USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 243 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 90 THR OG1 : rot 168:sc= 0.241 USER MOD Set 1.2: A 92 MET CE :methyl -167:sc= -0.0537 (180deg=-0.35) USER MOD Set 2.1: A 74 SER OG : rot -77:sc= 1.21 USER MOD Set 2.2: A 94 THR OG1 : rot -174:sc= 1.17 USER MOD Set 3.1: A 53 TYR OH : rot 180:sc= -0.0901 USER MOD Set 3.2: A 69 ASN : amide:sc= -0.319 K(o=-0.41,f=-8.4!) USER MOD Set 4.1: A 68 TYR OH : rot 36:sc= 1.11 USER MOD Set 4.2: A 70 LYS NZ :NH3+ 166:sc= -0.016 (180deg=-0.194) USER MOD Set 5.1: A 59 ASN : amide:sc= -4.9! K(o=-3.3!,f=0.44) USER MOD Set 5.2: A 66 THR OG1 : rot -174:sc= 1.59 USER MOD Set 6.1: A 46 SER OG : rot -52:sc= 1.3 USER MOD Set 6.2: A 47 THR OG1 : rot 53:sc= 0.36 USER MOD Set 7.1: A 5 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 7.2: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0561 (180deg=-0.358) USER MOD Single : A 22 TYR OH : rot -170:sc= 1.25 USER MOD Single : A 23 TYR OH : rot 145:sc= -0.755 USER MOD Single : A 25 ASN : amide:sc= 0.856 K(o=0.86,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.012) USER MOD Single : A 34 GLN : amide:sc= -1.48! C(o=-1.5!,f=-2.4!) USER MOD Single : A 37 ASN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -21:sc= 0.239 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 62 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 71 ASN : amide:sc= 0.211 K(o=0.21,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.35) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.77! K(o=-2.8!,f=-1.5) USER MOD Single : A 99 THR OG1 : rot 49:sc= 0.0353 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -165:sc= -0.0332 (180deg=-0.319) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -108:sc= -1.08 (180deg=-2.99!) USER MOD Single : A 108 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-0.82) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 0.758 -11.361 -6.889 1.00 0.00 N ATOM 26 CA GLU A 4 1.359 -10.453 -7.895 1.00 0.00 C ATOM 27 C GLU A 4 0.432 -10.336 -9.123 1.00 0.00 C ATOM 28 O GLU A 4 -0.752 -10.641 -9.002 1.00 0.00 O ATOM 29 CB GLU A 4 2.791 -10.897 -8.243 1.00 0.00 C ATOM 30 CG GLU A 4 3.866 -9.945 -7.706 1.00 0.00 C ATOM 31 CD GLU A 4 3.983 -8.683 -8.568 1.00 0.00 C ATOM 32 OE1 GLU A 4 4.493 -8.828 -9.700 1.00 0.00 O ATOM 33 OE2 GLU A 4 3.467 -7.634 -8.132 1.00 0.00 O ATOM 0 HA GLU A 4 1.451 -9.450 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.964 -11.894 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.888 -10.971 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.625 -9.665 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.827 -10.458 -7.679 1.00 0.00 H new ATOM 35 N GLN A 5 0.919 -9.755 -10.224 1.00 0.00 N ATOM 36 CA GLN A 5 0.187 -9.657 -11.512 1.00 0.00 C ATOM 37 C GLN A 5 -1.171 -8.939 -11.315 1.00 0.00 C ATOM 38 O GLN A 5 -2.230 -9.564 -11.296 1.00 0.00 O ATOM 39 CB GLN A 5 -0.035 -11.046 -12.145 1.00 0.00 C ATOM 40 CG GLN A 5 1.164 -12.010 -12.159 1.00 0.00 C ATOM 41 CD GLN A 5 2.331 -11.583 -13.053 1.00 0.00 C ATOM 42 OE1 GLN A 5 2.188 -10.995 -14.116 1.00 0.00 O ATOM 43 NE2 GLN A 5 3.527 -11.953 -12.648 1.00 0.00 N ATOM 0 H GLN A 5 1.846 -9.330 -10.256 1.00 0.00 H new ATOM 0 HA GLN A 5 0.803 -9.070 -12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.854 -11.532 -11.615 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.364 -10.900 -13.174 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.531 -12.123 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.818 -12.991 -12.484 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.636 -12.443 -11.760 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.345 -11.750 -13.222 1.00 0.00 H new ATOM 47 N PHE A 6 -1.092 -7.607 -11.311 1.00 0.00 N ATOM 48 CA PHE A 6 -2.171 -6.644 -10.973 1.00 0.00 C ATOM 49 C PHE A 6 -2.357 -6.394 -9.471 1.00 0.00 C ATOM 50 O PHE A 6 -2.986 -7.150 -8.733 1.00 0.00 O ATOM 51 CB PHE A 6 -3.543 -6.921 -11.606 1.00 0.00 C ATOM 52 CG PHE A 6 -3.777 -6.151 -12.905 1.00 0.00 C ATOM 53 CD1 PHE A 6 -3.953 -4.772 -12.863 1.00 0.00 C ATOM 54 CD2 PHE A 6 -4.044 -6.849 -14.076 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.416 -4.096 -13.984 1.00 0.00 C ATOM 56 CE2 PHE A 6 -4.503 -6.172 -15.199 1.00 0.00 C ATOM 57 CZ PHE A 6 -4.694 -4.797 -15.151 1.00 0.00 C ATOM 0 H PHE A 6 -0.224 -7.131 -11.557 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.779 -5.738 -11.435 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.635 -7.989 -11.803 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.324 -6.660 -10.892 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.729 -4.227 -11.958 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.895 -7.918 -14.113 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.560 -3.026 -13.949 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.711 -6.715 -16.109 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.059 -4.272 -16.022 1.00 0.00 H new ATOM 64 N GLU A 7 -1.769 -5.285 -9.043 1.00 0.00 N ATOM 65 CA GLU A 7 -1.932 -4.783 -7.667 1.00 0.00 C ATOM 66 C GLU A 7 -2.657 -3.429 -7.631 1.00 0.00 C ATOM 67 O GLU A 7 -2.067 -2.372 -7.835 1.00 0.00 O ATOM 68 CB GLU A 7 -0.584 -4.735 -6.945 1.00 0.00 C ATOM 69 CG GLU A 7 -0.235 -6.072 -6.282 1.00 0.00 C ATOM 70 CD GLU A 7 0.624 -7.047 -7.098 1.00 0.00 C ATOM 71 OE1 GLU A 7 0.579 -7.029 -8.348 1.00 0.00 O ATOM 72 OE2 GLU A 7 1.310 -7.839 -6.413 1.00 0.00 O ATOM 0 H GLU A 7 -1.168 -4.705 -9.628 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.570 -5.485 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.198 -4.469 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.607 -3.951 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.285 -5.862 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.166 -6.575 -6.022 1.00 0.00 H new ATOM 74 N LEU A 8 -3.971 -3.533 -7.471 1.00 0.00 N ATOM 75 CA LEU A 8 -4.904 -2.386 -7.413 1.00 0.00 C ATOM 76 C LEU A 8 -5.243 -1.986 -5.967 1.00 0.00 C ATOM 77 O LEU A 8 -5.827 -2.762 -5.212 1.00 0.00 O ATOM 78 CB LEU A 8 -6.185 -2.748 -8.170 1.00 0.00 C ATOM 79 CG LEU A 8 -6.037 -2.598 -9.685 1.00 0.00 C ATOM 80 CD1 LEU A 8 -6.841 -3.680 -10.405 1.00 0.00 C ATOM 81 CD2 LEU A 8 -6.567 -1.227 -10.111 1.00 0.00 C ATOM 0 H LEU A 8 -4.440 -4.433 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.417 -1.528 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.462 -3.776 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.999 -2.111 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.983 -2.696 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.727 -3.562 -11.483 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.476 -4.663 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.894 -3.588 -10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.463 -1.116 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.619 -1.142 -9.837 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.997 -0.445 -9.610 1.00 0.00 H new ATOM 83 N PHE A 9 -4.758 -0.811 -5.585 1.00 0.00 N ATOM 84 CA PHE A 9 -4.991 -0.259 -4.229 1.00 0.00 C ATOM 85 C PHE A 9 -5.621 1.147 -4.248 1.00 0.00 C ATOM 86 O PHE A 9 -5.339 1.959 -5.126 1.00 0.00 O ATOM 87 CB PHE A 9 -3.676 -0.227 -3.442 1.00 0.00 C ATOM 88 CG PHE A 9 -2.977 -1.587 -3.368 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.434 -2.563 -2.490 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.843 -1.814 -4.136 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.753 -3.770 -2.377 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.158 -3.016 -4.010 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.616 -3.997 -3.141 1.00 0.00 C ATOM 0 H PHE A 9 -4.197 -0.209 -6.188 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.706 -0.921 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.002 0.494 -3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.875 0.126 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.318 -2.384 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.495 -1.061 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.108 -4.530 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.264 -3.188 -4.591 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.088 -4.936 -3.059 1.00 0.00 H new ATOM 100 N SER A 10 -6.514 1.385 -3.291 1.00 0.00 N ATOM 101 CA SER A 10 -7.181 2.698 -3.098 1.00 0.00 C ATOM 102 C SER A 10 -7.260 3.127 -1.620 1.00 0.00 C ATOM 103 O SER A 10 -7.607 2.325 -0.751 1.00 0.00 O ATOM 104 CB SER A 10 -8.595 2.666 -3.695 1.00 0.00 C ATOM 105 OG SER A 10 -9.377 1.607 -3.124 1.00 0.00 O ATOM 0 H SER A 10 -6.806 0.678 -2.617 1.00 0.00 H new ATOM 0 HA SER A 10 -6.566 3.434 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.089 3.622 -3.518 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.533 2.534 -4.775 1.00 0.00 H new ATOM 0 HG SER A 10 -10.273 1.611 -3.521 1.00 0.00 H new ATOM 108 N ILE A 11 -6.897 4.383 -1.362 1.00 0.00 N ATOM 109 CA ILE A 11 -7.000 4.965 0.000 1.00 0.00 C ATOM 110 C ILE A 11 -8.376 5.600 0.315 1.00 0.00 C ATOM 111 O ILE A 11 -8.956 6.329 -0.486 1.00 0.00 O ATOM 112 CB ILE A 11 -5.809 5.897 0.316 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.478 5.833 1.819 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.034 7.348 -0.142 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.146 6.475 2.235 1.00 0.00 C ATOM 0 H ILE A 11 -6.530 5.024 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.934 4.123 0.690 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.957 5.535 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.283 6.319 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.468 4.787 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.160 7.949 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.190 7.369 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.912 7.756 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.014 6.373 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.325 5.976 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.153 7.532 1.968 1.00 0.00 H new ATOM 117 N ASP A 12 -8.684 5.489 1.601 1.00 0.00 N ATOM 118 CA ASP A 12 -9.839 6.075 2.330 1.00 0.00 C ATOM 119 C ASP A 12 -9.947 7.605 2.508 1.00 0.00 C ATOM 120 O ASP A 12 -10.704 8.055 3.362 1.00 0.00 O ATOM 121 CB ASP A 12 -9.891 5.448 3.728 1.00 0.00 C ATOM 122 CG ASP A 12 -8.526 5.540 4.417 1.00 0.00 C ATOM 123 OD1 ASP A 12 -8.232 6.595 5.008 1.00 0.00 O ATOM 124 OD2 ASP A 12 -7.702 4.630 4.178 1.00 0.00 O ATOM 0 H ASP A 12 -8.092 4.944 2.228 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.672 5.843 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.643 5.956 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.195 4.404 3.652 1.00 0.00 H new ATOM 126 N LYS A 13 -9.145 8.378 1.779 1.00 0.00 N ATOM 127 CA LYS A 13 -9.109 9.865 1.864 1.00 0.00 C ATOM 128 C LYS A 13 -9.106 10.506 3.278 1.00 0.00 C ATOM 129 O LYS A 13 -9.610 11.612 3.474 1.00 0.00 O ATOM 130 CB LYS A 13 -10.181 10.471 0.936 1.00 0.00 C ATOM 131 CG LYS A 13 -11.644 10.195 1.325 1.00 0.00 C ATOM 132 CD LYS A 13 -12.680 10.536 0.248 1.00 0.00 C ATOM 133 CE LYS A 13 -12.737 12.026 -0.107 1.00 0.00 C ATOM 134 NZ LYS A 13 -13.924 12.323 -0.923 1.00 0.00 N ATOM 0 H LYS A 13 -8.487 7.999 1.098 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.112 10.132 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.033 11.550 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.016 10.092 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.743 9.140 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.878 10.764 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.454 9.966 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.664 10.216 0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.759 12.621 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.836 12.310 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.943 13.337 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.888 11.770 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.782 12.072 -0.392 1.00 0.00 H new ATOM 139 N PHE A 14 -8.454 9.838 4.231 1.00 0.00 N ATOM 140 CA PHE A 14 -8.358 10.323 5.626 1.00 0.00 C ATOM 141 C PHE A 14 -7.089 11.146 5.929 1.00 0.00 C ATOM 142 O PHE A 14 -6.962 12.271 5.454 1.00 0.00 O ATOM 143 CB PHE A 14 -8.554 9.163 6.619 1.00 0.00 C ATOM 144 CG PHE A 14 -10.001 8.878 7.024 1.00 0.00 C ATOM 145 CD1 PHE A 14 -10.818 9.913 7.467 1.00 0.00 C ATOM 146 CD2 PHE A 14 -10.440 7.563 7.124 1.00 0.00 C ATOM 147 CE1 PHE A 14 -12.062 9.632 8.014 1.00 0.00 C ATOM 148 CE2 PHE A 14 -11.690 7.282 7.660 1.00 0.00 C ATOM 149 CZ PHE A 14 -12.500 8.317 8.111 1.00 0.00 C ATOM 0 H PHE A 14 -7.978 8.951 4.069 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.175 11.033 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.133 8.258 6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.979 9.378 7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.484 10.937 7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.807 6.757 6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.691 10.437 8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.032 6.260 7.726 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.469 8.100 8.536 1.00 0.00 H new ATOM 156 N LYS A 15 -6.120 10.531 6.612 1.00 0.00 N ATOM 157 CA LYS A 15 -4.916 11.183 7.180 1.00 0.00 C ATOM 158 C LYS A 15 -3.955 10.162 7.824 1.00 0.00 C ATOM 159 O LYS A 15 -3.060 9.658 7.153 1.00 0.00 O ATOM 160 CB LYS A 15 -5.243 12.362 8.128 1.00 0.00 C ATOM 161 CG LYS A 15 -6.253 12.076 9.253 1.00 0.00 C ATOM 162 CD LYS A 15 -7.605 12.756 9.024 1.00 0.00 C ATOM 163 CE LYS A 15 -8.619 12.296 10.074 1.00 0.00 C ATOM 164 NZ LYS A 15 -9.864 13.073 9.995 1.00 0.00 N ATOM 0 H LYS A 15 -6.144 9.528 6.797 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.392 11.628 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.313 12.703 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.625 13.187 7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.402 10.999 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.838 12.414 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.487 13.839 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.973 12.520 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.839 11.238 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.187 12.399 11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.530 12.736 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.656 14.079 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.288 12.954 9.053 1.00 0.00 H new ATOM 169 N CYS A 16 -4.317 9.694 9.022 1.00 0.00 N ATOM 170 CA CYS A 16 -3.492 8.843 9.911 1.00 0.00 C ATOM 171 C CYS A 16 -2.114 9.427 10.295 1.00 0.00 C ATOM 172 O CYS A 16 -1.153 8.702 10.552 1.00 0.00 O ATOM 173 CB CYS A 16 -3.433 7.400 9.397 1.00 0.00 C ATOM 174 SG CYS A 16 -5.029 6.531 9.613 1.00 0.00 S ATOM 0 H CYS A 16 -5.231 9.902 9.424 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.013 8.828 10.868 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.161 7.402 8.342 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.650 6.858 9.927 1.00 0.00 H new ATOM 176 N ASN A 17 -2.172 10.725 10.601 1.00 0.00 N ATOM 177 CA ASN A 17 -1.066 11.615 11.023 1.00 0.00 C ATOM 178 C ASN A 17 0.043 11.784 9.966 1.00 0.00 C ATOM 179 O ASN A 17 -0.081 12.640 9.093 1.00 0.00 O ATOM 180 CB ASN A 17 -0.533 11.215 12.408 1.00 0.00 C ATOM 181 CG ASN A 17 -0.685 12.361 13.406 1.00 0.00 C ATOM 182 OD1 ASN A 17 -1.587 12.399 14.228 1.00 0.00 O ATOM 183 ND2 ASN A 17 0.211 13.321 13.353 1.00 0.00 N ATOM 0 H ASN A 17 -3.058 11.229 10.560 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.491 12.614 11.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.072 10.339 12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.517 10.933 12.330 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.156 14.106 14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.961 13.281 12.663 1.00 0.00 H new ATOM 187 N SER A 18 1.164 11.089 10.137 1.00 0.00 N ATOM 188 CA SER A 18 2.238 11.013 9.122 1.00 0.00 C ATOM 189 C SER A 18 1.735 10.125 7.969 1.00 0.00 C ATOM 190 O SER A 18 0.867 9.283 8.189 1.00 0.00 O ATOM 191 CB SER A 18 3.524 10.424 9.723 1.00 0.00 C ATOM 192 OG SER A 18 3.782 10.935 11.035 1.00 0.00 O ATOM 0 H SER A 18 1.364 10.556 10.984 1.00 0.00 H new ATOM 0 HA SER A 18 2.476 12.014 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.440 9.338 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.367 10.653 9.072 1.00 0.00 H new ATOM 0 HG SER A 18 4.606 10.537 11.385 1.00 0.00 H new ATOM 195 N GLU A 19 2.511 10.101 6.885 1.00 0.00 N ATOM 196 CA GLU A 19 2.098 9.652 5.533 1.00 0.00 C ATOM 197 C GLU A 19 1.103 10.630 4.885 1.00 0.00 C ATOM 198 O GLU A 19 0.092 11.003 5.473 1.00 0.00 O ATOM 199 CB GLU A 19 1.625 8.183 5.494 1.00 0.00 C ATOM 200 CG GLU A 19 0.116 7.886 5.531 1.00 0.00 C ATOM 201 CD GLU A 19 -0.463 7.705 4.126 1.00 0.00 C ATOM 202 OE1 GLU A 19 -0.620 8.719 3.414 1.00 0.00 O ATOM 203 OE2 GLU A 19 -0.623 6.531 3.732 1.00 0.00 O ATOM 0 H GLU A 19 3.485 10.403 6.914 1.00 0.00 H new ATOM 0 HA GLU A 19 2.995 9.669 4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.028 7.731 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.083 7.667 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.063 6.984 6.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.403 8.701 6.035 1.00 0.00 H new ATOM 205 N ALA A 20 1.492 11.041 3.683 1.00 0.00 N ATOM 206 CA ALA A 20 0.774 11.965 2.769 1.00 0.00 C ATOM 207 C ALA A 20 1.704 12.288 1.582 1.00 0.00 C ATOM 208 O ALA A 20 1.877 11.434 0.722 1.00 0.00 O ATOM 209 CB ALA A 20 0.237 13.241 3.447 1.00 0.00 C ATOM 0 H ALA A 20 2.374 10.725 3.281 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.126 11.459 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.273 13.859 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.463 12.967 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.067 13.801 3.877 1.00 0.00 H new ATOM 211 N LYS A 21 2.554 13.299 1.761 1.00 0.00 N ATOM 212 CA LYS A 21 3.542 13.799 0.776 1.00 0.00 C ATOM 213 C LYS A 21 4.415 12.710 0.112 1.00 0.00 C ATOM 214 O LYS A 21 4.067 12.258 -0.976 1.00 0.00 O ATOM 215 CB LYS A 21 4.332 14.963 1.399 1.00 0.00 C ATOM 216 CG LYS A 21 4.882 14.654 2.799 1.00 0.00 C ATOM 217 CD LYS A 21 5.039 15.921 3.640 1.00 0.00 C ATOM 218 CE LYS A 21 5.330 15.585 5.106 1.00 0.00 C ATOM 219 NZ LYS A 21 4.215 14.878 5.760 1.00 0.00 N ATOM 0 H LYS A 21 2.582 13.824 2.635 1.00 0.00 H new ATOM 0 HA LYS A 21 2.990 14.182 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.162 15.221 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.686 15.839 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.212 13.961 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.847 14.156 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.849 16.529 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.129 16.518 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.228 14.969 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.540 16.506 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.312 14.957 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.313 15.302 5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.232 13.875 5.487 1.00 0.00 H new ATOM 224 N TYR A 22 5.469 12.257 0.789 1.00 0.00 N ATOM 225 CA TYR A 22 6.324 11.130 0.341 1.00 0.00 C ATOM 226 C TYR A 22 5.544 9.842 -0.004 1.00 0.00 C ATOM 227 O TYR A 22 5.808 9.228 -1.031 1.00 0.00 O ATOM 228 CB TYR A 22 7.412 10.849 1.387 1.00 0.00 C ATOM 229 CG TYR A 22 6.920 10.196 2.688 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.989 10.820 3.510 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.353 8.914 2.993 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.475 10.157 4.615 1.00 0.00 C ATOM 233 CE2 TYR A 22 6.842 8.246 4.097 1.00 0.00 C ATOM 234 CZ TYR A 22 5.892 8.864 4.903 1.00 0.00 C ATOM 235 OH TYR A 22 5.283 8.181 5.901 1.00 0.00 O ATOM 0 H TYR A 22 5.767 12.660 1.677 1.00 0.00 H new ATOM 0 HA TYR A 22 6.783 11.447 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.166 10.202 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.905 11.789 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.664 11.826 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.091 8.433 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.751 10.646 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.182 7.248 4.330 1.00 0.00 H new ATOM 0 HH TYR A 22 5.779 7.356 6.083 1.00 0.00 H new ATOM 242 N TYR A 23 4.449 9.614 0.725 1.00 0.00 N ATOM 243 CA TYR A 23 3.550 8.463 0.499 1.00 0.00 C ATOM 244 C TYR A 23 3.012 8.501 -0.944 1.00 0.00 C ATOM 245 O TYR A 23 3.551 7.805 -1.796 1.00 0.00 O ATOM 246 CB TYR A 23 2.424 8.409 1.538 1.00 0.00 C ATOM 247 CG TYR A 23 2.104 6.972 1.969 1.00 0.00 C ATOM 248 CD1 TYR A 23 1.193 6.188 1.269 1.00 0.00 C ATOM 249 CD2 TYR A 23 2.774 6.427 3.060 1.00 0.00 C ATOM 250 CE1 TYR A 23 0.963 4.872 1.652 1.00 0.00 C ATOM 251 CE2 TYR A 23 2.538 5.120 3.455 1.00 0.00 C ATOM 252 CZ TYR A 23 1.630 4.340 2.751 1.00 0.00 C ATOM 253 OH TYR A 23 1.487 3.033 3.075 1.00 0.00 O ATOM 0 H TYR A 23 4.154 10.219 1.491 1.00 0.00 H new ATOM 0 HA TYR A 23 4.120 7.542 0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.710 8.994 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.528 8.871 1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.663 6.603 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.486 7.029 3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.266 4.262 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.058 4.709 4.308 1.00 0.00 H new ATOM 0 HH TYR A 23 2.331 2.691 3.437 1.00 0.00 H new ATOM 260 N LEU A 24 2.226 9.531 -1.248 1.00 0.00 N ATOM 261 CA LEU A 24 1.665 9.740 -2.599 1.00 0.00 C ATOM 262 C LEU A 24 2.729 9.966 -3.696 1.00 0.00 C ATOM 263 O LEU A 24 2.718 9.243 -4.682 1.00 0.00 O ATOM 264 CB LEU A 24 0.561 10.807 -2.585 1.00 0.00 C ATOM 265 CG LEU A 24 0.963 12.244 -2.230 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.302 13.052 -3.485 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.166 12.922 -1.455 1.00 0.00 C ATOM 0 H LEU A 24 1.955 10.247 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 24 1.195 8.799 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.097 10.822 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.204 10.488 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 24 1.856 12.204 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.583 14.066 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.133 12.579 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.432 13.087 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.125 13.942 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.067 12.941 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.363 12.366 -0.538 1.00 0.00 H new ATOM 269 N ASN A 25 3.769 10.735 -3.381 1.00 0.00 N ATOM 270 CA ASN A 25 4.884 11.006 -4.320 1.00 0.00 C ATOM 271 C ASN A 25 5.666 9.762 -4.789 1.00 0.00 C ATOM 272 O ASN A 25 6.393 9.830 -5.775 1.00 0.00 O ATOM 273 CB ASN A 25 5.840 12.056 -3.746 1.00 0.00 C ATOM 274 CG ASN A 25 5.360 13.479 -4.050 1.00 0.00 C ATOM 275 OD1 ASN A 25 5.743 14.110 -5.022 1.00 0.00 O ATOM 276 ND2 ASN A 25 4.534 14.033 -3.195 1.00 0.00 N ATOM 0 H ASN A 25 3.874 11.191 -2.475 1.00 0.00 H new ATOM 0 HA ASN A 25 4.401 11.393 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.924 11.922 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.836 11.910 -4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.213 14.990 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.213 13.507 -2.382 1.00 0.00 H new ATOM 280 N ILE A 26 5.625 8.701 -3.986 1.00 0.00 N ATOM 281 CA ILE A 26 6.261 7.419 -4.357 1.00 0.00 C ATOM 282 C ILE A 26 5.252 6.265 -4.630 1.00 0.00 C ATOM 283 O ILE A 26 5.550 5.409 -5.457 1.00 0.00 O ATOM 284 CB ILE A 26 7.447 7.144 -3.393 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.563 8.190 -3.553 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.151 5.805 -3.620 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.456 9.432 -2.663 1.00 0.00 C ATOM 0 H ILE A 26 5.163 8.694 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 26 6.709 7.492 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 26 6.973 7.164 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.519 7.705 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.582 8.514 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.965 5.696 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.438 4.992 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.552 5.772 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.296 10.097 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.522 9.953 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.473 9.131 -1.615 1.00 0.00 H new ATOM 289 N ILE A 27 4.038 6.294 -4.064 1.00 0.00 N ATOM 290 CA ILE A 27 3.005 5.251 -4.318 1.00 0.00 C ATOM 291 C ILE A 27 1.851 5.613 -5.289 1.00 0.00 C ATOM 292 O ILE A 27 1.284 4.717 -5.912 1.00 0.00 O ATOM 293 CB ILE A 27 2.446 4.652 -3.002 1.00 0.00 C ATOM 294 CG1 ILE A 27 1.790 3.283 -3.278 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.514 5.618 -2.250 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.299 2.494 -2.058 1.00 0.00 C ATOM 0 H ILE A 27 3.735 7.027 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 27 3.573 4.496 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 27 3.286 4.493 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.942 3.441 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.508 2.664 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.155 5.141 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.061 6.526 -1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.665 5.872 -2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.859 1.552 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.139 2.290 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.549 3.078 -1.525 1.00 0.00 H new ATOM 298 N GLU A 28 1.455 6.885 -5.343 1.00 0.00 N ATOM 299 CA GLU A 28 0.252 7.322 -6.086 1.00 0.00 C ATOM 300 C GLU A 28 0.517 7.264 -7.600 1.00 0.00 C ATOM 301 O GLU A 28 1.048 8.189 -8.209 1.00 0.00 O ATOM 302 CB GLU A 28 -0.184 8.709 -5.598 1.00 0.00 C ATOM 303 CG GLU A 28 -1.632 9.079 -5.938 1.00 0.00 C ATOM 304 CD GLU A 28 -1.863 9.471 -7.402 1.00 0.00 C ATOM 305 OE1 GLU A 28 -1.114 10.337 -7.901 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.896 9.005 -7.935 1.00 0.00 O ATOM 0 H GLU A 28 1.950 7.646 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.579 6.644 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.055 8.756 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.480 9.457 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.276 8.233 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.941 9.907 -5.301 1.00 0.00 H new ATOM 308 N GLY A 29 0.095 6.123 -8.140 1.00 0.00 N ATOM 309 CA GLY A 29 0.387 5.694 -9.520 1.00 0.00 C ATOM 310 C GLY A 29 0.864 4.233 -9.516 1.00 0.00 C ATOM 311 O GLY A 29 0.525 3.473 -8.610 1.00 0.00 O ATOM 0 H GLY A 29 -0.473 5.450 -7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.505 5.794 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.152 6.336 -9.957 1.00 0.00 H new ATOM 313 N GLU A 30 1.708 3.908 -10.490 1.00 0.00 N ATOM 314 CA GLU A 30 2.127 2.512 -10.759 1.00 0.00 C ATOM 315 C GLU A 30 3.646 2.340 -10.632 1.00 0.00 C ATOM 316 O GLU A 30 4.411 3.088 -11.238 1.00 0.00 O ATOM 317 CB GLU A 30 1.777 2.017 -12.172 1.00 0.00 C ATOM 318 CG GLU A 30 0.453 2.484 -12.789 1.00 0.00 C ATOM 319 CD GLU A 30 0.633 3.797 -13.558 1.00 0.00 C ATOM 320 OE1 GLU A 30 0.959 3.703 -14.761 1.00 0.00 O ATOM 321 OE2 GLU A 30 0.458 4.863 -12.932 1.00 0.00 O ATOM 0 H GLU A 30 2.127 4.592 -11.120 1.00 0.00 H new ATOM 0 HA GLU A 30 1.581 1.934 -10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.583 2.319 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.771 0.927 -12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.071 1.715 -13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.290 2.619 -12.003 1.00 0.00 H new ATOM 323 N TRP A 31 4.031 1.329 -9.865 1.00 0.00 N ATOM 324 CA TRP A 31 5.409 0.788 -9.845 1.00 0.00 C ATOM 325 C TRP A 31 5.667 0.009 -11.139 1.00 0.00 C ATOM 326 O TRP A 31 4.861 -0.843 -11.502 1.00 0.00 O ATOM 327 CB TRP A 31 5.600 -0.161 -8.656 1.00 0.00 C ATOM 328 CG TRP A 31 5.562 0.597 -7.331 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.479 1.154 -6.791 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.665 1.139 -6.696 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.842 2.065 -5.892 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.172 2.088 -5.820 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.021 0.832 -6.702 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.045 2.771 -4.994 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.881 1.473 -5.815 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.394 2.464 -4.978 1.00 0.00 C ATOM 0 H TRP A 31 3.398 0.847 -9.227 1.00 0.00 H new ATOM 0 HA TRP A 31 6.106 1.621 -9.755 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.819 -0.921 -8.665 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.553 -0.682 -8.753 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.460 0.904 -7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.207 2.649 -5.348 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.406 0.097 -7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.669 3.555 -4.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.925 1.199 -5.779 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.064 2.994 -4.317 1.00 0.00 H new ATOM 344 N HIS A 32 6.843 0.256 -11.718 1.00 0.00 N ATOM 345 CA HIS A 32 7.341 -0.350 -12.984 1.00 0.00 C ATOM 346 C HIS A 32 6.590 0.215 -14.217 1.00 0.00 C ATOM 347 O HIS A 32 5.377 0.414 -14.149 1.00 0.00 O ATOM 348 CB HIS A 32 7.227 -1.889 -13.002 1.00 0.00 C ATOM 349 CG HIS A 32 7.706 -2.589 -11.723 1.00 0.00 C ATOM 350 ND1 HIS A 32 8.828 -2.346 -11.051 1.00 0.00 N ATOM 351 CD2 HIS A 32 6.971 -3.423 -10.992 1.00 0.00 C ATOM 352 CE1 HIS A 32 8.780 -3.015 -9.902 1.00 0.00 C ATOM 353 NE2 HIS A 32 7.631 -3.682 -9.867 1.00 0.00 N ATOM 0 H HIS A 32 7.513 0.909 -11.312 1.00 0.00 H new ATOM 0 HA HIS A 32 8.397 -0.083 -13.035 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.186 -2.159 -13.178 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.803 -2.271 -13.845 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.005 -3.821 -11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.540 -3.016 -9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.311 -4.286 -9.110 1.00 0.00 H new ATOM 356 N PRO A 33 7.292 0.470 -15.333 1.00 0.00 N ATOM 357 CA PRO A 33 6.670 0.957 -16.588 1.00 0.00 C ATOM 358 C PRO A 33 5.736 -0.107 -17.191 1.00 0.00 C ATOM 359 O PRO A 33 5.844 -1.276 -16.832 1.00 0.00 O ATOM 360 CB PRO A 33 7.854 1.263 -17.508 1.00 0.00 C ATOM 361 CG PRO A 33 8.926 0.271 -17.053 1.00 0.00 C ATOM 362 CD PRO A 33 8.738 0.233 -15.536 1.00 0.00 C ATOM 0 HA PRO A 33 6.043 1.834 -16.431 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.594 1.120 -18.557 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.190 2.294 -17.400 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.783 -0.712 -17.502 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.927 0.604 -17.327 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.044 -0.728 -15.123 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.338 0.998 -15.043 1.00 0.00 H new ATOM 363 N GLN A 34 4.973 0.283 -18.212 1.00 0.00 N ATOM 364 CA GLN A 34 4.001 -0.592 -18.930 1.00 0.00 C ATOM 365 C GLN A 34 4.555 -1.876 -19.596 1.00 0.00 C ATOM 366 O GLN A 34 3.785 -2.729 -20.035 1.00 0.00 O ATOM 367 CB GLN A 34 3.244 0.181 -20.021 1.00 0.00 C ATOM 368 CG GLN A 34 2.501 1.450 -19.579 1.00 0.00 C ATOM 369 CD GLN A 34 3.461 2.633 -19.408 1.00 0.00 C ATOM 370 OE1 GLN A 34 3.866 2.997 -18.316 1.00 0.00 O ATOM 371 NE2 GLN A 34 4.009 3.119 -20.501 1.00 0.00 N ATOM 0 H GLN A 34 5.002 1.233 -18.583 1.00 0.00 H new ATOM 0 HA GLN A 34 3.359 -0.916 -18.111 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.956 0.457 -20.798 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.521 -0.495 -20.477 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.739 1.702 -20.317 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.984 1.261 -18.638 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.674 2.818 -21.416 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.768 3.797 -20.433 1.00 0.00 H new ATOM 375 N ASP A 35 5.847 -2.131 -19.424 1.00 0.00 N ATOM 376 CA ASP A 35 6.553 -3.245 -20.089 1.00 0.00 C ATOM 377 C ASP A 35 6.880 -4.337 -19.051 1.00 0.00 C ATOM 378 O ASP A 35 8.023 -4.527 -18.646 1.00 0.00 O ATOM 379 CB ASP A 35 7.798 -2.672 -20.784 1.00 0.00 C ATOM 380 CG ASP A 35 8.593 -3.697 -21.604 1.00 0.00 C ATOM 381 OD1 ASP A 35 7.973 -4.680 -22.065 1.00 0.00 O ATOM 382 OD2 ASP A 35 9.798 -3.433 -21.806 1.00 0.00 O ATOM 0 H ASP A 35 6.447 -1.573 -18.817 1.00 0.00 H new ATOM 0 HA ASP A 35 5.935 -3.720 -20.851 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.491 -1.859 -21.441 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.455 -2.241 -20.029 1.00 0.00 H new ATOM 384 N LEU A 36 5.807 -5.024 -18.662 1.00 0.00 N ATOM 385 CA LEU A 36 5.797 -6.088 -17.625 1.00 0.00 C ATOM 386 C LEU A 36 4.469 -6.880 -17.600 1.00 0.00 C ATOM 387 O LEU A 36 3.744 -6.905 -16.609 1.00 0.00 O ATOM 388 CB LEU A 36 6.188 -5.505 -16.241 1.00 0.00 C ATOM 389 CG LEU A 36 5.304 -4.521 -15.434 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.190 -3.801 -16.202 1.00 0.00 C ATOM 391 CD2 LEU A 36 4.762 -5.205 -14.177 1.00 0.00 C ATOM 0 H LEU A 36 4.884 -4.860 -19.065 1.00 0.00 H new ATOM 0 HA LEU A 36 6.557 -6.822 -17.891 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.364 -6.361 -15.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.148 -5.008 -16.380 1.00 0.00 H new ATOM 0 HG LEU A 36 5.981 -3.709 -15.168 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.647 -3.143 -15.524 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.626 -3.211 -17.008 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.503 -4.536 -16.622 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.143 -4.503 -13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.163 -6.070 -14.463 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.594 -5.531 -13.552 1.00 0.00 H new ATOM 393 N ASN A 37 4.070 -7.362 -18.780 1.00 0.00 N ATOM 394 CA ASN A 37 2.755 -8.007 -19.051 1.00 0.00 C ATOM 395 C ASN A 37 1.519 -7.089 -18.849 1.00 0.00 C ATOM 396 O ASN A 37 0.395 -7.464 -19.177 1.00 0.00 O ATOM 397 CB ASN A 37 2.627 -9.302 -18.227 1.00 0.00 C ATOM 398 CG ASN A 37 1.918 -10.458 -18.946 1.00 0.00 C ATOM 399 OD1 ASN A 37 2.442 -11.555 -19.074 1.00 0.00 O ATOM 400 ND2 ASN A 37 0.735 -10.230 -19.472 1.00 0.00 N ATOM 0 H ASN A 37 4.663 -7.319 -19.609 1.00 0.00 H new ATOM 0 HA ASN A 37 2.750 -8.238 -20.116 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.625 -9.631 -17.937 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.086 -9.078 -17.308 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.255 -10.968 -19.987 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.297 -9.315 -19.365 1.00 0.00 H new ATOM 404 N ASP A 38 1.769 -5.870 -18.368 1.00 0.00 N ATOM 405 CA ASP A 38 0.804 -4.785 -18.076 1.00 0.00 C ATOM 406 C ASP A 38 -0.142 -5.178 -16.921 1.00 0.00 C ATOM 407 O ASP A 38 -1.346 -5.366 -17.089 1.00 0.00 O ATOM 408 CB ASP A 38 0.049 -4.348 -19.345 1.00 0.00 C ATOM 409 CG ASP A 38 -0.679 -3.000 -19.221 1.00 0.00 C ATOM 410 OD1 ASP A 38 -1.011 -2.596 -18.085 1.00 0.00 O ATOM 411 OD2 ASP A 38 -0.841 -2.363 -20.286 1.00 0.00 O ATOM 0 H ASP A 38 2.724 -5.584 -18.152 1.00 0.00 H new ATOM 0 HA ASP A 38 1.364 -3.913 -17.737 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.757 -4.290 -20.172 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.679 -5.117 -19.603 1.00 0.00 H new ATOM 413 N SER A 39 0.486 -5.303 -15.755 1.00 0.00 N ATOM 414 CA SER A 39 -0.180 -5.647 -14.476 1.00 0.00 C ATOM 415 C SER A 39 0.658 -5.208 -13.243 1.00 0.00 C ATOM 416 O SER A 39 0.972 -6.021 -12.368 1.00 0.00 O ATOM 417 CB SER A 39 -0.477 -7.156 -14.487 1.00 0.00 C ATOM 418 OG SER A 39 0.719 -7.901 -14.743 1.00 0.00 O ATOM 0 H SER A 39 1.492 -5.168 -15.658 1.00 0.00 H new ATOM 0 HA SER A 39 -1.117 -5.097 -14.386 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.901 -7.456 -13.529 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.222 -7.380 -15.250 1.00 0.00 H new ATOM 0 HG SER A 39 0.513 -8.859 -14.745 1.00 0.00 H new ATOM 421 N PRO A 40 0.971 -3.903 -13.124 1.00 0.00 N ATOM 422 CA PRO A 40 1.911 -3.367 -12.115 1.00 0.00 C ATOM 423 C PRO A 40 1.263 -3.236 -10.719 1.00 0.00 C ATOM 424 O PRO A 40 0.229 -3.842 -10.437 1.00 0.00 O ATOM 425 CB PRO A 40 2.312 -1.992 -12.673 1.00 0.00 C ATOM 426 CG PRO A 40 1.687 -1.894 -14.063 1.00 0.00 C ATOM 427 CD PRO A 40 0.460 -2.791 -13.946 1.00 0.00 C ATOM 0 HA PRO A 40 2.763 -4.029 -11.963 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.952 -1.191 -12.028 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.396 -1.895 -12.727 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.416 -0.868 -14.313 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.369 -2.241 -14.839 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.375 -2.280 -13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.109 -3.131 -14.920 1.00 0.00 H new ATOM 428 N LEU A 41 1.869 -2.398 -9.877 1.00 0.00 N ATOM 429 CA LEU A 41 1.326 -2.017 -8.558 1.00 0.00 C ATOM 430 C LEU A 41 0.859 -0.554 -8.637 1.00 0.00 C ATOM 431 O LEU A 41 1.682 0.361 -8.638 1.00 0.00 O ATOM 432 CB LEU A 41 2.419 -2.203 -7.491 1.00 0.00 C ATOM 433 CG LEU A 41 1.934 -2.196 -6.031 1.00 0.00 C ATOM 434 CD1 LEU A 41 3.014 -2.827 -5.153 1.00 0.00 C ATOM 435 CD2 LEU A 41 1.627 -0.795 -5.488 1.00 0.00 C ATOM 0 H LEU A 41 2.763 -1.955 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 41 0.478 -2.644 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.929 -3.147 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.158 -1.411 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 41 1.001 -2.759 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.683 -2.829 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.194 -3.852 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.936 -2.251 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.291 -0.871 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.527 -0.182 -5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.844 -0.335 -6.091 1.00 0.00 H new ATOM 437 N LYS A 42 -0.451 -0.376 -8.761 1.00 0.00 N ATOM 438 CA LYS A 42 -1.052 0.970 -8.810 1.00 0.00 C ATOM 439 C LYS A 42 -1.984 1.269 -7.629 1.00 0.00 C ATOM 440 O LYS A 42 -2.828 0.462 -7.231 1.00 0.00 O ATOM 441 CB LYS A 42 -1.725 1.292 -10.154 1.00 0.00 C ATOM 442 CG LYS A 42 -3.008 0.522 -10.490 1.00 0.00 C ATOM 443 CD LYS A 42 -4.169 1.475 -10.812 1.00 0.00 C ATOM 444 CE LYS A 42 -3.990 2.261 -12.116 1.00 0.00 C ATOM 445 NZ LYS A 42 -5.151 3.125 -12.379 1.00 0.00 N ATOM 0 H LYS A 42 -1.124 -1.139 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.203 1.647 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.954 2.357 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.001 1.108 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.827 -0.134 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.282 -0.115 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.092 0.899 -10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.286 2.180 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.087 2.869 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.854 1.568 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.003 3.645 -13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.008 2.541 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.265 3.801 -11.597 1.00 0.00 H new ATOM 450 N PHE A 43 -1.710 2.421 -7.036 1.00 0.00 N ATOM 451 CA PHE A 43 -2.510 2.973 -5.929 1.00 0.00 C ATOM 452 C PHE A 43 -3.096 4.355 -6.257 1.00 0.00 C ATOM 453 O PHE A 43 -2.389 5.287 -6.639 1.00 0.00 O ATOM 454 CB PHE A 43 -1.652 2.975 -4.658 1.00 0.00 C ATOM 455 CG PHE A 43 -2.198 3.843 -3.519 1.00 0.00 C ATOM 456 CD1 PHE A 43 -3.072 3.339 -2.565 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.696 5.129 -3.392 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.403 4.108 -1.456 1.00 0.00 C ATOM 459 CE2 PHE A 43 -2.034 5.905 -2.293 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.875 5.387 -1.319 1.00 0.00 C ATOM 0 H PHE A 43 -0.922 3.011 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.381 2.338 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.554 1.950 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.650 3.321 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.493 2.352 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.040 5.528 -4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.069 3.713 -0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.644 6.908 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.121 5.980 -0.450 1.00 0.00 H new ATOM 467 N ILE A 44 -4.373 4.449 -5.910 1.00 0.00 N ATOM 468 CA ILE A 44 -5.224 5.645 -6.090 1.00 0.00 C ATOM 469 C ILE A 44 -5.540 6.242 -4.703 1.00 0.00 C ATOM 470 O ILE A 44 -5.619 5.543 -3.687 1.00 0.00 O ATOM 471 CB ILE A 44 -6.559 5.333 -6.798 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.494 4.145 -7.775 1.00 0.00 C ATOM 473 CG2 ILE A 44 -6.994 6.583 -7.581 1.00 0.00 C ATOM 474 CD1 ILE A 44 -7.854 3.459 -7.945 1.00 0.00 C ATOM 0 H ILE A 44 -4.874 3.672 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.671 6.343 -6.719 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.269 5.056 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.141 4.494 -8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.766 3.419 -7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.937 6.384 -8.090 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.123 7.418 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.231 6.835 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.757 2.628 -8.643 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.196 3.085 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.577 4.176 -8.333 1.00 0.00 H new ATOM 476 N LEU A 45 -5.890 7.520 -4.735 1.00 0.00 N ATOM 477 CA LEU A 45 -6.164 8.332 -3.539 1.00 0.00 C ATOM 478 C LEU A 45 -7.582 8.915 -3.652 1.00 0.00 C ATOM 479 O LEU A 45 -7.918 9.466 -4.697 1.00 0.00 O ATOM 480 CB LEU A 45 -5.087 9.424 -3.506 1.00 0.00 C ATOM 481 CG LEU A 45 -4.674 9.813 -2.084 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.160 10.008 -2.021 1.00 0.00 C ATOM 483 CD2 LEU A 45 -5.395 11.085 -1.630 1.00 0.00 C ATOM 0 H LEU A 45 -5.996 8.040 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.128 7.756 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.209 9.078 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.457 10.308 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.960 9.007 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.871 10.285 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.662 9.080 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.866 10.799 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.083 11.338 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.144 11.905 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.472 10.918 -1.647 1.00 0.00 H new ATOM 485 N SER A 46 -8.427 8.525 -2.693 1.00 0.00 N ATOM 486 CA SER A 46 -9.828 8.986 -2.488 1.00 0.00 C ATOM 487 C SER A 46 -10.836 8.248 -3.398 1.00 0.00 C ATOM 488 O SER A 46 -10.543 7.171 -3.912 1.00 0.00 O ATOM 489 CB SER A 46 -9.963 10.525 -2.597 1.00 0.00 C ATOM 490 OG SER A 46 -10.216 10.982 -3.933 1.00 0.00 O ATOM 0 H SER A 46 -8.148 7.839 -1.991 1.00 0.00 H new ATOM 0 HA SER A 46 -10.087 8.720 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.773 10.858 -1.948 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.048 10.989 -2.229 1.00 0.00 H new ATOM 0 HG SER A 46 -9.548 10.602 -4.541 1.00 0.00 H new ATOM 493 N THR A 47 -12.062 8.776 -3.467 1.00 0.00 N ATOM 494 CA THR A 47 -13.107 8.394 -4.446 1.00 0.00 C ATOM 495 C THR A 47 -13.561 6.926 -4.242 1.00 0.00 C ATOM 496 O THR A 47 -13.787 6.514 -3.102 1.00 0.00 O ATOM 497 CB THR A 47 -12.626 8.763 -5.875 1.00 0.00 C ATOM 498 OG1 THR A 47 -12.012 10.059 -5.874 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.787 8.852 -6.873 1.00 0.00 C ATOM 0 H THR A 47 -12.373 9.506 -2.826 1.00 0.00 H new ATOM 0 HA THR A 47 -14.021 8.965 -4.284 1.00 0.00 H new ATOM 0 HB THR A 47 -11.932 7.976 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.311 10.088 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.401 9.113 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.296 7.890 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.491 9.617 -6.545 1.00 0.00 H new ATOM 502 N SER A 48 -13.817 6.186 -5.325 1.00 0.00 N ATOM 503 CA SER A 48 -14.371 4.808 -5.318 1.00 0.00 C ATOM 504 C SER A 48 -15.579 4.606 -4.381 1.00 0.00 C ATOM 505 O SER A 48 -15.677 3.627 -3.642 1.00 0.00 O ATOM 506 CB SER A 48 -13.262 3.779 -5.054 1.00 0.00 C ATOM 507 OG SER A 48 -12.339 3.801 -6.146 1.00 0.00 O ATOM 0 H SER A 48 -13.642 6.532 -6.268 1.00 0.00 H new ATOM 0 HA SER A 48 -14.773 4.644 -6.318 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.748 4.010 -4.121 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.691 2.783 -4.943 1.00 0.00 H new ATOM 0 HG SER A 48 -11.626 3.148 -5.985 1.00 0.00 H new ATOM 510 N ASP A 49 -16.500 5.570 -4.447 1.00 0.00 N ATOM 511 CA ASP A 49 -17.687 5.711 -3.570 1.00 0.00 C ATOM 512 C ASP A 49 -17.302 5.963 -2.097 1.00 0.00 C ATOM 513 O ASP A 49 -17.403 7.093 -1.632 1.00 0.00 O ATOM 514 CB ASP A 49 -18.685 4.549 -3.724 1.00 0.00 C ATOM 515 CG ASP A 49 -19.231 4.404 -5.151 1.00 0.00 C ATOM 516 OD1 ASP A 49 -19.452 5.451 -5.800 1.00 0.00 O ATOM 517 OD2 ASP A 49 -19.349 3.241 -5.589 1.00 0.00 O ATOM 0 H ASP A 49 -16.445 6.314 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.210 6.604 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.197 3.619 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -19.518 4.701 -3.037 1.00 0.00 H new ATOM 519 N ASP A 50 -16.823 4.924 -1.417 1.00 0.00 N ATOM 520 CA ASP A 50 -16.360 5.015 -0.016 1.00 0.00 C ATOM 521 C ASP A 50 -14.988 4.334 0.202 1.00 0.00 C ATOM 522 O ASP A 50 -14.620 4.025 1.332 1.00 0.00 O ATOM 523 CB ASP A 50 -17.452 4.406 0.873 1.00 0.00 C ATOM 524 CG ASP A 50 -17.471 5.025 2.273 1.00 0.00 C ATOM 525 OD1 ASP A 50 -18.144 6.070 2.413 1.00 0.00 O ATOM 526 OD2 ASP A 50 -16.864 4.420 3.182 1.00 0.00 O ATOM 0 H ASP A 50 -16.741 3.988 -1.815 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.199 6.060 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.424 4.549 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.293 3.331 0.955 1.00 0.00 H new ATOM 528 N SER A 51 -14.164 4.325 -0.851 1.00 0.00 N ATOM 529 CA SER A 51 -12.860 3.612 -0.938 1.00 0.00 C ATOM 530 C SER A 51 -12.939 2.105 -0.583 1.00 0.00 C ATOM 531 O SER A 51 -14.014 1.518 -0.661 1.00 0.00 O ATOM 532 CB SER A 51 -11.794 4.341 -0.106 1.00 0.00 C ATOM 533 OG SER A 51 -11.972 4.079 1.290 1.00 0.00 O ATOM 0 H SER A 51 -14.385 4.832 -1.708 1.00 0.00 H new ATOM 0 HA SER A 51 -12.565 3.636 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.800 4.019 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.854 5.414 -0.290 1.00 0.00 H new ATOM 0 HG SER A 51 -12.894 3.791 1.454 1.00 0.00 H new ATOM 536 N ASP A 52 -11.783 1.473 -0.361 1.00 0.00 N ATOM 537 CA ASP A 52 -11.707 0.059 0.077 1.00 0.00 C ATOM 538 C ASP A 52 -10.822 -0.192 1.323 1.00 0.00 C ATOM 539 O ASP A 52 -11.143 -1.036 2.158 1.00 0.00 O ATOM 540 CB ASP A 52 -11.272 -0.804 -1.116 1.00 0.00 C ATOM 541 CG ASP A 52 -11.615 -2.294 -0.989 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.272 -2.665 0.007 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.151 -3.030 -1.888 1.00 0.00 O ATOM 0 H ASP A 52 -10.872 1.917 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.705 -0.226 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.740 -0.413 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.195 -0.703 -1.246 1.00 0.00 H new ATOM 545 N TYR A 53 -9.662 0.462 1.373 1.00 0.00 N ATOM 546 CA TYR A 53 -8.764 0.434 2.549 1.00 0.00 C ATOM 547 C TYR A 53 -9.143 1.530 3.557 1.00 0.00 C ATOM 548 O TYR A 53 -9.340 2.667 3.149 1.00 0.00 O ATOM 549 CB TYR A 53 -7.328 0.715 2.098 1.00 0.00 C ATOM 550 CG TYR A 53 -6.402 -0.502 2.129 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.433 -1.398 3.189 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.580 -0.756 1.040 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.708 -2.579 3.127 1.00 0.00 C ATOM 554 CE2 TYR A 53 -4.840 -1.927 0.985 1.00 0.00 C ATOM 555 CZ TYR A 53 -4.954 -2.870 1.998 1.00 0.00 C ATOM 556 OH TYR A 53 -4.768 -4.169 1.669 1.00 0.00 O ATOM 0 H TYR A 53 -9.309 1.030 0.603 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.855 -0.548 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.351 1.112 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.906 1.492 2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.024 -1.175 4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.517 -0.040 0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.730 -3.271 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.174 -2.106 0.154 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.223 -4.226 0.857 1.00 0.00 H new ATOM 563 N ILE A 54 -9.099 1.193 4.842 1.00 0.00 N ATOM 564 CA ILE A 54 -9.252 2.172 5.943 1.00 0.00 C ATOM 565 C ILE A 54 -7.958 2.279 6.778 1.00 0.00 C ATOM 566 O ILE A 54 -7.457 1.296 7.324 1.00 0.00 O ATOM 567 CB ILE A 54 -10.515 1.901 6.789 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.812 3.120 7.680 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.428 0.605 7.614 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.234 3.153 8.252 1.00 0.00 C ATOM 0 H ILE A 54 -8.957 0.235 5.163 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.410 3.155 5.500 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.344 1.748 6.099 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.101 3.134 8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.645 4.028 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.347 0.475 8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.293 -0.244 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.582 0.665 8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.358 4.044 8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.955 3.173 7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.402 2.265 8.861 1.00 0.00 H new ATOM 572 N CYS A 55 -7.329 3.443 6.661 1.00 0.00 N ATOM 573 CA CYS A 55 -6.113 3.791 7.420 1.00 0.00 C ATOM 574 C CYS A 55 -6.414 3.764 8.925 1.00 0.00 C ATOM 575 O CYS A 55 -7.390 4.350 9.388 1.00 0.00 O ATOM 576 CB CYS A 55 -5.524 5.134 6.953 1.00 0.00 C ATOM 577 SG CYS A 55 -6.007 6.673 7.826 1.00 0.00 S ATOM 0 H CYS A 55 -7.644 4.184 6.034 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.344 3.044 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.438 5.053 7.007 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.783 5.258 5.901 1.00 0.00 H new ATOM 579 N LYS A 56 -5.602 2.978 9.613 1.00 0.00 N ATOM 580 CA LYS A 56 -5.700 2.819 11.080 1.00 0.00 C ATOM 581 C LYS A 56 -4.739 3.758 11.827 1.00 0.00 C ATOM 582 O LYS A 56 -5.177 4.536 12.669 1.00 0.00 O ATOM 583 CB LYS A 56 -5.438 1.356 11.450 1.00 0.00 C ATOM 584 CG LYS A 56 -6.565 0.435 10.965 1.00 0.00 C ATOM 585 CD LYS A 56 -6.138 -1.037 10.950 1.00 0.00 C ATOM 586 CE LYS A 56 -5.991 -1.711 12.319 1.00 0.00 C ATOM 587 NZ LYS A 56 -7.278 -1.878 13.013 1.00 0.00 N ATOM 0 H LYS A 56 -4.856 2.429 9.186 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.708 3.096 11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.492 1.034 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.336 1.267 12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.434 0.554 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.871 0.734 9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.867 -1.600 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.185 -1.112 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.523 -2.687 12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.322 -1.117 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.120 -2.338 13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.715 -0.946 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.910 -2.468 12.435 1.00 0.00 H new ATOM 592 N TYR A 57 -3.476 3.765 11.399 1.00 0.00 N ATOM 593 CA TYR A 57 -2.387 4.568 12.013 1.00 0.00 C ATOM 594 C TYR A 57 -1.061 4.479 11.235 1.00 0.00 C ATOM 595 O TYR A 57 -0.854 3.552 10.452 1.00 0.00 O ATOM 596 CB TYR A 57 -2.149 4.179 13.484 1.00 0.00 C ATOM 597 CG TYR A 57 -1.756 2.714 13.727 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.731 1.732 13.865 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.416 2.365 13.818 1.00 0.00 C ATOM 600 CE1 TYR A 57 -2.370 0.406 14.060 1.00 0.00 C ATOM 601 CE2 TYR A 57 -0.047 1.042 14.020 1.00 0.00 C ATOM 602 CZ TYR A 57 -1.024 0.059 14.126 1.00 0.00 C ATOM 603 OH TYR A 57 -0.650 -1.243 14.181 1.00 0.00 O ATOM 0 H TYR A 57 -3.163 3.208 10.604 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.730 5.602 11.968 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.365 4.819 13.888 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.057 4.392 14.049 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.776 2.003 13.820 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.344 3.127 13.731 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.131 -0.354 14.160 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.997 0.777 14.095 1.00 0.00 H new ATOM 0 HH TYR A 57 0.327 -1.301 14.222 1.00 0.00 H new ATOM 610 N ILE A 58 -0.293 5.559 11.303 1.00 0.00 N ATOM 611 CA ILE A 58 1.115 5.576 10.840 1.00 0.00 C ATOM 612 C ILE A 58 2.048 4.825 11.815 1.00 0.00 C ATOM 613 O ILE A 58 1.838 4.802 13.024 1.00 0.00 O ATOM 614 CB ILE A 58 1.603 7.017 10.586 1.00 0.00 C ATOM 615 CG1 ILE A 58 2.985 7.047 9.918 1.00 0.00 C ATOM 616 CG2 ILE A 58 1.628 7.882 11.857 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.962 6.630 8.447 1.00 0.00 C ATOM 0 H ILE A 58 -0.614 6.452 11.677 1.00 0.00 H new ATOM 0 HA ILE A 58 1.151 5.043 9.890 1.00 0.00 H new ATOM 0 HB ILE A 58 0.869 7.448 9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.395 8.054 9.995 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.658 6.386 10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.981 8.883 11.609 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.623 7.944 12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.298 7.433 12.590 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.972 6.675 8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.582 5.612 8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.315 7.306 7.887 1.00 0.00 H new ATOM 619 N ASN A 59 3.063 4.196 11.244 1.00 0.00 N ATOM 620 CA ASN A 59 4.154 3.540 11.989 1.00 0.00 C ATOM 621 C ASN A 59 5.442 4.356 11.796 1.00 0.00 C ATOM 622 O ASN A 59 6.151 4.245 10.792 1.00 0.00 O ATOM 623 CB ASN A 59 4.359 2.103 11.494 1.00 0.00 C ATOM 624 CG ASN A 59 3.176 1.137 11.665 1.00 0.00 C ATOM 625 OD1 ASN A 59 3.349 -0.072 11.657 1.00 0.00 O ATOM 626 ND2 ASN A 59 1.964 1.636 11.761 1.00 0.00 N ATOM 0 H ASN A 59 3.164 4.119 10.232 1.00 0.00 H new ATOM 0 HA ASN A 59 3.896 3.497 13.047 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.616 2.142 10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.219 1.683 12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.160 1.012 11.830 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.828 2.647 11.767 1.00 0.00 H new ATOM 630 N THR A 60 5.643 5.255 12.753 1.00 0.00 N ATOM 631 CA THR A 60 6.825 6.144 12.873 1.00 0.00 C ATOM 632 C THR A 60 8.120 5.413 13.283 1.00 0.00 C ATOM 633 O THR A 60 8.886 5.854 14.136 1.00 0.00 O ATOM 634 CB THR A 60 6.519 7.312 13.821 1.00 0.00 C ATOM 635 OG1 THR A 60 5.722 6.859 14.922 1.00 0.00 O ATOM 636 CG2 THR A 60 5.842 8.464 13.073 1.00 0.00 C ATOM 0 H THR A 60 4.968 5.401 13.504 1.00 0.00 H new ATOM 0 HA THR A 60 7.020 6.533 11.873 1.00 0.00 H new ATOM 0 HB THR A 60 7.459 7.694 14.218 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.534 7.611 15.521 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.636 9.278 13.768 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.501 8.821 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.906 8.114 12.637 1.00 0.00 H new ATOM 639 N GLU A 61 8.347 4.312 12.578 1.00 0.00 N ATOM 640 CA GLU A 61 9.520 3.429 12.730 1.00 0.00 C ATOM 641 C GLU A 61 10.287 3.384 11.393 1.00 0.00 C ATOM 642 O GLU A 61 11.431 3.812 11.309 1.00 0.00 O ATOM 643 CB GLU A 61 9.030 2.032 13.129 1.00 0.00 C ATOM 644 CG GLU A 61 10.080 1.242 13.921 1.00 0.00 C ATOM 645 CD GLU A 61 10.223 1.725 15.372 1.00 0.00 C ATOM 646 OE1 GLU A 61 9.175 2.003 16.000 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.383 1.786 15.831 1.00 0.00 O ATOM 0 H GLU A 61 7.703 3.989 11.856 1.00 0.00 H new ATOM 0 HA GLU A 61 10.192 3.802 13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.124 2.126 13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.762 1.475 12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.810 0.186 13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.044 1.325 13.419 1.00 0.00 H new ATOM 649 N HIS A 62 9.589 2.928 10.355 1.00 0.00 N ATOM 650 CA HIS A 62 10.100 2.893 8.970 1.00 0.00 C ATOM 651 C HIS A 62 9.186 3.675 8.004 1.00 0.00 C ATOM 652 O HIS A 62 8.717 3.135 7.009 1.00 0.00 O ATOM 653 CB HIS A 62 10.225 1.418 8.569 1.00 0.00 C ATOM 654 CG HIS A 62 11.666 0.989 8.287 1.00 0.00 C ATOM 655 ND1 HIS A 62 12.049 0.289 7.223 1.00 0.00 N ATOM 656 CD2 HIS A 62 12.708 1.082 9.111 1.00 0.00 C ATOM 657 CE1 HIS A 62 13.323 -0.053 7.389 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.729 0.439 8.555 1.00 0.00 N ATOM 0 H HIS A 62 8.640 2.566 10.444 1.00 0.00 H new ATOM 0 HA HIS A 62 11.072 3.382 8.913 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.817 0.796 9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.619 1.237 7.681 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.721 1.591 10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.922 -0.629 6.699 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.663 0.340 8.954 1.00 0.00 H new ATOM 661 N LYS A 63 8.820 4.893 8.411 1.00 0.00 N ATOM 662 CA LYS A 63 7.897 5.819 7.700 1.00 0.00 C ATOM 663 C LYS A 63 6.732 5.178 6.899 1.00 0.00 C ATOM 664 O LYS A 63 6.278 5.702 5.881 1.00 0.00 O ATOM 665 CB LYS A 63 8.690 6.824 6.844 1.00 0.00 C ATOM 666 CG LYS A 63 9.539 7.783 7.684 1.00 0.00 C ATOM 667 CD LYS A 63 9.851 9.119 6.991 1.00 0.00 C ATOM 668 CE LYS A 63 11.044 9.141 6.023 1.00 0.00 C ATOM 669 NZ LYS A 63 10.766 8.579 4.693 1.00 0.00 N ATOM 0 H LYS A 63 9.168 5.291 9.283 1.00 0.00 H new ATOM 0 HA LYS A 63 7.376 6.337 8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.338 6.278 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.995 7.401 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.020 7.985 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.478 7.291 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.963 9.431 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.027 9.868 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.379 10.171 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.869 8.587 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.623 8.634 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.476 7.585 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.002 9.120 4.240 1.00 0.00 H new ATOM 674 N GLN A 64 6.086 4.198 7.525 1.00 0.00 N ATOM 675 CA GLN A 64 5.113 3.303 6.855 1.00 0.00 C ATOM 676 C GLN A 64 3.711 3.351 7.482 1.00 0.00 C ATOM 677 O GLN A 64 3.586 3.592 8.677 1.00 0.00 O ATOM 678 CB GLN A 64 5.643 1.864 6.850 1.00 0.00 C ATOM 679 CG GLN A 64 5.860 1.222 8.224 1.00 0.00 C ATOM 680 CD GLN A 64 6.349 -0.218 8.066 1.00 0.00 C ATOM 681 OE1 GLN A 64 7.528 -0.522 8.156 1.00 0.00 O ATOM 682 NE2 GLN A 64 5.429 -1.138 7.868 1.00 0.00 N ATOM 0 H GLN A 64 6.215 3.991 8.516 1.00 0.00 H new ATOM 0 HA GLN A 64 5.006 3.665 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.946 1.243 6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.590 1.849 6.311 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.589 1.800 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.929 1.237 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.447 -0.870 7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.697 -2.119 7.788 1.00 0.00 H new ATOM 686 N LEU A 65 2.697 2.988 6.705 1.00 0.00 N ATOM 687 CA LEU A 65 1.298 3.031 7.183 1.00 0.00 C ATOM 688 C LEU A 65 0.707 1.625 7.389 1.00 0.00 C ATOM 689 O LEU A 65 1.011 0.696 6.641 1.00 0.00 O ATOM 690 CB LEU A 65 0.431 3.810 6.185 1.00 0.00 C ATOM 691 CG LEU A 65 -1.001 4.051 6.683 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.045 5.170 7.722 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.939 4.356 5.520 1.00 0.00 C ATOM 0 H LEU A 65 2.804 2.661 5.745 1.00 0.00 H new ATOM 0 HA LEU A 65 1.302 3.532 8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.902 4.771 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.393 3.263 5.243 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.342 3.134 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.072 5.317 8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.422 4.900 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.672 6.093 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.947 4.523 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.595 5.250 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.947 3.514 4.828 1.00 0.00 H new ATOM 695 N THR A 66 -0.118 1.533 8.429 1.00 0.00 N ATOM 696 CA THR A 66 -0.984 0.363 8.711 1.00 0.00 C ATOM 697 C THR A 66 -2.460 0.706 8.463 1.00 0.00 C ATOM 698 O THR A 66 -3.008 1.640 9.057 1.00 0.00 O ATOM 699 CB THR A 66 -0.873 -0.153 10.151 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.002 0.917 11.081 1.00 0.00 O ATOM 701 CG2 THR A 66 0.437 -0.887 10.410 1.00 0.00 C ATOM 0 H THR A 66 -0.214 2.277 9.120 1.00 0.00 H new ATOM 0 HA THR A 66 -0.633 -0.416 8.034 1.00 0.00 H new ATOM 0 HB THR A 66 -1.689 -0.863 10.286 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.841 0.583 11.988 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.463 -1.231 11.444 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.512 -1.744 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.274 -0.212 10.231 1.00 0.00 H new ATOM 704 N LEU A 67 -3.028 -0.040 7.525 1.00 0.00 N ATOM 705 CA LEU A 67 -4.448 0.052 7.116 1.00 0.00 C ATOM 706 C LEU A 67 -5.139 -1.314 6.955 1.00 0.00 C ATOM 707 O LEU A 67 -4.523 -2.279 6.513 1.00 0.00 O ATOM 708 CB LEU A 67 -4.638 0.903 5.846 1.00 0.00 C ATOM 709 CG LEU A 67 -3.521 0.956 4.790 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.169 -0.403 4.188 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.959 1.900 3.669 1.00 0.00 C ATOM 0 H LEU A 67 -2.511 -0.749 7.005 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.940 0.557 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.540 0.548 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.832 1.927 6.166 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.622 1.309 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.374 -0.280 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.833 -1.075 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.049 -0.825 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.178 1.950 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.879 1.528 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.132 2.895 4.078 1.00 0.00 H new ATOM 713 N TYR A 68 -6.440 -1.330 7.221 1.00 0.00 N ATOM 714 CA TYR A 68 -7.288 -2.535 7.107 1.00 0.00 C ATOM 715 C TYR A 68 -8.271 -2.417 5.929 1.00 0.00 C ATOM 716 O TYR A 68 -8.880 -1.376 5.703 1.00 0.00 O ATOM 717 CB TYR A 68 -7.967 -2.782 8.463 1.00 0.00 C ATOM 718 CG TYR A 68 -9.402 -3.326 8.466 1.00 0.00 C ATOM 719 CD1 TYR A 68 -9.752 -4.454 7.737 1.00 0.00 C ATOM 720 CD2 TYR A 68 -10.387 -2.579 9.093 1.00 0.00 C ATOM 721 CE1 TYR A 68 -11.084 -4.820 7.620 1.00 0.00 C ATOM 722 CE2 TYR A 68 -11.721 -2.942 8.983 1.00 0.00 C ATOM 723 CZ TYR A 68 -12.067 -4.074 8.258 1.00 0.00 C ATOM 724 OH TYR A 68 -13.357 -4.483 8.229 1.00 0.00 O ATOM 0 H TYR A 68 -6.952 -0.502 7.526 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.681 -3.410 6.875 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.345 -3.479 9.025 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.966 -1.840 9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.986 -5.047 7.260 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.114 -1.709 9.671 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.357 -5.685 7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.487 -2.347 9.459 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.391 -5.462 8.270 1.00 0.00 H new ATOM 731 N ASN A 69 -8.293 -3.468 5.122 1.00 0.00 N ATOM 732 CA ASN A 69 -9.153 -3.557 3.927 1.00 0.00 C ATOM 733 C ASN A 69 -10.534 -4.153 4.255 1.00 0.00 C ATOM 734 O ASN A 69 -10.665 -5.335 4.577 1.00 0.00 O ATOM 735 CB ASN A 69 -8.433 -4.378 2.859 1.00 0.00 C ATOM 736 CG ASN A 69 -9.043 -4.187 1.470 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.248 -4.210 1.270 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.192 -4.009 0.490 1.00 0.00 N ATOM 0 H ASN A 69 -7.714 -4.295 5.270 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.336 -2.551 3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.381 -4.094 2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.472 -5.434 3.128 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.531 -3.886 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.190 -3.993 0.681 1.00 0.00 H new ATOM 742 N LYS A 70 -11.531 -3.316 4.000 1.00 0.00 N ATOM 743 CA LYS A 70 -12.945 -3.595 4.337 1.00 0.00 C ATOM 744 C LYS A 70 -13.712 -4.463 3.314 1.00 0.00 C ATOM 745 O LYS A 70 -14.854 -4.838 3.560 1.00 0.00 O ATOM 746 CB LYS A 70 -13.680 -2.276 4.604 1.00 0.00 C ATOM 747 CG LYS A 70 -13.076 -1.527 5.800 1.00 0.00 C ATOM 748 CD LYS A 70 -13.810 -0.226 6.148 1.00 0.00 C ATOM 749 CE LYS A 70 -15.133 -0.431 6.898 1.00 0.00 C ATOM 750 NZ LYS A 70 -14.942 -1.057 8.218 1.00 0.00 N ATOM 0 H LYS A 70 -11.393 -2.412 3.549 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.919 -4.208 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.632 -1.645 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.734 -2.478 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.086 -2.183 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.032 -1.298 5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.154 0.397 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.008 0.323 5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.628 0.532 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.795 -1.054 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.813 -0.960 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.720 -2.066 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.158 -0.588 8.714 1.00 0.00 H new ATOM 755 N ASN A 71 -13.036 -4.870 2.236 1.00 0.00 N ATOM 756 CA ASN A 71 -13.609 -5.757 1.194 1.00 0.00 C ATOM 757 C ASN A 71 -13.816 -7.231 1.609 1.00 0.00 C ATOM 758 O ASN A 71 -14.450 -7.996 0.883 1.00 0.00 O ATOM 759 CB ASN A 71 -12.706 -5.723 -0.043 1.00 0.00 C ATOM 760 CG ASN A 71 -13.515 -5.691 -1.342 1.00 0.00 C ATOM 761 OD1 ASN A 71 -13.680 -4.667 -1.991 1.00 0.00 O ATOM 762 ND2 ASN A 71 -14.074 -6.819 -1.714 1.00 0.00 N ATOM 0 H ASN A 71 -12.071 -4.598 2.052 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.606 -5.362 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.060 -4.846 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.056 -6.598 -0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.654 -6.849 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.929 -7.666 -1.164 1.00 0.00 H new ATOM 766 N ASN A 72 -13.120 -7.650 2.663 1.00 0.00 N ATOM 767 CA ASN A 72 -13.090 -9.066 3.096 1.00 0.00 C ATOM 768 C ASN A 72 -13.693 -9.278 4.498 1.00 0.00 C ATOM 769 O ASN A 72 -14.807 -9.775 4.631 1.00 0.00 O ATOM 770 CB ASN A 72 -11.640 -9.562 2.989 1.00 0.00 C ATOM 771 CG ASN A 72 -11.400 -11.047 3.294 1.00 0.00 C ATOM 772 OD1 ASN A 72 -12.093 -11.703 4.056 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.309 -11.574 2.787 1.00 0.00 N ATOM 0 H ASN A 72 -12.559 -7.029 3.246 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.727 -9.659 2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.284 -9.359 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.026 -8.971 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.043 -12.528 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.728 -11.029 2.150 1.00 0.00 H new ATOM 777 N SER A 73 -12.954 -8.826 5.508 1.00 0.00 N ATOM 778 CA SER A 73 -13.252 -9.042 6.942 1.00 0.00 C ATOM 779 C SER A 73 -12.311 -8.190 7.808 1.00 0.00 C ATOM 780 O SER A 73 -12.739 -7.159 8.322 1.00 0.00 O ATOM 781 CB SER A 73 -13.160 -10.530 7.328 1.00 0.00 C ATOM 782 OG SER A 73 -13.299 -10.702 8.742 1.00 0.00 O ATOM 0 H SER A 73 -12.104 -8.282 5.359 1.00 0.00 H new ATOM 0 HA SER A 73 -14.280 -8.729 7.124 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.938 -11.092 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.203 -10.936 7.001 1.00 0.00 H new ATOM 0 HG SER A 73 -13.239 -11.655 8.963 1.00 0.00 H new ATOM 785 N SER A 74 -11.023 -8.548 7.821 1.00 0.00 N ATOM 786 CA SER A 74 -10.019 -7.845 8.654 1.00 0.00 C ATOM 787 C SER A 74 -8.561 -7.908 8.153 1.00 0.00 C ATOM 788 O SER A 74 -7.635 -8.189 8.909 1.00 0.00 O ATOM 789 CB SER A 74 -10.132 -8.394 10.077 1.00 0.00 C ATOM 790 OG SER A 74 -10.438 -7.318 10.964 1.00 0.00 O ATOM 0 H SER A 74 -10.643 -9.317 7.269 1.00 0.00 H new ATOM 0 HA SER A 74 -10.254 -6.782 8.601 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.910 -9.156 10.126 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.198 -8.872 10.372 1.00 0.00 H new ATOM 0 HG SER A 74 -9.626 -6.798 11.140 1.00 0.00 H new ATOM 793 N ILE A 75 -8.337 -7.439 6.929 1.00 0.00 N ATOM 794 CA ILE A 75 -6.995 -7.506 6.298 1.00 0.00 C ATOM 795 C ILE A 75 -6.157 -6.242 6.565 1.00 0.00 C ATOM 796 O ILE A 75 -6.322 -5.225 5.896 1.00 0.00 O ATOM 797 CB ILE A 75 -6.985 -7.806 4.786 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.355 -8.134 4.170 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.992 -8.955 4.560 1.00 0.00 C ATOM 800 CD1 ILE A 75 -8.360 -8.056 2.638 1.00 0.00 C ATOM 0 H ILE A 75 -9.054 -7.008 6.346 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.542 -8.367 6.789 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.687 -6.893 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.655 -9.136 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.099 -7.443 4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.954 -9.200 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.001 -8.651 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.315 -9.831 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.355 -8.298 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.090 -7.048 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.638 -8.767 2.235 1.00 0.00 H new ATOM 802 N VAL A 76 -5.201 -6.387 7.473 1.00 0.00 N ATOM 803 CA VAL A 76 -4.304 -5.296 7.923 1.00 0.00 C ATOM 804 C VAL A 76 -2.993 -5.369 7.116 1.00 0.00 C ATOM 805 O VAL A 76 -2.236 -6.332 7.205 1.00 0.00 O ATOM 806 CB VAL A 76 -3.962 -5.366 9.425 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.312 -4.059 9.899 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.171 -5.677 10.312 1.00 0.00 C ATOM 0 H VAL A 76 -5.012 -7.277 7.934 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.833 -4.358 7.757 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.261 -6.194 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.080 -4.133 10.961 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.394 -3.885 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.000 -3.230 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.858 -5.711 11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.925 -4.900 10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.592 -6.641 10.028 1.00 0.00 H new ATOM 810 N ILE A 77 -2.787 -4.345 6.307 1.00 0.00 N ATOM 811 CA ILE A 77 -1.607 -4.208 5.427 1.00 0.00 C ATOM 812 C ILE A 77 -0.747 -3.025 5.917 1.00 0.00 C ATOM 813 O ILE A 77 -1.261 -1.979 6.319 1.00 0.00 O ATOM 814 CB ILE A 77 -2.099 -4.144 3.961 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.334 -5.547 3.385 1.00 0.00 C ATOM 816 CG2 ILE A 77 -1.181 -3.396 2.988 1.00 0.00 C ATOM 817 CD1 ILE A 77 -3.596 -6.259 3.877 1.00 0.00 C ATOM 0 H ILE A 77 -3.438 -3.564 6.231 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.937 -5.067 5.468 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.026 -3.576 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.381 -5.471 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.471 -6.168 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.619 -3.411 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.065 -2.364 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.205 -3.881 2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.666 -7.241 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.549 -6.376 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.473 -5.668 3.613 1.00 0.00 H new ATOM 819 N GLU A 78 0.551 -3.295 5.983 1.00 0.00 N ATOM 820 CA GLU A 78 1.550 -2.347 6.532 1.00 0.00 C ATOM 821 C GLU A 78 2.637 -2.109 5.472 1.00 0.00 C ATOM 822 O GLU A 78 3.455 -2.993 5.216 1.00 0.00 O ATOM 823 CB GLU A 78 2.219 -2.921 7.791 1.00 0.00 C ATOM 824 CG GLU A 78 1.296 -3.727 8.723 1.00 0.00 C ATOM 825 CD GLU A 78 2.073 -4.601 9.711 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.112 -5.159 9.279 1.00 0.00 O ATOM 827 OE2 GLU A 78 1.569 -4.762 10.840 1.00 0.00 O ATOM 0 H GLU A 78 0.955 -4.174 5.661 1.00 0.00 H new ATOM 0 HA GLU A 78 1.043 -1.418 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.044 -3.562 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.651 -2.097 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.656 -3.040 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.641 -4.358 8.122 1.00 0.00 H new ATOM 829 N ILE A 79 2.562 -0.984 4.764 1.00 0.00 N ATOM 830 CA ILE A 79 3.525 -0.740 3.664 1.00 0.00 C ATOM 831 C ILE A 79 4.369 0.533 3.824 1.00 0.00 C ATOM 832 O ILE A 79 3.850 1.603 4.165 1.00 0.00 O ATOM 833 CB ILE A 79 2.927 -0.880 2.238 1.00 0.00 C ATOM 834 CG1 ILE A 79 2.170 0.328 1.685 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.041 -2.115 2.104 1.00 0.00 C ATOM 836 CD1 ILE A 79 3.101 1.200 0.833 1.00 0.00 C ATOM 0 H ILE A 79 1.876 -0.245 4.914 1.00 0.00 H new ATOM 0 HA ILE A 79 4.225 -1.569 3.768 1.00 0.00 H new ATOM 0 HB ILE A 79 3.826 -0.972 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.326 -0.009 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.762 0.916 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.645 -2.171 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.628 -3.009 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.215 -2.049 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.546 2.055 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.931 1.552 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.488 0.613 0.000 1.00 0.00 H new ATOM 838 N PHE A 80 5.632 0.382 3.427 1.00 0.00 N ATOM 839 CA PHE A 80 6.607 1.490 3.399 1.00 0.00 C ATOM 840 C PHE A 80 6.915 1.909 1.961 1.00 0.00 C ATOM 841 O PHE A 80 7.170 1.091 1.077 1.00 0.00 O ATOM 842 CB PHE A 80 7.920 1.175 4.138 1.00 0.00 C ATOM 843 CG PHE A 80 8.892 2.368 4.279 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.469 3.697 4.197 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.236 2.110 4.528 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.381 4.740 4.300 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.137 3.156 4.703 1.00 0.00 C ATOM 848 CZ PHE A 80 10.714 4.473 4.580 1.00 0.00 C ATOM 0 H PHE A 80 6.016 -0.510 3.114 1.00 0.00 H new ATOM 0 HA PHE A 80 6.131 2.313 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.679 0.803 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.431 0.369 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.421 3.916 4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.583 1.089 4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.052 5.760 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.170 2.943 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.417 5.284 4.701 1.00 0.00 H new ATOM 855 N ILE A 81 6.875 3.227 1.833 1.00 0.00 N ATOM 856 CA ILE A 81 7.085 3.971 0.587 1.00 0.00 C ATOM 857 C ILE A 81 8.120 5.106 0.819 1.00 0.00 C ATOM 858 O ILE A 81 7.801 6.120 1.445 1.00 0.00 O ATOM 859 CB ILE A 81 5.666 4.368 0.140 1.00 0.00 C ATOM 860 CG1 ILE A 81 5.600 4.686 -1.339 1.00 0.00 C ATOM 861 CG2 ILE A 81 4.996 5.453 0.970 1.00 0.00 C ATOM 862 CD1 ILE A 81 5.545 3.360 -2.087 1.00 0.00 C ATOM 0 H ILE A 81 6.687 3.840 2.627 1.00 0.00 H new ATOM 0 HA ILE A 81 7.545 3.416 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 81 5.076 3.471 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.721 5.290 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.471 5.265 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.003 5.656 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.910 5.119 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.595 6.363 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.497 3.549 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.438 2.778 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.661 2.803 -1.776 1.00 0.00 H new ATOM 864 N PRO A 82 9.409 4.808 0.602 1.00 0.00 N ATOM 865 CA PRO A 82 10.496 5.780 0.841 1.00 0.00 C ATOM 866 C PRO A 82 10.689 6.703 -0.377 1.00 0.00 C ATOM 867 O PRO A 82 10.025 7.729 -0.470 1.00 0.00 O ATOM 868 CB PRO A 82 11.729 4.926 1.176 1.00 0.00 C ATOM 869 CG PRO A 82 11.191 3.507 1.364 1.00 0.00 C ATOM 870 CD PRO A 82 9.965 3.454 0.462 1.00 0.00 C ATOM 0 HA PRO A 82 10.282 6.466 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.466 4.965 0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.223 5.284 2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.930 2.759 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.929 3.314 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.230 3.229 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.258 2.689 0.783 1.00 0.00 H new ATOM 871 N ASN A 83 11.606 6.311 -1.261 1.00 0.00 N ATOM 872 CA ASN A 83 12.004 6.907 -2.558 1.00 0.00 C ATOM 873 C ASN A 83 13.204 6.070 -3.061 1.00 0.00 C ATOM 874 O ASN A 83 13.248 4.893 -2.724 1.00 0.00 O ATOM 875 CB ASN A 83 12.321 8.412 -2.454 1.00 0.00 C ATOM 876 CG ASN A 83 12.577 9.048 -3.827 1.00 0.00 C ATOM 877 OD1 ASN A 83 13.631 9.610 -4.072 1.00 0.00 O ATOM 878 ND2 ASN A 83 11.808 8.684 -4.834 1.00 0.00 N ATOM 0 H ASN A 83 12.157 5.473 -1.074 1.00 0.00 H new ATOM 0 HA ASN A 83 11.181 6.869 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.490 8.924 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.197 8.554 -1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.099 8.874 -5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.922 8.212 -4.654 1.00 0.00 H new ATOM 882 N ASP A 84 14.113 6.617 -3.879 1.00 0.00 N ATOM 883 CA ASP A 84 15.303 5.932 -4.442 1.00 0.00 C ATOM 884 C ASP A 84 15.099 4.440 -4.798 1.00 0.00 C ATOM 885 O ASP A 84 15.923 3.582 -4.496 1.00 0.00 O ATOM 886 CB ASP A 84 16.516 6.149 -3.520 1.00 0.00 C ATOM 887 CG ASP A 84 17.844 5.689 -4.144 1.00 0.00 C ATOM 888 OD1 ASP A 84 18.003 5.886 -5.370 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.693 5.199 -3.367 1.00 0.00 O ATOM 0 H ASP A 84 14.044 7.588 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 84 15.491 6.399 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.588 7.207 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.355 5.610 -2.586 1.00 0.00 H new ATOM 891 N ASN A 85 13.949 4.183 -5.422 1.00 0.00 N ATOM 892 CA ASN A 85 13.494 2.857 -5.888 1.00 0.00 C ATOM 893 C ASN A 85 13.415 1.813 -4.752 1.00 0.00 C ATOM 894 O ASN A 85 14.382 1.105 -4.491 1.00 0.00 O ATOM 895 CB ASN A 85 14.399 2.380 -7.046 1.00 0.00 C ATOM 896 CG ASN A 85 14.751 3.472 -8.073 1.00 0.00 C ATOM 897 OD1 ASN A 85 15.847 3.537 -8.602 1.00 0.00 O ATOM 898 ND2 ASN A 85 13.829 4.352 -8.411 1.00 0.00 N ATOM 0 H ASN A 85 13.275 4.920 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 85 12.472 2.962 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.323 1.981 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.903 1.559 -7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.039 5.070 -9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.905 4.314 -7.980 1.00 0.00 H new ATOM 902 N LYS A 86 12.277 1.800 -4.047 1.00 0.00 N ATOM 903 CA LYS A 86 11.949 0.815 -2.977 1.00 0.00 C ATOM 904 C LYS A 86 10.520 0.963 -2.411 1.00 0.00 C ATOM 905 O LYS A 86 9.992 2.069 -2.337 1.00 0.00 O ATOM 906 CB LYS A 86 12.969 0.858 -1.821 1.00 0.00 C ATOM 907 CG LYS A 86 13.219 2.280 -1.301 1.00 0.00 C ATOM 908 CD LYS A 86 14.592 2.467 -0.657 1.00 0.00 C ATOM 909 CE LYS A 86 14.633 1.968 0.786 1.00 0.00 C ATOM 910 NZ LYS A 86 15.885 1.239 1.014 1.00 0.00 N ATOM 0 H LYS A 86 11.535 2.483 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 86 12.004 -0.156 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.610 0.235 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.912 0.428 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.117 2.983 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.449 2.531 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.341 1.935 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.860 3.523 -0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.558 2.809 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.780 1.318 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.915 0.898 1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.938 0.428 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.692 1.873 0.843 1.00 0.00 H new ATOM 915 N ILE A 87 9.894 -0.191 -2.184 1.00 0.00 N ATOM 916 CA ILE A 87 8.571 -0.371 -1.532 1.00 0.00 C ATOM 917 C ILE A 87 8.477 -1.791 -0.928 1.00 0.00 C ATOM 918 O ILE A 87 8.807 -2.783 -1.578 1.00 0.00 O ATOM 919 CB ILE A 87 7.378 -0.090 -2.488 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.016 -0.362 -1.808 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.520 -0.825 -3.829 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.746 -0.111 -2.633 1.00 0.00 C ATOM 0 H ILE A 87 10.308 -1.082 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 87 8.496 0.369 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 87 7.404 0.975 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.005 -1.402 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.960 0.253 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.662 -0.597 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.434 -0.501 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.564 -1.900 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.868 -0.343 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.711 0.935 -2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.756 -0.746 -3.519 1.00 0.00 H new ATOM 924 N LEU A 88 7.930 -1.840 0.282 1.00 0.00 N ATOM 925 CA LEU A 88 7.671 -3.105 1.003 1.00 0.00 C ATOM 926 C LEU A 88 6.184 -3.234 1.376 1.00 0.00 C ATOM 927 O LEU A 88 5.627 -2.333 2.002 1.00 0.00 O ATOM 928 CB LEU A 88 8.536 -3.152 2.267 1.00 0.00 C ATOM 929 CG LEU A 88 9.352 -4.446 2.391 1.00 0.00 C ATOM 930 CD1 LEU A 88 10.370 -4.300 3.522 1.00 0.00 C ATOM 931 CD2 LEU A 88 8.470 -5.668 2.658 1.00 0.00 C ATOM 0 H LEU A 88 7.649 -1.008 0.801 1.00 0.00 H new ATOM 0 HA LEU A 88 7.927 -3.939 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.216 -2.300 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.895 -3.048 3.143 1.00 0.00 H new ATOM 0 HG LEU A 88 9.857 -4.606 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.950 -5.219 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.040 -3.468 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.848 -4.109 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.095 -6.557 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.922 -5.525 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.764 -5.793 1.837 1.00 0.00 H new ATOM 933 N LEU A 89 5.610 -4.378 1.015 1.00 0.00 N ATOM 934 CA LEU A 89 4.176 -4.693 1.230 1.00 0.00 C ATOM 935 C LEU A 89 3.978 -5.912 2.152 1.00 0.00 C ATOM 936 O LEU A 89 4.371 -7.019 1.788 1.00 0.00 O ATOM 937 CB LEU A 89 3.547 -4.934 -0.152 1.00 0.00 C ATOM 938 CG LEU A 89 2.018 -4.777 -0.232 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.625 -4.601 -1.698 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.252 -5.974 0.342 1.00 0.00 C ATOM 0 H LEU A 89 6.123 -5.131 0.558 1.00 0.00 H new ATOM 0 HA LEU A 89 3.690 -3.859 1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.001 -4.243 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.807 -5.941 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 89 1.751 -3.909 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.544 -4.488 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.112 -3.713 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.939 -5.476 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.180 -5.796 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.517 -6.875 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.513 -6.103 1.392 1.00 0.00 H new ATOM 942 N THR A 90 3.262 -5.708 3.259 1.00 0.00 N ATOM 943 CA THR A 90 2.956 -6.782 4.247 1.00 0.00 C ATOM 944 C THR A 90 1.437 -7.050 4.345 1.00 0.00 C ATOM 945 O THR A 90 0.645 -6.129 4.158 1.00 0.00 O ATOM 946 CB THR A 90 3.496 -6.488 5.665 1.00 0.00 C ATOM 947 OG1 THR A 90 2.603 -5.659 6.409 1.00 0.00 O ATOM 948 CG2 THR A 90 4.879 -5.826 5.691 1.00 0.00 C ATOM 0 H THR A 90 2.871 -4.800 3.509 1.00 0.00 H new ATOM 0 HA THR A 90 3.469 -7.665 3.866 1.00 0.00 H new ATOM 0 HB THR A 90 3.584 -7.475 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.874 -5.648 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.181 -5.655 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.604 -6.478 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.836 -4.873 5.163 1.00 0.00 H new ATOM 951 N ILE A 91 1.066 -8.288 4.688 1.00 0.00 N ATOM 952 CA ILE A 91 -0.349 -8.716 4.851 1.00 0.00 C ATOM 953 C ILE A 91 -0.547 -9.458 6.195 1.00 0.00 C ATOM 954 O ILE A 91 0.189 -10.391 6.507 1.00 0.00 O ATOM 955 CB ILE A 91 -0.808 -9.586 3.654 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.676 -8.809 2.330 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.256 -10.081 3.830 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.753 -9.667 1.058 1.00 0.00 C ATOM 0 H ILE A 91 1.737 -9.036 4.864 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.974 -7.823 4.868 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.154 -10.458 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.463 -8.056 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.275 -8.277 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.540 -10.687 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.328 -10.681 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.926 -9.225 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.650 -9.028 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.050 -10.404 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.714 -10.179 1.022 1.00 0.00 H new ATOM 960 N MET A 92 -1.503 -8.956 6.971 1.00 0.00 N ATOM 961 CA MET A 92 -2.006 -9.532 8.243 1.00 0.00 C ATOM 962 C MET A 92 -3.547 -9.518 8.329 1.00 0.00 C ATOM 963 O MET A 92 -4.217 -8.992 7.442 1.00 0.00 O ATOM 964 CB MET A 92 -1.433 -8.730 9.414 1.00 0.00 C ATOM 965 CG MET A 92 -0.132 -9.344 9.926 1.00 0.00 C ATOM 966 SD MET A 92 1.173 -8.101 10.222 1.00 0.00 S ATOM 967 CE MET A 92 1.912 -8.105 8.605 1.00 0.00 C ATOM 0 H MET A 92 -1.983 -8.089 6.728 1.00 0.00 H new ATOM 0 HA MET A 92 -1.684 -10.573 8.284 1.00 0.00 H new ATOM 0 HB2 MET A 92 -1.253 -7.702 9.099 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.163 -8.693 10.223 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.330 -9.883 10.853 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.228 -10.076 9.203 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.869 -7.584 8.641 1.00 0.00 H new ATOM 0 HE2 MET A 92 2.070 -9.133 8.280 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.250 -7.600 7.901 1.00 0.00 H new ATOM 969 N ASN A 93 -4.090 -10.185 9.346 1.00 0.00 N ATOM 970 CA ASN A 93 -5.540 -10.168 9.643 1.00 0.00 C ATOM 971 C ASN A 93 -5.869 -10.000 11.136 1.00 0.00 C ATOM 972 O ASN A 93 -5.566 -10.874 11.941 1.00 0.00 O ATOM 973 CB ASN A 93 -6.226 -11.432 9.117 1.00 0.00 C ATOM 974 CG ASN A 93 -6.950 -11.216 7.788 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.124 -10.876 7.722 1.00 0.00 O ATOM 976 ND2 ASN A 93 -6.249 -11.416 6.699 1.00 0.00 N ATOM 0 H ASN A 93 -3.546 -10.755 9.993 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.924 -9.288 9.127 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.480 -12.218 8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.941 -11.785 9.860 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.681 -11.288 5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.271 -11.699 6.767 1.00 0.00 H new ATOM 980 N THR A 94 -6.639 -8.959 11.438 1.00 0.00 N ATOM 981 CA THR A 94 -7.158 -8.669 12.798 1.00 0.00 C ATOM 982 C THR A 94 -8.152 -9.698 13.373 1.00 0.00 C ATOM 983 O THR A 94 -8.539 -9.602 14.534 1.00 0.00 O ATOM 984 CB THR A 94 -7.728 -7.247 12.938 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.021 -6.660 11.665 1.00 0.00 O ATOM 986 CG2 THR A 94 -6.778 -6.364 13.751 1.00 0.00 C ATOM 0 H THR A 94 -6.933 -8.273 10.742 1.00 0.00 H new ATOM 0 HA THR A 94 -6.259 -8.752 13.409 1.00 0.00 H new ATOM 0 HB THR A 94 -8.672 -7.322 13.477 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.291 -5.726 11.790 1.00 0.00 H new ATOM 0 HG21 THR A 94 -7.198 -5.362 13.839 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.646 -6.791 14.745 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.812 -6.309 13.248 1.00 0.00 H new ATOM 989 N GLU A 95 -8.639 -10.603 12.522 1.00 0.00 N ATOM 990 CA GLU A 95 -9.426 -11.783 12.952 1.00 0.00 C ATOM 991 C GLU A 95 -8.902 -13.144 12.434 1.00 0.00 C ATOM 992 O GLU A 95 -9.650 -14.118 12.372 1.00 0.00 O ATOM 993 CB GLU A 95 -10.915 -11.609 12.607 1.00 0.00 C ATOM 994 CG GLU A 95 -11.694 -10.752 13.614 1.00 0.00 C ATOM 995 CD GLU A 95 -11.784 -9.277 13.217 1.00 0.00 C ATOM 996 OE1 GLU A 95 -12.451 -9.004 12.193 1.00 0.00 O ATOM 997 OE2 GLU A 95 -11.215 -8.438 13.947 1.00 0.00 O ATOM 0 H GLU A 95 -8.504 -10.547 11.512 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.301 -11.821 14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.998 -11.156 11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.380 -12.593 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.702 -11.154 13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.217 -10.829 14.591 1.00 0.00 H new ATOM 999 N ALA A 96 -7.592 -13.227 12.181 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.915 -14.429 11.626 1.00 0.00 C ATOM 1001 C ALA A 96 -5.375 -14.280 11.702 1.00 0.00 C ATOM 1002 O ALA A 96 -4.881 -13.504 12.516 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.409 -14.702 10.192 1.00 0.00 C ATOM 0 H ALA A 96 -6.951 -12.453 12.355 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.175 -15.297 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.906 -15.584 9.796 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.486 -14.872 10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.185 -13.843 9.560 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.626 -15.020 10.882 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.146 -15.016 10.887 1.00 0.00 C ATOM 1007 C LEU A 97 -2.615 -15.379 9.485 1.00 0.00 C ATOM 1008 O LEU A 97 -3.294 -16.083 8.738 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.686 -16.037 11.934 1.00 0.00 C ATOM 1010 CG LEU A 97 -1.382 -15.634 12.628 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -1.483 -15.961 14.118 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -0.188 -16.377 12.022 1.00 0.00 C ATOM 0 H LEU A 97 -5.026 -15.648 10.185 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.758 -14.029 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.468 -16.158 12.684 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.551 -17.006 11.454 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.229 -14.564 12.488 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.557 -15.676 14.617 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.315 -15.410 14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.649 -17.031 14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.726 -16.073 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.330 -17.451 12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.109 -16.136 10.962 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.440 -14.835 9.147 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.817 -15.053 7.821 1.00 0.00 C ATOM 1016 C GLY A 98 0.655 -14.614 7.762 1.00 0.00 C ATOM 1017 O GLY A 98 0.974 -13.459 8.023 1.00 0.00 O ATOM 0 H GLY A 98 -0.895 -14.238 9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.884 -16.110 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.383 -14.506 7.067 1.00 0.00 H new ATOM 1019 N THR A 99 1.516 -15.615 7.613 1.00 0.00 N ATOM 1020 CA THR A 99 2.983 -15.446 7.475 1.00 0.00 C ATOM 1021 C THR A 99 3.522 -16.182 6.234 1.00 0.00 C ATOM 1022 O THR A 99 3.779 -17.383 6.264 1.00 0.00 O ATOM 1023 CB THR A 99 3.712 -15.916 8.745 1.00 0.00 C ATOM 1024 OG1 THR A 99 3.185 -17.173 9.191 1.00 0.00 O ATOM 1025 CG2 THR A 99 3.648 -14.862 9.854 1.00 0.00 C ATOM 0 H THR A 99 1.222 -16.591 7.582 1.00 0.00 H new ATOM 0 HA THR A 99 3.179 -14.382 7.341 1.00 0.00 H new ATOM 0 HB THR A 99 4.764 -16.056 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.143 -17.797 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.174 -15.229 10.736 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.118 -13.941 9.508 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.607 -14.664 10.108 1.00 0.00 H new ATOM 1028 N SER A 100 3.645 -15.418 5.149 1.00 0.00 N ATOM 1029 CA SER A 100 3.998 -15.915 3.789 1.00 0.00 C ATOM 1030 C SER A 100 4.292 -14.829 2.722 1.00 0.00 C ATOM 1031 O SER A 100 5.277 -15.001 2.009 1.00 0.00 O ATOM 1032 CB SER A 100 2.948 -16.913 3.261 1.00 0.00 C ATOM 1033 OG SER A 100 3.167 -17.274 1.893 1.00 0.00 O ATOM 0 H SER A 100 3.501 -14.409 5.176 1.00 0.00 H new ATOM 0 HA SER A 100 4.951 -16.421 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.966 -17.812 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.954 -16.476 3.363 1.00 0.00 H new ATOM 0 HG SER A 100 2.477 -17.908 1.608 1.00 0.00 H new ATOM 1036 N PRO A 101 3.492 -13.752 2.583 1.00 0.00 N ATOM 1037 CA PRO A 101 3.779 -12.668 1.615 1.00 0.00 C ATOM 1038 C PRO A 101 4.964 -11.795 2.083 1.00 0.00 C ATOM 1039 O PRO A 101 5.998 -12.334 2.461 1.00 0.00 O ATOM 1040 CB PRO A 101 2.434 -11.944 1.461 1.00 0.00 C ATOM 1041 CG PRO A 101 1.809 -12.077 2.845 1.00 0.00 C ATOM 1042 CD PRO A 101 2.198 -13.495 3.254 1.00 0.00 C ATOM 0 HA PRO A 101 4.123 -13.015 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.568 -10.900 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.814 -12.405 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.201 -11.334 3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.727 -11.947 2.815 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.292 -13.581 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.443 -14.216 2.942 1.00 0.00 H new ATOM 1043 N ARG A 102 4.776 -10.473 2.127 1.00 0.00 N ATOM 1044 CA ARG A 102 5.782 -9.464 2.527 1.00 0.00 C ATOM 1045 C ARG A 102 6.918 -9.367 1.491 1.00 0.00 C ATOM 1046 O ARG A 102 7.979 -9.977 1.595 1.00 0.00 O ATOM 1047 CB ARG A 102 6.265 -9.692 3.969 1.00 0.00 C ATOM 1048 CG ARG A 102 7.006 -8.469 4.511 1.00 0.00 C ATOM 1049 CD ARG A 102 7.213 -8.541 6.027 1.00 0.00 C ATOM 1050 NE ARG A 102 8.358 -9.388 6.404 1.00 0.00 N ATOM 1051 CZ ARG A 102 9.649 -9.047 6.364 1.00 0.00 C ATOM 1052 NH1 ARG A 102 10.071 -7.887 5.876 1.00 0.00 N ATOM 1053 NH2 ARG A 102 10.531 -9.796 7.005 1.00 0.00 N ATOM 0 H ARG A 102 3.882 -10.050 1.875 1.00 0.00 H new ATOM 0 HA ARG A 102 5.307 -8.483 2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.411 -9.915 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.922 -10.561 4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.974 -8.385 4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.444 -7.568 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.366 -7.535 6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.309 -8.930 6.495 1.00 0.00 H new ATOM 0 HE ARG A 102 8.143 -10.331 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.399 -7.212 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.068 -7.670 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 102 10.222 -10.620 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.520 -9.549 6.984 1.00 0.00 H new ATOM 1060 N MET A 103 6.651 -8.513 0.512 1.00 0.00 N ATOM 1061 CA MET A 103 7.509 -8.380 -0.682 1.00 0.00 C ATOM 1062 C MET A 103 8.104 -6.969 -0.794 1.00 0.00 C ATOM 1063 O MET A 103 7.416 -5.969 -0.577 1.00 0.00 O ATOM 1064 CB MET A 103 6.675 -8.736 -1.913 1.00 0.00 C ATOM 1065 CG MET A 103 7.521 -9.441 -2.977 1.00 0.00 C ATOM 1066 SD MET A 103 6.557 -10.081 -4.397 1.00 0.00 S ATOM 1067 CE MET A 103 5.560 -11.339 -3.624 1.00 0.00 C ATOM 0 H MET A 103 5.842 -7.892 0.512 1.00 0.00 H new ATOM 0 HA MET A 103 8.355 -9.062 -0.603 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.847 -9.381 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.240 -7.830 -2.334 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.274 -8.745 -3.347 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.055 -10.269 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.129 -11.983 -4.390 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.181 -11.935 -2.955 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.759 -10.869 -3.053 1.00 0.00 H new ATOM 1069 N THR A 104 9.398 -6.968 -1.084 1.00 0.00 N ATOM 1070 CA THR A 104 10.225 -5.748 -1.225 1.00 0.00 C ATOM 1071 C THR A 104 10.728 -5.605 -2.670 1.00 0.00 C ATOM 1072 O THR A 104 11.533 -6.394 -3.163 1.00 0.00 O ATOM 1073 CB THR A 104 11.369 -5.685 -0.192 1.00 0.00 C ATOM 1074 OG1 THR A 104 12.107 -4.471 -0.371 1.00 0.00 O ATOM 1075 CG2 THR A 104 12.297 -6.907 -0.162 1.00 0.00 C ATOM 0 H THR A 104 9.926 -7.828 -1.234 1.00 0.00 H new ATOM 0 HA THR A 104 9.590 -4.889 -1.007 1.00 0.00 H new ATOM 0 HB THR A 104 10.891 -5.699 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.833 -4.430 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.065 -6.762 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.717 -7.799 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.769 -7.030 -1.137 1.00 0.00 H new ATOM 1078 N PHE A 105 10.048 -4.706 -3.361 1.00 0.00 N ATOM 1079 CA PHE A 105 10.283 -4.411 -4.790 1.00 0.00 C ATOM 1080 C PHE A 105 10.799 -2.973 -4.922 1.00 0.00 C ATOM 1081 O PHE A 105 10.469 -2.100 -4.122 1.00 0.00 O ATOM 1082 CB PHE A 105 9.015 -4.548 -5.655 1.00 0.00 C ATOM 1083 CG PHE A 105 7.763 -5.103 -4.963 1.00 0.00 C ATOM 1084 CD1 PHE A 105 7.090 -4.304 -4.049 1.00 0.00 C ATOM 1085 CD2 PHE A 105 7.197 -6.306 -5.363 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.850 -4.676 -3.551 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.957 -6.686 -4.863 1.00 0.00 C ATOM 1088 CZ PHE A 105 5.282 -5.875 -3.957 1.00 0.00 C ATOM 0 H PHE A 105 9.302 -4.144 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 105 11.008 -5.141 -5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.772 -3.566 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.249 -5.193 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.539 -3.378 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 105 7.719 -6.945 -6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.330 -4.037 -2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 105 5.514 -7.618 -5.181 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.320 -6.177 -3.571 1.00 0.00 H new ATOM 1095 N ILE A 106 11.636 -2.758 -5.928 1.00 0.00 N ATOM 1096 CA ILE A 106 12.220 -1.424 -6.188 1.00 0.00 C ATOM 1097 C ILE A 106 11.637 -0.801 -7.470 1.00 0.00 C ATOM 1098 O ILE A 106 11.162 -1.511 -8.357 1.00 0.00 O ATOM 1099 CB ILE A 106 13.764 -1.468 -6.180 1.00 0.00 C ATOM 1100 CG1 ILE A 106 14.354 -2.331 -7.306 1.00 0.00 C ATOM 1101 CG2 ILE A 106 14.263 -1.937 -4.801 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.821 -2.000 -7.606 1.00 0.00 C ATOM 0 H ILE A 106 11.933 -3.481 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 106 11.936 -0.763 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 106 14.117 -0.454 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.273 -3.383 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.763 -2.192 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 106 15.353 -1.967 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.918 -1.244 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.872 -2.933 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 106 16.182 -2.642 -8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.904 -0.957 -7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 106 16.422 -2.166 -6.712 1.00 0.00 H new ATOM 1104 N LYS A 107 11.559 0.530 -7.478 1.00 0.00 N ATOM 1105 CA LYS A 107 10.988 1.330 -8.589 1.00 0.00 C ATOM 1106 C LYS A 107 11.900 1.262 -9.829 1.00 0.00 C ATOM 1107 O LYS A 107 12.794 2.087 -9.999 1.00 0.00 O ATOM 1108 CB LYS A 107 10.812 2.788 -8.133 1.00 0.00 C ATOM 1109 CG LYS A 107 9.535 3.489 -8.608 1.00 0.00 C ATOM 1110 CD LYS A 107 9.370 3.556 -10.130 1.00 0.00 C ATOM 1111 CE LYS A 107 8.158 4.399 -10.532 1.00 0.00 C ATOM 1112 NZ LYS A 107 6.899 3.896 -9.961 1.00 0.00 N ATOM 0 H LYS A 107 11.894 1.103 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 107 10.016 0.919 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.833 2.812 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.670 3.363 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.674 2.971 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.524 4.504 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.271 3.978 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.260 2.548 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.313 5.428 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.077 4.416 -11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.325 3.463 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.108 3.184 -9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.372 4.684 -9.534 1.00 0.00 H new ATOM 1117 N HIS A 108 11.782 0.108 -10.480 1.00 0.00 N ATOM 1118 CA HIS A 108 12.450 -0.380 -11.713 1.00 0.00 C ATOM 1119 C HIS A 108 13.387 -1.522 -11.309 1.00 0.00 C ATOM 1120 O HIS A 108 14.175 -1.398 -10.378 1.00 0.00 O ATOM 1121 CB HIS A 108 13.278 0.637 -12.523 1.00 0.00 C ATOM 1122 CG HIS A 108 12.513 1.905 -12.919 1.00 0.00 C ATOM 1123 ND1 HIS A 108 12.970 3.144 -12.759 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.265 1.986 -13.378 1.00 0.00 C ATOM 1125 CE1 HIS A 108 12.000 3.986 -13.103 1.00 0.00 C ATOM 1126 NE2 HIS A 108 10.944 3.271 -13.484 1.00 0.00 N ATOM 0 H HIS A 108 11.142 -0.602 -10.124 1.00 0.00 H new ATOM 0 HA HIS A 108 11.634 -0.663 -12.377 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.153 0.923 -11.938 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.644 0.151 -13.427 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.625 1.151 -13.622 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.059 5.064 -13.078 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.049 3.643 -13.801 1.00 0.00 H new ATOM 1129 N LYS A 109 13.228 -2.655 -11.986 1.00 0.00 N ATOM 1130 CA LYS A 109 13.984 -3.888 -11.680 1.00 0.00 C ATOM 1131 C LYS A 109 15.501 -3.764 -11.946 1.00 0.00 C ATOM 1132 O LYS A 109 16.268 -4.369 -11.166 1.00 99.99 O ATOM 1133 CG LYS A 109 13.295 -6.355 -11.780 1.00 0.00 C ATOM 1134 CD LYS A 109 12.232 -6.318 -10.676 1.00 0.00 C ATOM 1135 CE LYS A 109 11.888 -7.723 -10.172 1.00 0.00 C ATOM 1136 NZ LYS A 109 11.195 -8.508 -11.208 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.847 -3.099 -12.948 1.00 99.99 O ATOM 0 H LYS A 109 12.575 -2.755 -12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.592 -5.711 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.330 -5.837 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.801 -8.238 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.258 -7.650 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.975 -9.454 -10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.312 -8.027 -11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.808 -8.597 -12.044 1.00 0.00 H new