 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.596 -8.137 -13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.868 -8.111 -12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.025 -5.533 -11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.165 -6.997 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.429 -6.284 -9.528 1.00 0.00 H new ATOM 1748 N ALA A 111 2.689 -11.943 -10.790 1.00 0.00 N ATOM 1749 CA ALA A 111 2.797 -13.239 -11.447 1.00 0.00 C ATOM 1750 C ALA A 111 2.296 -13.141 -12.886 1.00 0.00 C ATOM 1751 O ALA A 111 2.790 -13.825 -13.784 1.00 0.00 O ATOM 1752 CB ALA A 111 2.006 -14.292 -10.684 1.00 0.00 C ATOM 0 H ALA A 111 2.079 -11.935 -9.973 1.00 0.00 H new ATOM 0 HA ALA A 111 3.845 -13.537 -11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.098 -15.253 -11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.396 -14.376 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 111 0.956 -14.002 -10.646 1.00 0.00 H new ATOM 1758 N GLU A 112 1.307 -12.277 -13.090 1.00 0.00 N ATOM 1759 CA GLU A 112 0.776 -12.007 -14.417 1.00 0.00 C ATOM 1760 C GLU A 112 0.654 -10.494 -14.599 1.00 0.00 C ATOM 1761 O GLU A 112 0.244 -9.794 -13.673 1.00 0.00 O ATOM 1762 CB GLU A 112 -0.605 -12.663 -14.547 1.00 0.00 C ATOM 1763 CG GLU A 112 -1.161 -12.690 -15.962 1.00 0.00 C ATOM 1764 CD GLU A 112 -0.513 -13.755 -16.824 1.00 0.00 C ATOM 1765 OE1 GLU A 112 -1.023 -14.893 -16.841 1.00 0.00 O ATOM 1766 OE2 GLU A 112 0.501 -13.462 -17.485 1.00 0.00 O ATOM 0 H GLU A 112 0.855 -11.748 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 112 1.439 -12.413 -15.181 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.544 -13.686 -14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.307 -12.132 -13.905 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.236 -12.865 -15.922 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.014 -11.714 -16.425 1.00 0.00 H new ATOM 1773 N PRO A 113 0.995 -9.961 -15.785 1.00 0.00 N ATOM 1774 CA PRO A 113 0.864 -8.536 -16.062 1.00 0.00 C ATOM 1775 C PRO A 113 -0.460 -8.176 -16.723 1.00 0.00 C ATOM 1776 O PRO A 113 -0.830 -7.005 -16.808 1.00 0.00 O ATOM 1777 CB PRO A 113 2.034 -8.286 -17.009 1.00 0.00 C ATOM 1778 CG PRO A 113 2.193 -9.566 -17.770 1.00 0.00 C ATOM 1779 CD PRO A 113 1.615 -10.673 -16.914 1.00 0.00 C ATOM 0 HA PRO A 113 0.877 -7.931 -15.156 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.829 -7.451 -17.679 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.942 -8.038 -16.459 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.675 -9.511 -18.728 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.244 -9.756 -17.986 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.882 -11.263 -17.465 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.389 -11.362 -16.575 1.00 0.00 H new ATOM 1787 N GLN A 114 -1.165 -9.188 -17.189 1.00 0.00 N ATOM 1788 CA GLN A 114 -2.452 -8.990 -17.836 1.00 0.00 C ATOM 1789 C GLN A 114 -3.525 -8.752 -16.783 1.00 0.00 C ATOM 1790 O GLN A 114 -4.485 -8.014 -17.006 1.00 0.00 O ATOM 1791 CB GLN A 114 -2.807 -10.212 -18.686 1.00 0.00 C ATOM 1792 CG GLN A 114 -1.703 -10.625 -19.641 1.00 0.00 C ATOM 1793 CD GLN A 114 -2.092 -11.813 -20.493 1.00 0.00 C ATOM 1794 OE1 GLN A 114 -1.893 -12.965 -20.109 1.00 0.00 O ATOM 1795 NE2 GLN A 114 -2.647 -11.543 -21.659 1.00 0.00 N ATOM 0 H GLN A 114 -0.868 -10.162 -17.132 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.394 -8.118 -18.487 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -3.038 -11.049 -18.027 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -3.710 -9.997 -19.258 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.452 -9.784 -20.288 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -0.806 -10.868 -19.072 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.795 -10.574 -21.941 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.928 -12.303 -22.278 1.00 0.00 H new ATOM 1804 N LYS A 115 -3.326 -9.368 -15.624 1.00 0.00 N ATOM 1805 CA LYS A 115 -4.258 -9.260 -14.511 1.00 0.00 C ATOM 1806 C LYS A 115 -3.525 -9.430 -13.185 1.00 0.00 C ATOM 1807 O LYS A 115 -3.510 -10.518 -12.609 1.00 0.00 O ATOM 1808 CB LYS A 115 -5.368 -10.311 -14.625 1.00 0.00 C ATOM 1809 CG LYS A 115 -6.542 -9.888 -15.496 1.00 0.00 C ATOM 1810 CD LYS A 115 -7.276 -8.699 -14.895 1.00 0.00 C ATOM 1811 CE LYS A 115 -8.460 -8.279 -15.750 1.00 0.00 C ATOM 1812 NZ LYS A 115 -9.170 -7.110 -15.171 1.00 0.00 N ATOM 0 H LYS A 115 -2.515 -9.955 -15.430 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.710 -8.269 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.943 -11.230 -15.029 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.737 -10.543 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.184 -9.631 -16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.232 -10.724 -15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.622 -8.954 -13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.587 -7.861 -14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.115 -8.034 -16.754 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.153 -9.114 -15.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.971 -6.853 -15.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.522 -7.352 -14.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.515 -6.305 -15.102 1.00 0.00 H new ATOM 1826 N PRO A 116 -2.873 -8.364 -12.703 1.00 0.00 N ATOM 1827 CA PRO A 116 -2.181 -8.392 -11.417 1.00 0.00 C ATOM 1828 C PRO A 116 -3.170 -8.408 -10.257 1.00 0.00 C ATOM 1829 O PRO A 116 -4.092 -7.590 -10.202 1.00 0.00 O ATOM 1830 CB PRO A 116 -1.361 -7.102 -11.423 1.00 0.00 C ATOM 1831 CG PRO A 116 -2.094 -6.182 -12.339 1.00 0.00 C ATOM 1832 CD PRO A 116 -2.754 -7.054 -13.372 1.00 0.00 C ATOM 0 HA PRO A 116 -1.568 -9.284 -11.288 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -1.282 -6.680 -10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -0.345 -7.282 -11.775 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -2.834 -5.598 -11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -1.411 -5.473 -12.807 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.729 -6.663 -13.662 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -2.155 -7.122 -14.280 1.00 0.00 H new ATOM 1840 N VAL A 117 -2.999 -9.345 -9.339 1.00 0.00 N ATOM 1841 CA VAL A 117 -3.912 -9.452 -8.217 1.00 0.00 C ATOM 1842 C VAL A 117 -3.444 -8.562 -7.076 1.00 0.00 C ATOM 1843 O VAL A 117 -2.324 -8.711 -6.583 1.00 0.00 O ATOM 1844 CB VAL A 117 -4.027 -10.908 -7.716 1.00 0.00 C ATOM 1845 CG1 VAL A 117 -5.052 -11.009 -6.588 1.00 0.00 C ATOM 1846 CG2 VAL A 117 -4.382 -11.848 -8.869 1.00 0.00 C ATOM 0 H VAL A 117 -2.246 -10.033 -9.349 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.895 -9.128 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.059 -11.214 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.119 -12.043 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.743 -10.374 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.026 -10.683 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.458 -12.869 -8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.336 -11.548 -9.303 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -3.605 -11.798 -9.632 1.00 0.00 H new ATOM 1856 N CYS A 118 -4.296 -7.634 -6.675 1.00 0.00 N ATOM 1857 CA CYS A 118 -4.005 -6.752 -5.557 1.00 0.00 C ATOM 1858 C CYS A 118 -4.996 -7.003 -4.426 1.00 0.00 C ATOM 1859 O CYS A 118 -6.202 -6.854 -4.610 1.00 0.00 O ATOM 1860 CB CYS A 118 -4.072 -5.288 -6.009 1.00 0.00 C ATOM 1861 SG CYS A 118 -3.566 -4.080 -4.758 1.00 0.00 S ATOM 0 H CYS A 118 -5.203 -7.471 -7.112 1.00 0.00 H new ATOM 0 HA CYS A 118 -2.998 -6.958 -5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.440 -5.165 -6.888 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.093 -5.064 -6.317 1.00 0.00 H new ATOM 0 HG CYS A 118 -2.711 -4.628 -3.946 1.00 0.00 H new ATOM 1867 N LYS A 119 -4.494 -7.404 -3.267 1.00 0.00 N ATOM 1868 CA LYS A 119 -5.352 -7.634 -2.112 1.00 0.00 C ATOM 1869 C LYS A 119 -4.764 -6.980 -0.876 1.00 0.00 C ATOM 1870 O LYS A 119 -3.599 -6.584 -0.865 1.00 0.00 O ATOM 1871 CB LYS A 119 -5.546 -9.124 -1.842 1.00 0.00 C ATOM 1872 CG LYS A 119 -6.255 -9.876 -2.953 1.00 0.00 C ATOM 1873 CD LYS A 119 -6.522 -11.313 -2.545 1.00 0.00 C ATOM 1874 CE LYS A 119 -7.212 -12.094 -3.648 1.00 0.00 C ATOM 1875 NZ LYS A 119 -7.493 -13.493 -3.234 1.00 0.00 N ATOM 0 H LYS A 119 -3.502 -7.576 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.322 -7.192 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.570 -9.581 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.114 -9.243 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.196 -9.380 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.647 -9.857 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.580 -11.799 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.141 -11.327 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.145 -11.599 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.585 -12.097 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.965 -13.997 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.600 -13.972 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.112 -13.490 -2.398 1.00 0.00 H new ATOM 1889 N SER A 120 -5.574 -6.871 0.161 1.00 0.00 N ATOM 1890 CA SER A 120 -5.126 -6.312 1.418 1.00 0.00 C ATOM 1891 C SER A 120 -5.107 -7.403 2.479 1.00 0.00 C ATOM 1892 O SER A 120 -6.013 -8.232 2.546 1.00 0.00 O ATOM 1893 CB SER A 120 -6.040 -5.165 1.854 1.00 0.00 C ATOM 1894 OG SER A 120 -5.474 -4.437 2.930 1.00 0.00 O ATOM 0 H SER A 120 -6.551 -7.165 0.154 1.00 0.00 H new ATOM 0 HA SER A 120 -4.119 -5.914 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.215 -4.496 1.011 1.00 0.00 H new ATOM 0 HB3 SER A 120 -7.010 -5.563 2.152 1.00 0.00 H new ATOM 0 HG SER A 120 -4.509 -4.602 2.965 1.00 0.00 H new ATOM 1900 N PHE A 121 -4.060 -7.418 3.282 1.00 0.00 N ATOM 1901 CA PHE A 121 -3.936 -8.385 4.355 1.00 0.00 C ATOM 1902 C PHE A 121 -3.474 -7.690 5.622 1.00 0.00 C ATOM 1903 O PHE A 121 -2.524 -6.906 5.599 1.00 0.00 O ATOM 1904 CB PHE A 121 -2.942 -9.496 3.990 1.00 0.00 C ATOM 1905 CG PHE A 121 -3.316 -10.278 2.763 1.00 0.00 C ATOM 1906 CD1 PHE A 121 -4.192 -11.348 2.847 1.00 0.00 C ATOM 1907 CD2 PHE A 121 -2.788 -9.945 1.526 1.00 0.00 C ATOM 1908 CE1 PHE A 121 -4.534 -12.071 1.721 1.00 0.00 C ATOM 1909 CE2 PHE A 121 -3.127 -10.664 0.396 1.00 0.00 C ATOM 1910 CZ PHE A 121 -4.001 -11.729 0.496 1.00 0.00 C ATOM 0 H PHE A 121 -3.278 -6.767 3.210 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.914 -8.838 4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -1.958 -9.052 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.856 -10.182 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.612 -11.620 3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -2.103 -9.114 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -5.218 -12.903 1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.710 -10.394 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.267 -12.294 -0.385 1.00 0.00 H new ATOM 1920 N LEU A 122 -4.157 -7.954 6.718 1.00 0.00 N ATOM 1921 CA LEU A 122 -3.712 -7.465 8.005 1.00 0.00 C ATOM 1922 C LEU A 122 -2.738 -8.468 8.589 1.00 0.00 C ATOM 1923 O LEU A 122 -3.135 -9.544 9.038 1.00 0.00 O ATOM 1924 CB LEU A 122 -4.898 -7.265 8.955 1.00 0.00 C ATOM 1925 CG LEU A 122 -5.951 -6.266 8.478 1.00 0.00 C ATOM 1926 CD1 LEU A 122 -7.103 -6.199 9.468 1.00 0.00 C ATOM 1927 CD2 LEU A 122 -5.332 -4.888 8.283 1.00 0.00 C ATOM 0 H LEU A 122 -5.017 -8.501 6.742 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.225 -6.499 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.381 -8.229 9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.517 -6.934 9.921 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.339 -6.605 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.845 -5.483 9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.562 -7.183 9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.728 -5.882 10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.097 -4.190 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.916 -4.539 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.539 -4.948 7.538 1.00 0.00 H new ATOM 1939 N ILE A 123 -1.464 -8.125 8.571 1.00 0.00 N ATOM 1940 CA ILE A 123 -0.441 -9.048 9.016 1.00 0.00 C ATOM 1941 C ILE A 123 -0.070 -8.763 10.458 1.00 0.00 C ATOM 1942 O ILE A 123 0.543 -7.744 10.770 1.00 0.00 O ATOM 1943 CB ILE A 123 0.821 -8.989 8.127 1.00 0.00 C ATOM 1944 CG1 ILE A 123 0.449 -9.198 6.656 1.00 0.00 C ATOM 1945 CG2 ILE A 123 1.832 -10.037 8.574 1.00 0.00 C ATOM 1946 CD1 ILE A 123 1.625 -9.105 5.706 1.00 0.00 C ATOM 0 H ILE A 123 -1.116 -7.220 8.255 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.854 -10.053 8.936 1.00 0.00 H new ATOM 0 HB ILE A 123 1.274 -8.003 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.018 -10.176 6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.296 -8.455 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.716 -9.984 7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.117 -9.849 9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.387 -11.029 8.494 1.00 0.00 H new ATOM 0 HD11 ILE A 123 1.281 -9.264 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.080 -8.118 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.362 -9.866 5.963 1.00 0.00 H new ATOM 1958 N LYS A 124 -0.481 -9.660 11.332 1.00 0.00 N ATOM 1959 CA LYS A 124 -0.167 -9.563 12.740 1.00 0.00 C ATOM 1960 C LYS A 124 0.879 -10.611 13.086 1.00 0.00 C ATOM 1961 O LYS A 124 1.420 -11.279 12.207 1.00 0.00 O ATOM 1962 CB LYS A 124 -1.431 -9.787 13.578 1.00 0.00 C ATOM 1963 CG LYS A 124 -2.563 -8.818 13.271 1.00 0.00 C ATOM 1964 CD LYS A 124 -2.318 -7.452 13.890 1.00 0.00 C ATOM 1965 CE LYS A 124 -3.450 -6.492 13.566 1.00 0.00 C ATOM 1966 NZ LYS A 124 -3.396 -5.262 14.398 1.00 0.00 N ATOM 0 H LYS A 124 -1.042 -10.475 11.085 1.00 0.00 H new ATOM 0 HA LYS A 124 0.223 -8.569 12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.785 -10.805 13.416 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -1.173 -9.704 14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -2.670 -8.714 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -3.502 -9.225 13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -2.220 -7.552 14.971 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -1.376 -7.046 13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.402 -6.218 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -4.405 -6.993 13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.112 -4.586 14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -3.586 -5.506 15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -2.452 -4.832 14.322 1.00 0.00 H new ATOM 1980 N LYS A 125 1.155 -10.761 14.362 1.00 0.00 N ATOM 1981 CA LYS A 125 2.081 -11.775 14.819 1.00 0.00 C ATOM 1982 C LYS A 125 1.340 -13.092 14.961 1.00 0.00 C ATOM 1983 O LYS A 125 1.758 -14.129 14.443 1.00 0.00 O ATOM 1984 CB LYS A 125 2.703 -11.350 16.149 1.00 0.00 C ATOM 1985 CG LYS A 125 3.908 -12.183 16.573 1.00 0.00 C ATOM 1986 CD LYS A 125 3.502 -13.430 17.348 1.00 0.00 C ATOM 1987 CE LYS A 125 3.386 -13.166 18.845 1.00 0.00 C ATOM 1988 NZ LYS A 125 2.437 -12.065 19.164 1.00 0.00 N ATOM 0 H LYS A 125 0.750 -10.192 15.105 1.00 0.00 H new ATOM 0 HA LYS A 125 2.887 -11.899 14.095 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.005 -10.305 16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.943 -11.410 16.928 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.475 -12.475 15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 125 4.570 -11.574 17.189 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.547 -13.795 16.970 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.235 -14.218 17.176 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.060 -14.077 19.346 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.370 -12.918 19.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.307 -12.007 20.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.819 -11.164 18.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.521 -12.254 18.709 1.00 0.00 H new ATOM 2002 N ASP A 126 0.234 -13.023 15.677 1.00 0.00 N ATOM 2003 CA ASP A 126 -0.550 -14.201 16.031 1.00 0.00 C ATOM 2004 C ASP A 126 -1.478 -14.647 14.898 1.00 0.00 C ATOM 2005 O ASP A 126 -2.223 -15.618 15.052 1.00 0.00 O ATOM 2006 CB ASP A 126 -1.366 -13.918 17.297 1.00 0.00 C ATOM 2007 CG ASP A 126 -0.497 -13.464 18.455 1.00 0.00 C ATOM 2008 OD1 ASP A 126 -0.096 -12.280 18.473 1.00 0.00 O ATOM 2009 OD2 ASP A 126 -0.196 -14.289 19.345 1.00 0.00 O ATOM 0 H ASP A 126 -0.151 -12.148 16.033 1.00 0.00 H new ATOM 0 HA ASP A 126 0.150 -15.017 16.213 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -2.110 -13.151 17.082 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.909 -14.818 17.585 1.00 0.00 H new ATOM 2014 N GLY A 127 -1.438 -13.953 13.764 1.00 0.00 N ATOM 2015 CA GLY A 127 -2.264 -14.345 12.635 1.00 0.00 C ATOM 2016 C GLY A 127 -2.352 -13.282 11.555 1.00 0.00 C ATOM 2017 O GLY A 127 -1.869 -12.167 11.731 1.00 0.00 O ATOM 0 H GLY A 127 -0.853 -13.132 13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.863 -15.261 12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.268 -14.575 12.991 1.00 0.00 H new ATOM 2021 N VAL A 128 -2.965 -13.638 10.432 1.00 0.00 N ATOM 2022 CA VAL A 128 -3.165 -12.713 9.326 1.00 0.00 C ATOM 2023 C VAL A 128 -4.642 -12.695 8.920 1.00 0.00 C ATOM 2024 O VAL A 128 -5.321 -13.720 8.991 1.00 0.00 O ATOM 2025 CB VAL A 128 -2.277 -13.088 8.111 1.00 0.00 C ATOM 2026 CG1 VAL A 128 -2.684 -14.431 7.519 1.00 0.00 C ATOM 2027 CG2 VAL A 128 -2.313 -12.001 7.048 1.00 0.00 C ATOM 0 H VAL A 128 -3.336 -14.573 10.264 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.872 -11.717 9.658 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.252 -13.177 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.042 -14.664 6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.581 -15.209 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.721 -14.383 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.681 -12.292 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.337 -11.865 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.946 -11.066 7.471 1.00 0.00 H new ATOM 2037 N ASP A 129 -5.142 -11.528 8.535 1.00 0.00 N ATOM 2038 CA ASP A 129 -6.542 -11.392 8.134 1.00 0.00 C ATOM 2039 C ASP A 129 -6.636 -10.859 6.707 1.00 0.00 C ATOM 2040 O ASP A 129 -5.844 -10.008 6.305 1.00 0.00 O ATOM 2041 CB ASP A 129 -7.278 -10.456 9.096 1.00 0.00 C ATOM 2042 CG ASP A 129 -8.771 -10.418 8.843 1.00 0.00 C ATOM 2043 OD1 ASP A 129 -9.491 -11.284 9.390 1.00 0.00 O ATOM 2044 OD2 ASP A 129 -9.232 -9.530 8.105 1.00 0.00 O ATOM 0 H ASP A 129 -4.604 -10.663 8.491 1.00 0.00 H new ATOM 0 HA ASP A 129 -7.012 -12.375 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -7.095 -10.778 10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.871 -9.449 9.000 1.00 0.00 H new ATOM 2049 N GLU A 130 -7.592 -11.370 5.940 1.00 0.00 N ATOM 2050 CA GLU A 130 -7.744 -10.985 4.550 1.00 0.00 C ATOM 2051 C GLU A 130 -8.803 -9.896 4.388 1.00 0.00 C ATOM 2052 O GLU A 130 -9.918 -10.018 4.902 1.00 0.00 O ATOM 2053 CB GLU A 130 -8.131 -12.205 3.720 1.00 0.00 C ATOM 2054 CG GLU A 130 -7.159 -13.369 3.850 1.00 0.00 C ATOM 2055 CD GLU A 130 -7.432 -14.475 2.852 1.00 0.00 C ATOM 2056 OE1 GLU A 130 -8.490 -15.134 2.949 1.00 0.00 O ATOM 2057 OE2 GLU A 130 -6.589 -14.693 1.959 1.00 0.00 O ATOM 0 H GLU A 130 -8.275 -12.055 6.263 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.791 -10.586 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -9.124 -12.538 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -8.197 -11.914 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.141 -13.004 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.218 -13.774 4.860 1.00 0.00 H new ATOM 2064 N GLU A 131 -8.451 -8.843 3.663 1.00 0.00 N ATOM 2065 CA GLU A 131 -9.366 -7.741 3.402 1.00 0.00 C ATOM 2066 C GLU A 131 -9.528 -7.535 1.894 1.00 0.00 C ATOM 2067 O GLU A 131 -8.589 -7.744 1.121 1.00 0.00 O ATOM 2068 CB GLU A 131 -8.851 -6.458 4.070 1.00 0.00 C ATOM 2069 CG GLU A 131 -9.790 -5.269 3.931 1.00 0.00 C ATOM 2070 CD GLU A 131 -11.179 -5.544 4.478 1.00 0.00 C ATOM 2071 OE1 GLU A 131 -12.030 -6.049 3.713 1.00 0.00 O ATOM 2072 OE2 GLU A 131 -11.434 -5.233 5.660 1.00 0.00 O ATOM 0 H GLU A 131 -7.529 -8.729 3.242 1.00 0.00 H new ATOM 0 HA GLU A 131 -10.341 -7.983 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -8.684 -6.654 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -7.885 -6.198 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.363 -4.413 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.867 -4.995 2.879 1.00 0.00 H new ATOM 2079 N GLU A 132 -10.720 -7.129 1.476 1.00 0.00 N ATOM 2080 CA GLU A 132 -11.013 -6.968 0.059 1.00 0.00 C ATOM 2081 C GLU A 132 -10.869 -5.505 -0.362 1.00 0.00 C ATOM 2082 O GLU A 132 -11.142 -4.584 0.418 1.00 0.00 O ATOM 2083 CB GLU A 132 -12.421 -7.483 -0.256 1.00 0.00 C ATOM 2084 CG GLU A 132 -12.763 -7.455 -1.738 1.00 0.00 C ATOM 2085 CD GLU A 132 -14.159 -7.958 -2.032 1.00 0.00 C ATOM 2086 OE1 GLU A 132 -15.127 -7.206 -1.795 1.00 0.00 O ATOM 2087 OE2 GLU A 132 -14.294 -9.095 -2.530 1.00 0.00 O ATOM 0 H GLU A 132 -11.498 -6.906 2.097 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.293 -7.557 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.515 -8.505 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.149 -6.881 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -12.665 -6.435 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.041 -8.063 -2.283 1.00 0.00 H new ATOM 2094 N ILE A 133 -10.436 -5.302 -1.598 1.00 0.00 N ATOM 2095 CA ILE A 133 -10.218 -3.969 -2.132 1.00 0.00 C ATOM 2096 C ILE A 133 -11.383 -3.526 -3.014 1.00 0.00 C ATOM 2097 O ILE A 133 -11.882 -4.291 -3.842 1.00 0.00 O ATOM 2098 CB ILE A 133 -8.897 -3.907 -2.935 1.00 0.00 C ATOM 2099 CG1 ILE A 133 -7.703 -4.085 -1.989 1.00 0.00 C ATOM 2100 CG2 ILE A 133 -8.790 -2.595 -3.706 1.00 0.00 C ATOM 2101 CD1 ILE A 133 -6.360 -4.038 -2.683 1.00 0.00 C ATOM 0 H ILE A 133 -10.227 -6.054 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 133 -10.149 -3.286 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 133 -8.891 -4.719 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -7.735 -3.305 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -7.801 -5.039 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.853 -2.575 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -9.626 -2.512 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -8.814 -1.759 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -5.566 -4.171 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -6.306 -4.835 -3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -6.239 -3.074 -3.177 1.00 0.00 H new ATOM 2113 N ILE A 134 -11.824 -2.294 -2.809 1.00 0.00 N ATOM 2114 CA ILE A 134 -12.861 -1.699 -3.635 1.00 0.00 C ATOM 2115 C ILE A 134 -12.253 -0.601 -4.496 1.00 0.00 C ATOM 2116 O ILE A 134 -11.584 0.295 -3.979 1.00 0.00 O ATOM 2117 CB ILE A 134 -14.006 -1.103 -2.780 1.00 0.00 C ATOM 2118 CG1 ILE A 134 -14.599 -2.167 -1.851 1.00 0.00 C ATOM 2119 CG2 ILE A 134 -15.090 -0.508 -3.671 1.00 0.00 C ATOM 2120 CD1 ILE A 134 -15.178 -3.367 -2.573 1.00 0.00 C ATOM 0 H ILE A 134 -11.475 -1.683 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 134 -13.283 -2.485 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.590 -0.305 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -13.823 -2.509 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -15.381 -1.709 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -15.885 -0.095 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -14.662 0.283 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -15.500 -1.286 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.577 -4.073 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.978 -3.041 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.396 -3.852 -3.157 1.00 0.00 H new ATOM 2132 N LEU A 135 -12.460 -0.682 -5.802 1.00 0.00 N ATOM 2133 CA LEU A 135 -11.899 0.300 -6.720 1.00 0.00 C ATOM 2134 C LEU A 135 -12.923 1.364 -7.098 1.00 0.00 C ATOM 2135 O LEU A 135 -13.981 1.056 -7.649 1.00 0.00 O ATOM 2136 CB LEU A 135 -11.381 -0.385 -7.984 1.00 0.00 C ATOM 2137 CG LEU A 135 -10.188 -1.315 -7.774 1.00 0.00 C ATOM 2138 CD1 LEU A 135 -9.801 -1.977 -9.088 1.00 0.00 C ATOM 2139 CD2 LEU A 135 -9.012 -0.541 -7.194 1.00 0.00 C ATOM 0 H LEU A 135 -13.010 -1.415 -6.250 1.00 0.00 H new ATOM 0 HA LEU A 135 -11.071 0.789 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -12.195 -0.958 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -11.101 0.382 -8.706 1.00 0.00 H new ATOM 0 HG LEU A 135 -10.468 -2.094 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -8.949 -2.638 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -10.643 -2.557 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.533 -1.211 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.168 -1.216 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -8.726 0.255 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -9.299 -0.108 -6.236 1.00 0.00 H new ATOM 2151 N LYS A 136 -12.601 2.612 -6.798 1.00 0.00 N ATOM 2152 CA LYS A 136 -13.437 3.739 -7.195 1.00 0.00 C ATOM 2153 C LYS A 136 -12.728 4.576 -8.249 1.00 0.00 C ATOM 2154 O LYS A 136 -11.595 4.285 -8.628 1.00 0.00 O ATOM 2155 CB LYS A 136 -13.772 4.636 -6.001 1.00 0.00 C ATOM 2156 CG LYS A 136 -14.735 4.023 -4.996 1.00 0.00 C ATOM 2157 CD LYS A 136 -15.368 5.091 -4.107 1.00 0.00 C ATOM 2158 CE LYS A 136 -14.320 5.981 -3.446 1.00 0.00 C ATOM 2159 NZ LYS A 136 -14.932 7.112 -2.695 1.00 0.00 N ATOM 0 H LYS A 136 -11.763 2.873 -6.278 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.362 3.329 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -12.846 4.893 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -14.200 5.567 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -15.517 3.478 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -14.205 3.299 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -16.042 5.706 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -15.972 4.610 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -13.714 5.382 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -13.648 6.375 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.238 7.881 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -15.766 7.460 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -15.220 6.786 -1.750 1.00 0.00 H new ATOM 2173 N GLU A 137 -13.405 5.605 -8.732 1.00 0.00 N ATOM 2174 CA GLU A 137 -12.779 6.587 -9.603 1.00 0.00 C ATOM 2175 C GLU A 137 -12.498 7.844 -8.793 1.00 0.00 C ATOM 2176 O GLU A 137 -11.592 8.623 -9.087 1.00 0.00 O ATOM 2177 CB GLU A 137 -13.704 6.910 -10.773 1.00 0.00 C ATOM 2178 CG GLU A 137 -12.975 7.381 -12.020 1.00 0.00 C ATOM 2179 CD GLU A 137 -12.058 6.317 -12.589 1.00 0.00 C ATOM 2180 OE1 GLU A 137 -12.563 5.258 -13.020 1.00 0.00 O ATOM 2181 OE2 GLU A 137 -10.831 6.534 -12.614 1.00 0.00 O ATOM 0 H GLU A 137 -14.390 5.782 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 137 -11.846 6.190 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -14.288 6.023 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -14.410 7.681 -10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -13.704 7.671 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -12.392 8.271 -11.782 1.00 0.00 H new ATOM 2188 N GLU A 138 -13.291 7.993 -7.750 1.00 0.00 N ATOM 2189 CA GLU A 138 -13.211 9.123 -6.837 1.00 0.00 C ATOM 2190 C GLU A 138 -12.333 8.793 -5.639 1.00 0.00 C ATOM 2191 O GLU A 138 -12.288 7.646 -5.192 1.00 0.00 O ATOM 2192 CB GLU A 138 -14.613 9.482 -6.353 1.00 0.00 C ATOM 2193 CG GLU A 138 -15.445 8.261 -5.995 1.00 0.00 C ATOM 2194 CD GLU A 138 -16.737 8.607 -5.294 1.00 0.00 C ATOM 2195 OE1 GLU A 138 -17.742 8.885 -5.985 1.00 0.00 O ATOM 2196 OE2 GLU A 138 -16.757 8.572 -4.049 1.00 0.00 O ATOM 0 H GLU A 138 -14.021 7.324 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 138 -12.770 9.967 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -14.536 10.131 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -15.126 10.050 -7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -15.670 7.703 -6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -14.857 7.603 -5.355 1.00 0.00 H new ATOM 2203 N LEU A 139 -11.652 9.804 -5.119 1.00 0.00 N ATOM 2204 CA LEU A 139 -10.805 9.642 -3.943 1.00 0.00 C ATOM 2205 C LEU A 139 -11.672 9.582 -2.684 1.00 0.00 C ATOM 2206 O LEU A 139 -12.858 9.228 -2.741 1.00 0.00 O ATOM 2207 CB LEU A 139 -9.832 10.824 -3.839 1.00 0.00 C ATOM 2208 CG LEU A 139 -9.012 11.126 -5.096 1.00 0.00 C ATOM 2209 CD1 LEU A 139 -8.211 12.406 -4.908 1.00 0.00 C ATOM 2210 CD2 LEU A 139 -8.084 9.968 -5.425 1.00 0.00 C ATOM 0 H LEU A 139 -11.669 10.752 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.240 8.715 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -10.401 11.716 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.143 10.632 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.701 11.261 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.633 12.609 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.891 13.236 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.535 12.291 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -7.511 10.204 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -7.401 9.801 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.673 9.067 -5.598 1.00 0.00 H new