USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 68 ASN : amide:sc= -0.271 K(o=1,f=-0.36) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -163:sc= 1.28 (180deg=0.928) USER MOD Set 2.1: A 41 THR OG1 : rot -38:sc= -1.43 USER MOD Set 2.2: A 75 CYS SG : rot -130:sc= -0.15 USER MOD Set 3.1: A 37 ASN : amide:sc= 1.16 K(o=2.9,f=0.51) USER MOD Set 3.2: A 74 SER OG : rot 150:sc= 1.76 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.58 (180deg=1.1) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0398 USER MOD Single : A 3 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.06 K(o=1.1,f=-0.11) USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0.657 (180deg=-0.955!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 21 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.3) USER MOD Single : A 27 THR OG1 : rot -94:sc= -1.31! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.14 K(o=1.1,f=-0.066) USER MOD Single : A 34 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.2) USER MOD Single : A 40 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 44 SER OG : rot -170:sc= -0.0274 USER MOD Single : A 50 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.8!) USER MOD Single : A 54 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.585) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc=-0.00722 (180deg=-0.126) USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.11) USER MOD Single : A 63 HIS : no HE2:sc= 0.716 K(o=0.72,f=-6.2!) USER MOD Single : A 67 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.032 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.966) USER MOD Single : A 80 HIS : no HE2:sc= -0.0365 K(o=-0.037,f=-1.8!) USER MOD Single : A 81 MET CE :methyl 168:sc= -0.778 (180deg=-1.04) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 2.09 (180deg=1.38) USER MOD Single : A 87 SER OG : rot 106:sc= 1.29 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 89 GLN : amide:sc= 0.259 K(o=0.26,f=-3.5!) USER MOD Single : A 92 TYR OH : rot -15:sc= -0.439 USER MOD Single : A 97 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.063) USER MOD Single : A 98 HIS : +bothHN:sc= 0.393 K(o=0.39,f=-12!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.0024) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO O2B : rot -105:sc= 0.268 USER MOD Single : A 103 ACO OAP : rot -160:sc=0.000961 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.301 -1.664 -1.135 1.00 6.95 N ATOM 2 CA MET A 1 22.387 -1.393 -0.001 1.00 6.01 C ATOM 3 C MET A 1 22.876 -0.184 0.780 1.00 5.28 C ATOM 4 O MET A 1 24.067 0.127 0.772 1.00 5.28 O ATOM 5 CB MET A 1 22.285 -2.614 0.926 1.00 5.80 C ATOM 6 CG MET A 1 23.604 -3.021 1.566 1.00 6.10 C ATOM 7 SD MET A 1 24.608 -4.056 0.479 1.00 6.20 S ATOM 8 CE MET A 1 26.165 -4.078 1.364 1.00 6.73 C ATOM 0 H1 MET A 1 22.847 -2.327 -1.796 1.00 6.95 H new ATOM 0 H2 MET A 1 23.514 -0.774 -1.629 1.00 6.95 H new ATOM 0 H3 MET A 1 24.184 -2.081 -0.777 1.00 6.95 H new ATOM 0 HA MET A 1 21.395 -1.186 -0.401 1.00 6.01 H new ATOM 0 HB2 MET A 1 21.563 -2.399 1.713 1.00 5.80 H new ATOM 0 HB3 MET A 1 21.895 -3.457 0.356 1.00 5.80 H new ATOM 0 HG2 MET A 1 24.167 -2.126 1.832 1.00 6.10 H new ATOM 0 HG3 MET A 1 23.404 -3.559 2.492 1.00 6.10 H new ATOM 0 HE1 MET A 1 26.888 -4.680 0.814 1.00 6.73 H new ATOM 0 HE2 MET A 1 26.542 -3.060 1.463 1.00 6.73 H new ATOM 0 HE3 MET A 1 26.014 -4.507 2.355 1.00 6.73 H new ATOM 20 N SER A 2 21.958 0.496 1.444 1.00 5.03 N ATOM 21 CA SER A 2 22.292 1.673 2.226 1.00 4.69 C ATOM 22 C SER A 2 21.639 1.602 3.606 1.00 3.60 C ATOM 23 O SER A 2 22.309 1.380 4.616 1.00 3.51 O ATOM 24 CB SER A 2 21.833 2.928 1.481 1.00 5.46 C ATOM 25 OG SER A 2 20.614 2.684 0.793 1.00 6.47 O ATOM 0 H SER A 2 20.968 0.251 1.457 1.00 5.03 H new ATOM 0 HA SER A 2 23.372 1.714 2.364 1.00 4.69 H new ATOM 0 HB2 SER A 2 21.701 3.748 2.187 1.00 5.46 H new ATOM 0 HB3 SER A 2 22.601 3.238 0.772 1.00 5.46 H new ATOM 0 HG SER A 2 20.335 3.498 0.324 1.00 6.47 H new ATOM 31 N ASN A 3 20.328 1.788 3.631 1.00 3.10 N ATOM 32 CA ASN A 3 19.559 1.742 4.867 1.00 2.27 C ATOM 33 C ASN A 3 18.084 1.569 4.531 1.00 2.15 C ATOM 34 O ASN A 3 17.648 1.948 3.442 1.00 2.83 O ATOM 35 CB ASN A 3 19.771 3.024 5.685 1.00 2.40 C ATOM 36 CG ASN A 3 19.189 2.929 7.085 1.00 2.63 C ATOM 37 OD1 ASN A 3 18.021 3.244 7.309 1.00 2.70 O ATOM 38 ND2 ASN A 3 19.997 2.495 8.039 1.00 3.35 N ATOM 0 H ASN A 3 19.768 1.974 2.799 1.00 3.10 H new ATOM 0 HA ASN A 3 19.898 0.898 5.468 1.00 2.27 H new ATOM 0 HB2 ASN A 3 20.838 3.234 5.753 1.00 2.40 H new ATOM 0 HB3 ASN A 3 19.313 3.864 5.162 1.00 2.40 H new ATOM 0 HD21 ASN A 3 19.657 2.413 8.997 1.00 3.35 H new ATOM 0 HD22 ASN A 3 20.960 2.243 7.816 1.00 3.35 H new ATOM 45 N LEU A 4 17.324 0.991 5.450 1.00 1.64 N ATOM 46 CA LEU A 4 15.898 0.777 5.236 1.00 1.54 C ATOM 47 C LEU A 4 15.096 2.029 5.589 1.00 1.65 C ATOM 48 O LEU A 4 14.267 2.016 6.506 1.00 2.49 O ATOM 49 CB LEU A 4 15.403 -0.415 6.060 1.00 1.47 C ATOM 50 CG LEU A 4 15.485 -1.772 5.359 1.00 1.63 C ATOM 51 CD1 LEU A 4 16.918 -2.285 5.348 1.00 2.06 C ATOM 52 CD2 LEU A 4 14.565 -2.773 6.037 1.00 2.10 C ATOM 0 H LEU A 4 17.670 0.661 6.351 1.00 1.64 H new ATOM 0 HA LEU A 4 15.748 0.560 4.178 1.00 1.54 H new ATOM 0 HB2 LEU A 4 15.983 -0.465 6.982 1.00 1.47 H new ATOM 0 HB3 LEU A 4 14.367 -0.234 6.345 1.00 1.47 H new ATOM 0 HG LEU A 4 15.160 -1.647 4.326 1.00 1.63 H new ATOM 0 HD11 LEU A 4 16.955 -3.251 4.845 1.00 2.06 H new ATOM 0 HD12 LEU A 4 17.554 -1.576 4.819 1.00 2.06 H new ATOM 0 HD13 LEU A 4 17.273 -2.396 6.373 1.00 2.06 H new ATOM 0 HD21 LEU A 4 14.634 -3.734 5.527 1.00 2.10 H new ATOM 0 HD22 LEU A 4 14.862 -2.893 7.079 1.00 2.10 H new ATOM 0 HD23 LEU A 4 13.538 -2.411 5.992 1.00 2.10 H new ATOM 64 N GLU A 5 15.351 3.104 4.858 1.00 1.13 N ATOM 65 CA GLU A 5 14.657 4.365 5.075 1.00 1.19 C ATOM 66 C GLU A 5 13.452 4.472 4.151 1.00 1.05 C ATOM 67 O GLU A 5 13.491 4.004 3.015 1.00 1.01 O ATOM 68 CB GLU A 5 15.605 5.544 4.850 1.00 1.48 C ATOM 69 CG GLU A 5 16.543 5.793 6.019 1.00 1.61 C ATOM 70 CD GLU A 5 15.808 6.225 7.274 1.00 2.22 C ATOM 71 OE1 GLU A 5 15.381 5.349 8.059 1.00 2.91 O ATOM 72 OE2 GLU A 5 15.659 7.444 7.491 1.00 2.57 O ATOM 0 H GLU A 5 16.038 3.128 4.105 1.00 1.13 H new ATOM 0 HA GLU A 5 14.308 4.394 6.107 1.00 1.19 H new ATOM 0 HB2 GLU A 5 16.195 5.360 3.952 1.00 1.48 H new ATOM 0 HB3 GLU A 5 15.018 6.444 4.667 1.00 1.48 H new ATOM 0 HG2 GLU A 5 17.107 4.884 6.227 1.00 1.61 H new ATOM 0 HG3 GLU A 5 17.266 6.561 5.743 1.00 1.61 H new ATOM 79 N ILE A 6 12.391 5.091 4.644 1.00 1.00 N ATOM 80 CA ILE A 6 11.170 5.248 3.868 1.00 0.88 C ATOM 81 C ILE A 6 11.301 6.399 2.877 1.00 0.86 C ATOM 82 O ILE A 6 11.116 7.565 3.229 1.00 0.90 O ATOM 83 CB ILE A 6 9.948 5.496 4.779 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.917 4.476 5.922 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.662 5.425 3.966 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.854 4.755 6.962 1.00 0.92 C ATOM 0 H ILE A 6 12.350 5.494 5.580 1.00 1.00 H new ATOM 0 HA ILE A 6 11.016 4.317 3.323 1.00 0.88 H new ATOM 0 HB ILE A 6 10.032 6.493 5.211 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.752 3.482 5.505 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.892 4.460 6.408 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.808 5.602 4.620 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.683 6.184 3.184 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.573 4.438 3.511 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.895 3.991 7.738 1.00 0.92 H new ATOM 0 HD12 ILE A 6 9.029 5.734 7.408 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.871 4.742 6.491 1.00 0.92 H new ATOM 98 N LYS A 7 11.635 6.066 1.644 1.00 0.86 N ATOM 99 CA LYS A 7 11.792 7.060 0.600 1.00 0.89 C ATOM 100 C LYS A 7 10.478 7.269 -0.133 1.00 0.79 C ATOM 101 O LYS A 7 9.947 6.343 -0.749 1.00 0.74 O ATOM 102 CB LYS A 7 12.863 6.621 -0.396 1.00 0.99 C ATOM 103 CG LYS A 7 14.257 6.519 0.198 1.00 1.10 C ATOM 104 CD LYS A 7 14.942 7.872 0.266 1.00 1.61 C ATOM 105 CE LYS A 7 15.041 8.517 -1.111 1.00 1.77 C ATOM 106 NZ LYS A 7 16.113 9.544 -1.163 1.00 2.23 N ATOM 0 H LYS A 7 11.804 5.107 1.340 1.00 0.86 H new ATOM 0 HA LYS A 7 12.097 7.997 1.065 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.584 5.652 -0.810 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.884 7.328 -1.226 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.195 6.092 1.199 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.859 5.837 -0.402 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.388 8.528 0.937 1.00 1.61 H new ATOM 0 HD3 LYS A 7 15.941 7.755 0.687 1.00 1.61 H new ATOM 0 HE2 LYS A 7 15.237 7.749 -1.859 1.00 1.77 H new ATOM 0 HE3 LYS A 7 14.086 8.975 -1.367 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 16.149 9.960 -2.115 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 15.913 10.290 -0.467 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 17.028 9.102 -0.943 1.00 2.23 H new ATOM 120 N GLN A 8 9.944 8.475 -0.062 1.00 0.81 N ATOM 121 CA GLN A 8 8.701 8.771 -0.747 1.00 0.78 C ATOM 122 C GLN A 8 8.989 9.344 -2.124 1.00 0.90 C ATOM 123 O GLN A 8 9.784 10.274 -2.277 1.00 1.15 O ATOM 124 CB GLN A 8 7.813 9.723 0.063 1.00 0.93 C ATOM 125 CG GLN A 8 8.474 11.041 0.421 1.00 1.29 C ATOM 126 CD GLN A 8 7.560 11.948 1.221 1.00 1.76 C ATOM 127 OE1 GLN A 8 7.488 11.855 2.447 1.00 2.52 O ATOM 128 NE2 GLN A 8 6.856 12.832 0.534 1.00 1.94 N ATOM 0 H GLN A 8 10.346 9.256 0.456 1.00 0.81 H new ATOM 0 HA GLN A 8 8.151 7.837 -0.858 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.906 9.928 -0.506 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.507 9.222 0.981 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.380 10.846 0.994 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.779 11.551 -0.493 1.00 1.29 H new ATOM 0 HE21 GLN A 8 6.945 12.877 -0.481 1.00 1.94 H new ATOM 0 HE22 GLN A 8 6.224 13.469 1.019 1.00 1.94 H new ATOM 137 N GLY A 9 8.356 8.767 -3.120 1.00 0.87 N ATOM 138 CA GLY A 9 8.537 9.213 -4.482 1.00 1.04 C ATOM 139 C GLY A 9 7.261 9.793 -5.040 1.00 0.71 C ATOM 140 O GLY A 9 6.424 10.278 -4.277 1.00 0.83 O ATOM 0 H GLY A 9 7.709 7.986 -3.012 1.00 0.87 H new ATOM 0 HA2 GLY A 9 9.327 9.963 -4.520 1.00 1.04 H new ATOM 0 HA3 GLY A 9 8.861 8.377 -5.101 1.00 1.04 H new ATOM 144 N GLU A 10 7.103 9.730 -6.357 1.00 1.04 N ATOM 145 CA GLU A 10 5.909 10.248 -7.021 1.00 0.82 C ATOM 146 C GLU A 10 4.664 9.497 -6.540 1.00 0.70 C ATOM 147 O GLU A 10 4.282 8.479 -7.124 1.00 0.72 O ATOM 148 CB GLU A 10 6.062 10.115 -8.538 1.00 0.79 C ATOM 149 CG GLU A 10 5.278 11.146 -9.334 1.00 1.82 C ATOM 150 CD GLU A 10 3.791 10.864 -9.362 1.00 2.48 C ATOM 151 OE1 GLU A 10 3.357 10.040 -10.189 1.00 2.65 O ATOM 152 OE2 GLU A 10 3.050 11.465 -8.556 1.00 3.19 O ATOM 0 H GLU A 10 7.791 9.323 -6.991 1.00 1.04 H new ATOM 0 HA GLU A 10 5.791 11.302 -6.769 1.00 0.82 H new ATOM 0 HB2 GLU A 10 7.118 10.200 -8.795 1.00 0.79 H new ATOM 0 HB3 GLU A 10 5.740 9.118 -8.839 1.00 0.79 H new ATOM 0 HG2 GLU A 10 5.447 12.134 -8.905 1.00 1.82 H new ATOM 0 HG3 GLU A 10 5.657 11.173 -10.356 1.00 1.82 H new ATOM 159 N ASN A 11 4.055 10.009 -5.465 1.00 0.63 N ATOM 160 CA ASN A 11 2.869 9.401 -4.856 1.00 0.59 C ATOM 161 C ASN A 11 3.127 7.930 -4.561 1.00 0.47 C ATOM 162 O ASN A 11 2.285 7.069 -4.830 1.00 0.44 O ATOM 163 CB ASN A 11 1.636 9.549 -5.752 1.00 0.71 C ATOM 164 CG ASN A 11 0.985 10.911 -5.643 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.195 11.166 -4.731 1.00 1.10 O ATOM 166 ND2 ASN A 11 1.300 11.793 -6.574 1.00 1.38 N ATOM 0 H ASN A 11 4.371 10.856 -4.993 1.00 0.63 H new ATOM 0 HA ASN A 11 2.668 9.927 -3.923 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.924 9.372 -6.788 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.908 8.782 -5.488 1.00 0.71 H new ATOM 0 HD21 ASN A 11 0.885 12.725 -6.555 1.00 1.38 H new ATOM 0 HD22 ASN A 11 1.958 11.543 -7.312 1.00 1.38 H new ATOM 173 N LYS A 12 4.298 7.649 -4.005 1.00 0.45 N ATOM 174 CA LYS A 12 4.679 6.280 -3.696 1.00 0.43 C ATOM 175 C LYS A 12 5.695 6.229 -2.564 1.00 0.46 C ATOM 176 O LYS A 12 6.254 7.251 -2.169 1.00 0.55 O ATOM 177 CB LYS A 12 5.285 5.620 -4.933 1.00 0.50 C ATOM 178 CG LYS A 12 6.751 5.955 -5.153 1.00 0.65 C ATOM 179 CD LYS A 12 7.235 5.476 -6.507 1.00 0.59 C ATOM 180 CE LYS A 12 8.748 5.526 -6.599 1.00 0.73 C ATOM 181 NZ LYS A 12 9.219 5.517 -8.004 1.00 0.94 N ATOM 0 H LYS A 12 4.998 8.350 -3.760 1.00 0.45 H new ATOM 0 HA LYS A 12 3.781 5.747 -3.384 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.179 4.539 -4.845 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.717 5.926 -5.811 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.894 7.033 -5.075 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.352 5.496 -4.368 1.00 0.65 H new ATOM 0 HD2 LYS A 12 6.891 4.456 -6.679 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.800 6.095 -7.291 1.00 0.59 H new ATOM 0 HE2 LYS A 12 9.112 6.424 -6.100 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.172 4.673 -6.069 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.135 5.027 -8.060 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.525 5.022 -8.600 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 9.328 6.495 -8.340 1.00 0.94 H new ATOM 195 N PHE A 13 5.926 5.032 -2.061 1.00 0.46 N ATOM 196 CA PHE A 13 6.901 4.802 -1.007 1.00 0.50 C ATOM 197 C PHE A 13 7.776 3.617 -1.399 1.00 0.50 C ATOM 198 O PHE A 13 7.270 2.516 -1.607 1.00 0.46 O ATOM 199 CB PHE A 13 6.217 4.521 0.336 1.00 0.51 C ATOM 200 CG PHE A 13 5.470 5.694 0.905 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.142 6.696 1.585 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.094 5.791 0.766 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.459 7.774 2.115 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.404 6.865 1.293 1.00 0.59 C ATOM 205 CZ PHE A 13 4.087 7.860 1.968 1.00 0.65 C ATOM 0 H PHE A 13 5.443 4.189 -2.371 1.00 0.46 H new ATOM 0 HA PHE A 13 7.508 5.700 -0.888 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.524 3.689 0.211 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.971 4.202 1.055 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.214 6.634 1.703 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.555 5.017 0.239 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.996 8.548 2.643 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.332 6.928 1.178 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.550 8.702 2.379 1.00 0.65 H new ATOM 215 N TYR A 14 9.073 3.839 -1.527 1.00 0.60 N ATOM 216 CA TYR A 14 9.982 2.771 -1.912 1.00 0.64 C ATOM 217 C TYR A 14 11.197 2.738 -0.999 1.00 0.69 C ATOM 218 O TYR A 14 11.612 3.764 -0.463 1.00 0.75 O ATOM 219 CB TYR A 14 10.412 2.921 -3.381 1.00 0.67 C ATOM 220 CG TYR A 14 11.324 4.100 -3.659 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.818 5.395 -3.729 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.689 3.922 -3.846 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.645 6.473 -3.980 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.521 4.995 -4.096 1.00 1.04 C ATOM 225 CZ TYR A 14 12.999 6.261 -4.178 1.00 1.03 C ATOM 226 OH TYR A 14 13.823 7.337 -4.418 1.00 1.16 O ATOM 0 H TYR A 14 9.519 4.743 -1.371 1.00 0.60 H new ATOM 0 HA TYR A 14 9.452 1.824 -1.807 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.918 2.007 -3.692 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.519 3.017 -3.998 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.760 5.560 -3.585 1.00 0.79 H new ATOM 0 HD2 TYR A 14 13.106 2.927 -3.795 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.239 7.473 -4.021 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.581 4.838 -4.227 1.00 1.04 H new ATOM 0 HH TYR A 14 14.744 7.024 -4.535 1.00 1.16 H new ATOM 236 N ILE A 15 11.742 1.547 -0.808 1.00 0.71 N ATOM 237 CA ILE A 15 12.916 1.357 0.032 1.00 0.78 C ATOM 238 C ILE A 15 13.896 0.421 -0.659 1.00 0.92 C ATOM 239 O ILE A 15 13.503 -0.629 -1.167 1.00 0.92 O ATOM 240 CB ILE A 15 12.546 0.770 1.417 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.548 1.678 2.143 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.796 0.572 2.264 1.00 0.80 C ATOM 243 CD1 ILE A 15 11.122 1.162 3.501 1.00 0.71 C ATOM 0 H ILE A 15 11.386 0.688 -1.228 1.00 0.71 H new ATOM 0 HA ILE A 15 13.370 2.336 0.187 1.00 0.78 H new ATOM 0 HB ILE A 15 12.075 -0.200 1.260 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.993 2.666 2.264 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.663 1.801 1.518 1.00 0.67 H new ATOM 0 HG21 ILE A 15 13.517 0.159 3.233 1.00 0.80 H new ATOM 0 HG22 ILE A 15 14.473 -0.116 1.758 1.00 0.80 H new ATOM 0 HG23 ILE A 15 14.294 1.531 2.408 1.00 0.80 H new ATOM 0 HD11 ILE A 15 10.416 1.860 3.950 1.00 0.71 H new ATOM 0 HD12 ILE A 15 10.647 0.188 3.387 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.997 1.066 4.145 1.00 0.71 H new ATOM 255 N GLY A 16 15.157 0.810 -0.701 1.00 1.09 N ATOM 256 CA GLY A 16 16.163 -0.014 -1.332 1.00 1.26 C ATOM 257 C GLY A 16 17.471 0.717 -1.514 1.00 1.42 C ATOM 258 O GLY A 16 17.749 1.685 -0.808 1.00 1.52 O ATOM 0 H GLY A 16 15.504 1.685 -0.308 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.329 -0.907 -0.729 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.798 -0.349 -2.303 1.00 1.26 H new ATOM 262 N ASP A 17 18.271 0.257 -2.463 1.00 1.55 N ATOM 263 CA ASP A 17 19.569 0.864 -2.733 1.00 1.74 C ATOM 264 C ASP A 17 19.421 2.017 -3.712 1.00 1.66 C ATOM 265 O ASP A 17 20.102 3.033 -3.603 1.00 1.78 O ATOM 266 CB ASP A 17 20.532 -0.182 -3.306 1.00 1.95 C ATOM 267 CG ASP A 17 21.891 0.396 -3.653 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.065 0.860 -4.799 1.00 2.14 O ATOM 269 OD2 ASP A 17 22.789 0.399 -2.782 1.00 2.62 O ATOM 0 H ASP A 17 18.045 -0.537 -3.062 1.00 1.55 H new ATOM 0 HA ASP A 17 19.973 1.247 -1.796 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.659 -0.987 -2.582 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.091 -0.624 -4.200 1.00 1.95 H new ATOM 274 N ASP A 18 18.501 1.854 -4.648 1.00 1.53 N ATOM 275 CA ASP A 18 18.256 2.852 -5.679 1.00 1.48 C ATOM 276 C ASP A 18 16.792 2.796 -6.105 1.00 1.37 C ATOM 277 O ASP A 18 16.075 1.881 -5.710 1.00 1.29 O ATOM 278 CB ASP A 18 19.188 2.567 -6.871 1.00 1.53 C ATOM 279 CG ASP A 18 18.983 3.488 -8.057 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.119 3.187 -8.902 1.00 1.41 O ATOM 281 OD2 ASP A 18 19.699 4.504 -8.158 1.00 1.60 O ATOM 0 H ASP A 18 17.904 1.030 -4.716 1.00 1.53 H new ATOM 0 HA ASP A 18 18.461 3.853 -5.298 1.00 1.48 H new ATOM 0 HB2 ASP A 18 20.222 2.649 -6.536 1.00 1.53 H new ATOM 0 HB3 ASP A 18 19.039 1.537 -7.196 1.00 1.53 H new ATOM 286 N GLU A 19 16.350 3.782 -6.881 1.00 1.41 N ATOM 287 CA GLU A 19 14.981 3.827 -7.388 1.00 1.38 C ATOM 288 C GLU A 19 14.660 2.536 -8.151 1.00 1.34 C ATOM 289 O GLU A 19 13.564 1.981 -8.037 1.00 1.34 O ATOM 290 CB GLU A 19 14.819 5.045 -8.308 1.00 1.49 C ATOM 291 CG GLU A 19 13.483 5.112 -9.026 1.00 1.76 C ATOM 292 CD GLU A 19 12.406 5.786 -8.207 1.00 2.08 C ATOM 293 OE1 GLU A 19 11.808 5.116 -7.347 1.00 2.72 O ATOM 294 OE2 GLU A 19 12.132 6.984 -8.436 1.00 2.43 O ATOM 0 H GLU A 19 16.928 4.569 -7.175 1.00 1.41 H new ATOM 0 HA GLU A 19 14.287 3.915 -6.552 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.946 5.952 -7.717 1.00 1.49 H new ATOM 0 HB3 GLU A 19 15.617 5.034 -9.050 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.608 5.651 -9.965 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.161 4.102 -9.278 1.00 1.76 H new ATOM 301 N ASN A 20 15.634 2.057 -8.921 1.00 1.37 N ATOM 302 CA ASN A 20 15.474 0.830 -9.695 1.00 1.39 C ATOM 303 C ASN A 20 15.859 -0.372 -8.840 1.00 1.40 C ATOM 304 O ASN A 20 15.356 -1.481 -9.027 1.00 1.52 O ATOM 305 CB ASN A 20 16.332 0.873 -10.963 1.00 1.48 C ATOM 306 CG ASN A 20 16.081 -0.311 -11.880 1.00 2.08 C ATOM 307 OD1 ASN A 20 14.983 -0.864 -11.921 1.00 2.92 O ATOM 308 ND2 ASN A 20 17.098 -0.700 -12.627 1.00 2.15 N ATOM 0 H ASN A 20 16.546 2.502 -9.025 1.00 1.37 H new ATOM 0 HA ASN A 20 14.430 0.739 -9.993 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.127 1.797 -11.504 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.385 0.894 -10.684 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.989 -1.486 -13.268 1.00 2.15 H new ATOM 0 HD22 ASN A 20 17.993 -0.214 -12.563 1.00 2.15 H new ATOM 315 N ASN A 21 16.737 -0.131 -7.880 1.00 1.36 N ATOM 316 CA ASN A 21 17.200 -1.178 -6.976 1.00 1.38 C ATOM 317 C ASN A 21 16.387 -1.124 -5.686 1.00 1.25 C ATOM 318 O ASN A 21 16.924 -1.184 -4.577 1.00 1.23 O ATOM 319 CB ASN A 21 18.693 -1.005 -6.680 1.00 1.54 C ATOM 320 CG ASN A 21 19.364 -2.280 -6.191 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.745 -3.129 -5.546 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.647 -2.418 -6.491 1.00 2.45 N ATOM 0 H ASN A 21 17.147 0.786 -7.704 1.00 1.36 H new ATOM 0 HA ASN A 21 17.060 -2.151 -7.447 1.00 1.38 H new ATOM 0 HB2 ASN A 21 19.197 -0.661 -7.583 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.819 -0.226 -5.928 1.00 1.54 H new ATOM 0 HD21 ASN A 21 21.156 -3.248 -6.186 1.00 2.45 H new ATOM 0 HD22 ASN A 21 21.126 -1.694 -7.027 1.00 2.45 H new ATOM 329 N ALA A 22 15.084 -0.971 -5.853 1.00 1.19 N ATOM 330 CA ALA A 22 14.164 -0.906 -4.732 1.00 1.09 C ATOM 331 C ALA A 22 13.773 -2.307 -4.289 1.00 1.06 C ATOM 332 O ALA A 22 13.348 -3.128 -5.104 1.00 1.14 O ATOM 333 CB ALA A 22 12.928 -0.100 -5.109 1.00 1.04 C ATOM 0 H ALA A 22 14.636 -0.889 -6.766 1.00 1.19 H new ATOM 0 HA ALA A 22 14.661 -0.407 -3.900 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.247 -0.060 -4.259 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.224 0.912 -5.385 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.427 -0.575 -5.953 1.00 1.04 H new ATOM 339 N LEU A 23 13.917 -2.577 -3.001 1.00 0.99 N ATOM 340 CA LEU A 23 13.582 -3.883 -2.449 1.00 0.99 C ATOM 341 C LEU A 23 12.094 -3.949 -2.126 1.00 0.87 C ATOM 342 O LEU A 23 11.553 -5.013 -1.841 1.00 0.95 O ATOM 343 CB LEU A 23 14.406 -4.156 -1.188 1.00 1.05 C ATOM 344 CG LEU A 23 15.918 -3.973 -1.346 1.00 1.25 C ATOM 345 CD1 LEU A 23 16.626 -4.257 -0.031 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.457 -4.871 -2.452 1.00 1.37 C ATOM 0 H LEU A 23 14.265 -1.907 -2.315 1.00 0.99 H new ATOM 0 HA LEU A 23 13.817 -4.646 -3.191 1.00 0.99 H new ATOM 0 HB2 LEU A 23 14.057 -3.495 -0.395 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.212 -5.177 -0.860 1.00 1.05 H new ATOM 0 HG LEU A 23 16.112 -2.938 -1.626 1.00 1.25 H new ATOM 0 HD11 LEU A 23 17.700 -4.123 -0.160 1.00 1.39 H new ATOM 0 HD12 LEU A 23 16.263 -3.570 0.733 1.00 1.39 H new ATOM 0 HD13 LEU A 23 16.423 -5.283 0.277 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.533 -4.725 -2.547 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.253 -5.913 -2.207 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.972 -4.618 -3.395 1.00 1.37 H new ATOM 358 N ALA A 24 11.449 -2.796 -2.161 1.00 0.77 N ATOM 359 CA ALA A 24 10.027 -2.692 -1.887 1.00 0.66 C ATOM 360 C ALA A 24 9.509 -1.359 -2.387 1.00 0.60 C ATOM 361 O ALA A 24 10.140 -0.324 -2.165 1.00 0.67 O ATOM 362 CB ALA A 24 9.757 -2.845 -0.399 1.00 0.71 C ATOM 0 H ALA A 24 11.896 -1.906 -2.380 1.00 0.77 H new ATOM 0 HA ALA A 24 9.506 -3.494 -2.409 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.686 -2.764 -0.213 1.00 0.71 H new ATOM 0 HB2 ALA A 24 10.111 -3.820 -0.063 1.00 0.71 H new ATOM 0 HB3 ALA A 24 10.280 -2.061 0.148 1.00 0.71 H new ATOM 368 N GLU A 25 8.378 -1.385 -3.071 1.00 0.54 N ATOM 369 CA GLU A 25 7.782 -0.174 -3.605 1.00 0.52 C ATOM 370 C GLU A 25 6.265 -0.274 -3.608 1.00 0.43 C ATOM 371 O GLU A 25 5.692 -1.238 -4.127 1.00 0.45 O ATOM 372 CB GLU A 25 8.289 0.088 -5.027 1.00 0.65 C ATOM 373 CG GLU A 25 7.830 1.417 -5.614 1.00 0.84 C ATOM 374 CD GLU A 25 6.860 1.247 -6.765 1.00 0.87 C ATOM 375 OE1 GLU A 25 7.320 1.138 -7.923 1.00 1.33 O ATOM 376 OE2 GLU A 25 5.635 1.229 -6.529 1.00 1.02 O ATOM 0 H GLU A 25 7.852 -2.236 -3.270 1.00 0.54 H new ATOM 0 HA GLU A 25 8.074 0.658 -2.964 1.00 0.52 H new ATOM 0 HB2 GLU A 25 9.379 0.061 -5.024 1.00 0.65 H new ATOM 0 HB3 GLU A 25 7.952 -0.720 -5.676 1.00 0.65 H new ATOM 0 HG2 GLU A 25 7.358 2.011 -4.831 1.00 0.84 H new ATOM 0 HG3 GLU A 25 8.700 1.977 -5.958 1.00 0.84 H new ATOM 383 N ILE A 26 5.629 0.715 -3.005 1.00 0.40 N ATOM 384 CA ILE A 26 4.181 0.777 -2.952 1.00 0.33 C ATOM 385 C ILE A 26 3.707 2.086 -3.585 1.00 0.33 C ATOM 386 O ILE A 26 4.089 3.178 -3.158 1.00 0.38 O ATOM 387 CB ILE A 26 3.643 0.635 -1.503 1.00 0.34 C ATOM 388 CG1 ILE A 26 2.112 0.691 -1.491 1.00 0.30 C ATOM 389 CG2 ILE A 26 4.226 1.700 -0.586 1.00 0.41 C ATOM 390 CD1 ILE A 26 1.506 0.422 -0.131 1.00 0.34 C ATOM 0 H ILE A 26 6.099 1.493 -2.541 1.00 0.40 H new ATOM 0 HA ILE A 26 3.782 -0.066 -3.516 1.00 0.33 H new ATOM 0 HB ILE A 26 3.959 -0.337 -1.124 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.790 1.674 -1.835 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.725 -0.038 -2.203 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.828 1.571 0.421 1.00 0.41 H new ATOM 0 HG22 ILE A 26 5.312 1.605 -0.562 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.957 2.688 -0.959 1.00 0.41 H new ATOM 0 HD11 ILE A 26 0.420 0.478 -0.199 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.797 -0.572 0.207 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.864 1.166 0.580 1.00 0.34 H new ATOM 402 N THR A 27 2.904 1.968 -4.626 1.00 0.33 N ATOM 403 CA THR A 27 2.389 3.128 -5.340 1.00 0.35 C ATOM 404 C THR A 27 0.890 3.290 -5.127 1.00 0.37 C ATOM 405 O THR A 27 0.157 2.303 -5.012 1.00 0.41 O ATOM 406 CB THR A 27 2.671 3.013 -6.846 1.00 0.40 C ATOM 407 OG1 THR A 27 3.091 1.678 -7.161 1.00 0.60 O ATOM 408 CG2 THR A 27 3.729 4.001 -7.299 1.00 0.51 C ATOM 0 H THR A 27 2.590 1.073 -5.001 1.00 0.33 H new ATOM 0 HA THR A 27 2.901 4.003 -4.940 1.00 0.35 H new ATOM 0 HB THR A 27 1.747 3.247 -7.375 1.00 0.40 H new ATOM 0 HG1 THR A 27 4.070 1.633 -7.156 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.899 3.887 -8.370 1.00 0.51 H new ATOM 0 HG22 THR A 27 3.391 5.016 -7.091 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.658 3.811 -6.762 1.00 0.51 H new ATOM 416 N TYR A 28 0.447 4.536 -5.076 1.00 0.39 N ATOM 417 CA TYR A 28 -0.960 4.846 -4.884 1.00 0.45 C ATOM 418 C TYR A 28 -1.338 6.074 -5.700 1.00 0.48 C ATOM 419 O TYR A 28 -0.467 6.746 -6.259 1.00 0.68 O ATOM 420 CB TYR A 28 -1.271 5.069 -3.394 1.00 0.48 C ATOM 421 CG TYR A 28 -0.582 6.271 -2.772 1.00 0.49 C ATOM 422 CD1 TYR A 28 -1.168 7.532 -2.810 1.00 0.59 C ATOM 423 CD2 TYR A 28 0.660 6.147 -2.156 1.00 0.51 C ATOM 424 CE1 TYR A 28 -0.538 8.629 -2.254 1.00 0.66 C ATOM 425 CE2 TYR A 28 1.292 7.240 -1.596 1.00 0.60 C ATOM 426 CZ TYR A 28 0.668 8.473 -1.616 1.00 0.65 C ATOM 427 OH TYR A 28 1.324 9.564 -1.088 1.00 0.76 O ATOM 0 H TYR A 28 1.048 5.355 -5.166 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.553 3.999 -5.228 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.348 5.184 -3.276 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.983 4.176 -2.840 1.00 0.48 H new ATOM 0 HD1 TYR A 28 -2.132 7.656 -3.282 1.00 0.59 H new ATOM 0 HD2 TYR A 28 1.138 5.179 -2.115 1.00 0.51 H new ATOM 0 HE1 TYR A 28 -0.993 9.606 -2.321 1.00 0.66 H new ATOM 0 HE2 TYR A 28 2.268 7.132 -1.145 1.00 0.60 H new ATOM 0 HH TYR A 28 2.162 9.272 -0.672 1.00 0.76 H new ATOM 437 N ARG A 29 -2.628 6.358 -5.785 1.00 0.42 N ATOM 438 CA ARG A 29 -3.104 7.513 -6.529 1.00 0.48 C ATOM 439 C ARG A 29 -4.421 8.002 -5.956 1.00 0.48 C ATOM 440 O ARG A 29 -5.165 7.235 -5.336 1.00 0.49 O ATOM 441 CB ARG A 29 -3.283 7.158 -8.005 1.00 0.56 C ATOM 442 CG ARG A 29 -2.997 8.310 -8.952 1.00 0.93 C ATOM 443 CD ARG A 29 -1.751 8.050 -9.786 1.00 1.22 C ATOM 444 NE ARG A 29 -0.581 7.751 -8.959 1.00 1.83 N ATOM 445 CZ ARG A 29 0.630 8.272 -9.155 1.00 2.81 C ATOM 446 NH1 ARG A 29 0.837 9.151 -10.127 1.00 3.23 N ATOM 447 NH2 ARG A 29 1.637 7.917 -8.366 1.00 3.63 N ATOM 0 H ARG A 29 -3.364 5.804 -5.348 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.362 8.307 -6.443 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.624 6.325 -8.251 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.305 6.814 -8.165 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -3.852 8.462 -9.611 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.868 9.229 -8.380 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -1.937 7.216 -10.463 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.542 8.923 -10.405 1.00 1.22 H new ATOM 0 HE ARG A 29 -0.700 7.101 -8.182 1.00 1.83 H new ATOM 0 HH11 ARG A 29 0.066 9.433 -10.732 1.00 3.23 H new ATOM 0 HH12 ARG A 29 1.767 9.544 -10.269 1.00 3.23 H new ATOM 0 HH21 ARG A 29 1.483 7.247 -7.612 1.00 3.63 H new ATOM 0 HH22 ARG A 29 2.565 8.314 -8.514 1.00 3.63 H new ATOM 461 N PHE A 30 -4.700 9.279 -6.155 1.00 0.56 N ATOM 462 CA PHE A 30 -5.935 9.878 -5.674 1.00 0.60 C ATOM 463 C PHE A 30 -7.014 9.726 -6.735 1.00 0.68 C ATOM 464 O PHE A 30 -7.021 10.443 -7.736 1.00 0.83 O ATOM 465 CB PHE A 30 -5.729 11.357 -5.327 1.00 0.66 C ATOM 466 CG PHE A 30 -4.900 11.584 -4.093 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.523 11.434 -4.129 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.498 11.947 -2.895 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.759 11.642 -2.995 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.740 12.158 -1.760 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.364 12.003 -1.811 1.00 0.82 C ATOM 0 H PHE A 30 -4.084 9.925 -6.649 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.246 9.364 -4.764 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.251 11.855 -6.171 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.703 11.827 -5.190 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -3.041 11.151 -5.053 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.570 12.066 -2.849 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.687 11.521 -3.038 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.219 12.443 -0.835 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.768 12.165 -0.925 1.00 0.82 H new ATOM 481 N VAL A 31 -7.915 8.781 -6.513 1.00 0.62 N ATOM 482 CA VAL A 31 -8.982 8.507 -7.466 1.00 0.70 C ATOM 483 C VAL A 31 -10.035 9.613 -7.489 1.00 0.73 C ATOM 484 O VAL A 31 -10.514 9.991 -8.558 1.00 0.83 O ATOM 485 CB VAL A 31 -9.657 7.147 -7.190 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.691 6.008 -7.483 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.161 7.064 -5.758 1.00 0.67 C ATOM 0 H VAL A 31 -7.929 8.190 -5.681 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.509 8.470 -8.447 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.517 7.056 -7.853 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.181 5.055 -7.284 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.388 6.048 -8.529 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.812 6.104 -6.846 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.632 6.095 -5.594 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.324 7.182 -5.070 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.890 7.855 -5.582 1.00 0.67 H new ATOM 497 N ASP A 32 -10.385 10.143 -6.324 1.00 0.72 N ATOM 498 CA ASP A 32 -11.388 11.199 -6.257 1.00 0.84 C ATOM 499 C ASP A 32 -10.856 12.422 -5.520 1.00 0.97 C ATOM 500 O ASP A 32 -10.403 13.378 -6.149 1.00 1.74 O ATOM 501 CB ASP A 32 -12.674 10.697 -5.595 1.00 0.84 C ATOM 502 CG ASP A 32 -13.838 11.648 -5.810 1.00 0.97 C ATOM 503 OD1 ASP A 32 -14.536 11.523 -6.837 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.064 12.524 -4.946 1.00 1.16 O ATOM 0 H ASP A 32 -9.996 9.864 -5.423 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.620 11.493 -7.281 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.929 9.716 -5.997 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.504 10.569 -4.526 1.00 0.84 H new ATOM 509 N ASN A 33 -10.886 12.394 -4.191 1.00 0.89 N ATOM 510 CA ASN A 33 -10.418 13.536 -3.408 1.00 0.95 C ATOM 511 C ASN A 33 -9.525 13.110 -2.250 1.00 0.84 C ATOM 512 O ASN A 33 -8.359 13.495 -2.180 1.00 1.07 O ATOM 513 CB ASN A 33 -11.607 14.335 -2.866 1.00 1.09 C ATOM 514 CG ASN A 33 -12.096 15.394 -3.835 1.00 1.82 C ATOM 515 OD1 ASN A 33 -11.616 16.529 -3.830 1.00 2.09 O ATOM 516 ND2 ASN A 33 -13.051 15.034 -4.674 1.00 2.72 N ATOM 0 H ASN A 33 -11.224 11.606 -3.639 1.00 0.89 H new ATOM 0 HA ASN A 33 -9.827 14.161 -4.078 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -12.425 13.651 -2.640 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.321 14.812 -1.928 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -13.417 15.706 -5.349 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -13.422 14.084 -4.647 1.00 2.72 H new ATOM 523 N ASN A 34 -10.073 12.313 -1.344 1.00 0.73 N ATOM 524 CA ASN A 34 -9.322 11.863 -0.177 1.00 0.86 C ATOM 525 C ASN A 34 -9.048 10.370 -0.256 1.00 0.88 C ATOM 526 O ASN A 34 -8.370 9.804 0.596 1.00 1.22 O ATOM 527 CB ASN A 34 -10.092 12.183 1.112 1.00 1.01 C ATOM 528 CG ASN A 34 -10.044 13.654 1.482 1.00 1.35 C ATOM 529 OD1 ASN A 34 -9.092 14.363 1.152 1.00 1.84 O ATOM 530 ND2 ASN A 34 -11.064 14.122 2.186 1.00 1.83 N ATOM 0 H ASN A 34 -11.031 11.965 -1.392 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.370 12.393 -0.163 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.132 11.878 0.993 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -9.679 11.594 1.931 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -11.079 15.100 2.474 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -11.834 13.504 2.440 1.00 1.83 H new ATOM 537 N GLU A 35 -9.583 9.738 -1.283 1.00 0.64 N ATOM 538 CA GLU A 35 -9.414 8.309 -1.478 1.00 0.62 C ATOM 539 C GLU A 35 -8.114 7.990 -2.209 1.00 0.57 C ATOM 540 O GLU A 35 -7.912 8.399 -3.356 1.00 0.59 O ATOM 541 CB GLU A 35 -10.602 7.744 -2.258 1.00 0.68 C ATOM 542 CG GLU A 35 -11.951 8.106 -1.658 1.00 1.01 C ATOM 543 CD GLU A 35 -12.569 9.352 -2.271 1.00 1.41 C ATOM 544 OE1 GLU A 35 -11.813 10.306 -2.550 1.00 2.25 O ATOM 545 OE2 GLU A 35 -13.802 9.380 -2.485 1.00 1.47 O ATOM 0 H GLU A 35 -10.143 10.196 -2.002 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.367 7.842 -0.494 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.560 8.110 -3.284 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.513 6.659 -2.303 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.635 7.268 -1.789 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.834 8.258 -0.585 1.00 1.01 H new ATOM 552 N ILE A 36 -7.238 7.266 -1.532 1.00 0.52 N ATOM 553 CA ILE A 36 -5.966 6.859 -2.106 1.00 0.48 C ATOM 554 C ILE A 36 -6.014 5.373 -2.434 1.00 0.46 C ATOM 555 O ILE A 36 -6.229 4.540 -1.554 1.00 0.53 O ATOM 556 CB ILE A 36 -4.775 7.154 -1.168 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.038 6.632 0.249 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.495 8.646 -1.136 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.841 6.745 1.167 1.00 0.51 C ATOM 0 H ILE A 36 -7.387 6.946 -0.575 1.00 0.52 H new ATOM 0 HA ILE A 36 -5.810 7.442 -3.014 1.00 0.48 H new ATOM 0 HB ILE A 36 -3.900 6.634 -1.558 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.871 7.185 0.682 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.344 5.587 0.192 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.654 8.844 -0.472 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.254 8.993 -2.141 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.376 9.174 -0.772 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.100 6.357 2.152 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.012 6.169 0.756 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.547 7.791 1.255 1.00 0.51 H new ATOM 571 N ASN A 37 -5.843 5.049 -3.704 1.00 0.44 N ATOM 572 CA ASN A 37 -5.893 3.662 -4.143 1.00 0.46 C ATOM 573 C ASN A 37 -4.504 3.100 -4.392 1.00 0.42 C ATOM 574 O ASN A 37 -3.759 3.614 -5.223 1.00 0.50 O ATOM 575 CB ASN A 37 -6.735 3.533 -5.416 1.00 0.54 C ATOM 576 CG ASN A 37 -6.730 2.123 -5.976 1.00 0.86 C ATOM 577 OD1 ASN A 37 -7.467 1.254 -5.510 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.908 1.886 -6.987 1.00 0.98 N ATOM 0 H ASN A 37 -5.669 5.724 -4.449 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.354 3.086 -3.341 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.761 3.831 -5.201 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.355 4.221 -6.171 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -5.871 0.957 -7.407 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.312 2.632 -7.346 1.00 0.98 H new ATOM 585 N ILE A 38 -4.163 2.053 -3.658 1.00 0.36 N ATOM 586 CA ILE A 38 -2.879 1.394 -3.825 1.00 0.33 C ATOM 587 C ILE A 38 -2.999 0.385 -4.960 1.00 0.41 C ATOM 588 O ILE A 38 -3.686 -0.633 -4.834 1.00 0.53 O ATOM 589 CB ILE A 38 -2.414 0.680 -2.534 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.120 1.695 -1.423 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.182 -0.169 -2.806 1.00 0.37 C ATOM 592 CD1 ILE A 38 -3.321 2.039 -0.567 1.00 0.69 C ATOM 0 H ILE A 38 -4.759 1.641 -2.940 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.131 2.152 -4.056 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.222 0.029 -2.201 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.332 1.299 -0.782 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -1.734 2.610 -1.874 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -0.870 -0.663 -1.886 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.417 -0.920 -3.560 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.374 0.467 -3.168 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -3.030 2.762 0.195 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -4.104 2.467 -1.193 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -3.695 1.136 -0.085 1.00 0.69 H new ATOM 604 N ASP A 39 -2.347 0.677 -6.071 1.00 0.52 N ATOM 605 CA ASP A 39 -2.419 -0.191 -7.237 1.00 0.73 C ATOM 606 C ASP A 39 -1.259 -1.173 -7.297 1.00 0.50 C ATOM 607 O ASP A 39 -1.411 -2.288 -7.792 1.00 0.64 O ATOM 608 CB ASP A 39 -2.449 0.647 -8.516 1.00 1.08 C ATOM 609 CG ASP A 39 -2.821 -0.175 -9.731 1.00 1.73 C ATOM 610 OD1 ASP A 39 -4.007 -0.550 -9.855 1.00 2.47 O ATOM 611 OD2 ASP A 39 -1.936 -0.442 -10.572 1.00 2.16 O ATOM 0 H ASP A 39 -1.763 1.505 -6.192 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.339 -0.770 -7.150 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -3.164 1.461 -8.398 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -1.471 1.102 -8.673 1.00 1.08 H new ATOM 616 N HIS A 40 -0.109 -0.779 -6.778 1.00 0.37 N ATOM 617 CA HIS A 40 1.054 -1.650 -6.827 1.00 0.44 C ATOM 618 C HIS A 40 1.748 -1.763 -5.476 1.00 0.39 C ATOM 619 O HIS A 40 2.097 -0.762 -4.855 1.00 0.42 O ATOM 620 CB HIS A 40 2.044 -1.144 -7.884 1.00 0.72 C ATOM 621 CG HIS A 40 3.299 -1.961 -7.990 1.00 0.72 C ATOM 622 ND1 HIS A 40 3.413 -3.056 -8.814 1.00 1.59 N ATOM 623 CD2 HIS A 40 4.496 -1.838 -7.367 1.00 0.92 C ATOM 624 CE1 HIS A 40 4.621 -3.573 -8.694 1.00 2.12 C ATOM 625 NE2 HIS A 40 5.299 -2.853 -7.822 1.00 1.64 N ATOM 0 H HIS A 40 0.045 0.122 -6.325 1.00 0.37 H new ATOM 0 HA HIS A 40 0.703 -2.646 -7.097 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.548 -1.132 -8.855 1.00 0.72 H new ATOM 0 HB3 HIS A 40 2.313 -0.114 -7.651 1.00 0.72 H new ATOM 0 HD2 HIS A 40 4.768 -1.081 -6.646 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.992 -4.440 -9.221 1.00 2.12 H new ATOM 0 HE2 HIS A 40 6.262 -3.023 -7.533 1.00 1.64 H new ATOM 634 N THR A 41 1.926 -2.996 -5.035 1.00 0.41 N ATOM 635 CA THR A 41 2.615 -3.294 -3.792 1.00 0.45 C ATOM 636 C THR A 41 3.616 -4.410 -4.055 1.00 0.54 C ATOM 637 O THR A 41 3.290 -5.590 -3.944 1.00 0.73 O ATOM 638 CB THR A 41 1.637 -3.731 -2.686 1.00 0.48 C ATOM 639 OG1 THR A 41 0.409 -3.003 -2.808 1.00 0.48 O ATOM 640 CG2 THR A 41 2.237 -3.498 -1.305 1.00 0.55 C ATOM 0 H THR A 41 1.595 -3.823 -5.532 1.00 0.41 H new ATOM 0 HA THR A 41 3.118 -2.391 -3.447 1.00 0.45 H new ATOM 0 HB THR A 41 1.443 -4.797 -2.802 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.601 -2.079 -3.070 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.527 -3.815 -0.541 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.157 -4.074 -1.206 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.457 -2.438 -1.178 1.00 0.55 H new ATOM 648 N GLY A 42 4.826 -4.036 -4.436 1.00 0.55 N ATOM 649 CA GLY A 42 5.827 -5.026 -4.746 1.00 0.66 C ATOM 650 C GLY A 42 6.972 -5.039 -3.767 1.00 0.64 C ATOM 651 O GLY A 42 7.506 -3.989 -3.411 1.00 0.70 O ATOM 0 H GLY A 42 5.130 -3.067 -4.535 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.361 -6.011 -4.763 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.216 -4.839 -5.747 1.00 0.66 H new ATOM 655 N VAL A 43 7.330 -6.231 -3.323 1.00 0.67 N ATOM 656 CA VAL A 43 8.434 -6.415 -2.398 1.00 0.71 C ATOM 657 C VAL A 43 9.342 -7.511 -2.935 1.00 0.74 C ATOM 658 O VAL A 43 8.867 -8.568 -3.345 1.00 0.82 O ATOM 659 CB VAL A 43 7.952 -6.796 -0.978 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.128 -6.886 -0.019 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.927 -5.796 -0.465 1.00 0.80 C ATOM 0 H VAL A 43 6.864 -7.097 -3.593 1.00 0.67 H new ATOM 0 HA VAL A 43 8.969 -5.469 -2.317 1.00 0.71 H new ATOM 0 HB VAL A 43 7.475 -7.775 -1.036 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.768 -7.155 0.974 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.826 -7.646 -0.370 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.634 -5.922 0.027 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.604 -6.086 0.535 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.375 -4.803 -0.428 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.067 -5.781 -1.134 1.00 0.80 H new ATOM 671 N SER A 44 10.633 -7.249 -2.952 1.00 0.82 N ATOM 672 CA SER A 44 11.593 -8.212 -3.451 1.00 0.90 C ATOM 673 C SER A 44 11.937 -9.240 -2.383 1.00 1.01 C ATOM 674 O SER A 44 12.399 -8.896 -1.295 1.00 1.32 O ATOM 675 CB SER A 44 12.854 -7.494 -3.914 1.00 1.27 C ATOM 676 OG SER A 44 12.522 -6.292 -4.591 1.00 1.83 O ATOM 0 H SER A 44 11.043 -6.374 -2.625 1.00 0.82 H new ATOM 0 HA SER A 44 11.148 -8.737 -4.296 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.489 -7.272 -3.056 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.428 -8.144 -4.575 1.00 1.27 H new ATOM 0 HG SER A 44 13.324 -5.924 -5.017 1.00 1.83 H new ATOM 682 N ASP A 45 11.711 -10.502 -2.703 1.00 1.10 N ATOM 683 CA ASP A 45 11.997 -11.588 -1.777 1.00 1.45 C ATOM 684 C ASP A 45 13.328 -12.242 -2.137 1.00 1.27 C ATOM 685 O ASP A 45 13.682 -13.304 -1.621 1.00 1.73 O ATOM 686 CB ASP A 45 10.859 -12.618 -1.777 1.00 2.05 C ATOM 687 CG ASP A 45 10.896 -13.558 -2.967 1.00 2.57 C ATOM 688 OD1 ASP A 45 10.607 -13.106 -4.095 1.00 3.12 O ATOM 689 OD2 ASP A 45 11.224 -14.747 -2.781 1.00 2.90 O ATOM 0 H ASP A 45 11.329 -10.802 -3.600 1.00 1.10 H new ATOM 0 HA ASP A 45 12.073 -11.180 -0.769 1.00 1.45 H new ATOM 0 HB2 ASP A 45 10.909 -13.204 -0.859 1.00 2.05 H new ATOM 0 HB3 ASP A 45 9.904 -12.093 -1.768 1.00 2.05 H new ATOM 694 N GLU A 46 14.077 -11.576 -3.011 1.00 1.36 N ATOM 695 CA GLU A 46 15.385 -12.059 -3.456 1.00 1.66 C ATOM 696 C GLU A 46 16.403 -12.027 -2.316 1.00 1.96 C ATOM 697 O GLU A 46 17.532 -12.491 -2.464 1.00 2.52 O ATOM 698 CB GLU A 46 15.906 -11.207 -4.620 1.00 2.19 C ATOM 699 CG GLU A 46 15.092 -11.332 -5.897 1.00 2.65 C ATOM 700 CD GLU A 46 13.964 -10.324 -5.975 1.00 3.34 C ATOM 701 OE1 GLU A 46 12.863 -10.616 -5.470 1.00 3.80 O ATOM 702 OE2 GLU A 46 14.176 -9.228 -6.541 1.00 3.79 O ATOM 0 H GLU A 46 13.798 -10.689 -3.431 1.00 1.36 H new ATOM 0 HA GLU A 46 15.258 -13.090 -3.787 1.00 1.66 H new ATOM 0 HB2 GLU A 46 15.920 -10.161 -4.312 1.00 2.19 H new ATOM 0 HB3 GLU A 46 16.937 -11.491 -4.830 1.00 2.19 H new ATOM 0 HG2 GLU A 46 15.750 -11.201 -6.756 1.00 2.65 H new ATOM 0 HG3 GLU A 46 14.679 -12.339 -5.962 1.00 2.65 H new ATOM 709 N LEU A 47 16.002 -11.459 -1.188 1.00 2.08 N ATOM 710 CA LEU A 47 16.873 -11.367 -0.029 1.00 2.74 C ATOM 711 C LEU A 47 16.318 -12.209 1.115 1.00 2.84 C ATOM 712 O LEU A 47 16.810 -12.149 2.241 1.00 3.61 O ATOM 713 CB LEU A 47 17.037 -9.908 0.422 1.00 3.16 C ATOM 714 CG LEU A 47 17.802 -8.998 -0.544 1.00 3.70 C ATOM 715 CD1 LEU A 47 16.875 -8.446 -1.618 1.00 4.35 C ATOM 716 CD2 LEU A 47 18.475 -7.864 0.215 1.00 4.47 C ATOM 0 H LEU A 47 15.076 -11.054 -1.052 1.00 2.08 H new ATOM 0 HA LEU A 47 17.854 -11.750 -0.311 1.00 2.74 H new ATOM 0 HB2 LEU A 47 16.046 -9.483 0.585 1.00 3.16 H new ATOM 0 HB3 LEU A 47 17.550 -9.899 1.384 1.00 3.16 H new ATOM 0 HG LEU A 47 18.573 -9.593 -1.035 1.00 3.70 H new ATOM 0 HD11 LEU A 47 17.441 -7.803 -2.292 1.00 4.35 H new ATOM 0 HD12 LEU A 47 16.441 -9.271 -2.183 1.00 4.35 H new ATOM 0 HD13 LEU A 47 16.078 -7.868 -1.149 1.00 4.35 H new ATOM 0 HD21 LEU A 47 19.014 -7.227 -0.486 1.00 4.47 H new ATOM 0 HD22 LEU A 47 17.719 -7.274 0.734 1.00 4.47 H new ATOM 0 HD23 LEU A 47 19.175 -8.277 0.942 1.00 4.47 H new ATOM 728 N GLY A 48 15.295 -12.998 0.820 1.00 2.46 N ATOM 729 CA GLY A 48 14.692 -13.840 1.832 1.00 3.19 C ATOM 730 C GLY A 48 13.240 -13.486 2.083 1.00 3.20 C ATOM 731 O GLY A 48 12.447 -13.391 1.145 1.00 3.86 O ATOM 0 H GLY A 48 14.871 -13.070 -0.105 1.00 2.46 H new ATOM 0 HA2 GLY A 48 14.761 -14.883 1.523 1.00 3.19 H new ATOM 0 HA3 GLY A 48 15.253 -13.745 2.762 1.00 3.19 H new ATOM 735 N GLY A 49 12.890 -13.295 3.347 1.00 2.85 N ATOM 736 CA GLY A 49 11.527 -12.956 3.703 1.00 3.05 C ATOM 737 C GLY A 49 11.394 -11.497 4.078 1.00 2.17 C ATOM 738 O GLY A 49 11.386 -11.148 5.260 1.00 2.73 O ATOM 0 H GLY A 49 13.531 -13.369 4.137 1.00 2.85 H new ATOM 0 HA2 GLY A 49 10.866 -13.178 2.865 1.00 3.05 H new ATOM 0 HA3 GLY A 49 11.204 -13.577 4.538 1.00 3.05 H new ATOM 742 N GLN A 50 11.303 -10.644 3.072 1.00 1.42 N ATOM 743 CA GLN A 50 11.181 -9.211 3.293 1.00 1.52 C ATOM 744 C GLN A 50 9.725 -8.797 3.484 1.00 1.37 C ATOM 745 O GLN A 50 8.932 -8.809 2.543 1.00 2.20 O ATOM 746 CB GLN A 50 11.790 -8.435 2.121 1.00 2.43 C ATOM 747 CG GLN A 50 13.208 -7.947 2.380 1.00 2.96 C ATOM 748 CD GLN A 50 14.205 -9.076 2.566 1.00 3.04 C ATOM 749 OE1 GLN A 50 14.070 -10.147 1.978 1.00 3.39 O ATOM 750 NE2 GLN A 50 15.211 -8.841 3.392 1.00 3.44 N ATOM 0 H GLN A 50 11.311 -10.919 2.090 1.00 1.42 H new ATOM 0 HA GLN A 50 11.726 -8.972 4.206 1.00 1.52 H new ATOM 0 HB2 GLN A 50 11.791 -9.072 1.236 1.00 2.43 H new ATOM 0 HB3 GLN A 50 11.156 -7.578 1.896 1.00 2.43 H new ATOM 0 HG2 GLN A 50 13.528 -7.322 1.546 1.00 2.96 H new ATOM 0 HG3 GLN A 50 13.212 -7.318 3.270 1.00 2.96 H new ATOM 0 HE21 GLN A 50 15.286 -7.938 3.860 1.00 3.44 H new ATOM 0 HE22 GLN A 50 15.912 -9.563 3.561 1.00 3.44 H new ATOM 759 N GLY A 51 9.379 -8.428 4.708 1.00 1.01 N ATOM 760 CA GLY A 51 8.028 -7.992 4.997 1.00 1.11 C ATOM 761 C GLY A 51 7.942 -6.481 5.033 1.00 0.88 C ATOM 762 O GLY A 51 7.155 -5.905 5.784 1.00 0.86 O ATOM 0 H GLY A 51 10.011 -8.423 5.508 1.00 1.01 H new ATOM 0 HA2 GLY A 51 7.347 -8.381 4.240 1.00 1.11 H new ATOM 0 HA3 GLY A 51 7.707 -8.401 5.955 1.00 1.11 H new ATOM 766 N VAL A 52 8.761 -5.843 4.203 1.00 0.80 N ATOM 767 CA VAL A 52 8.817 -4.387 4.127 1.00 0.68 C ATOM 768 C VAL A 52 7.478 -3.805 3.675 1.00 0.58 C ATOM 769 O VAL A 52 7.113 -2.697 4.067 1.00 0.56 O ATOM 770 CB VAL A 52 9.934 -3.922 3.167 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.143 -2.419 3.269 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.232 -4.660 3.454 1.00 1.14 C ATOM 0 H VAL A 52 9.402 -6.318 3.567 1.00 0.80 H new ATOM 0 HA VAL A 52 9.039 -4.021 5.129 1.00 0.68 H new ATOM 0 HB VAL A 52 9.623 -4.156 2.149 1.00 0.70 H new ATOM 0 HG11 VAL A 52 10.934 -2.114 2.584 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.218 -1.904 3.007 1.00 0.91 H new ATOM 0 HG13 VAL A 52 10.426 -2.159 4.289 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.005 -4.317 2.766 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.544 -4.462 4.479 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.078 -5.731 3.322 1.00 1.14 H new ATOM 782 N GLY A 53 6.747 -4.568 2.866 1.00 0.59 N ATOM 783 CA GLY A 53 5.450 -4.119 2.381 1.00 0.58 C ATOM 784 C GLY A 53 4.488 -3.812 3.512 1.00 0.51 C ATOM 785 O GLY A 53 3.677 -2.890 3.415 1.00 0.50 O ATOM 0 H GLY A 53 7.029 -5.491 2.536 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.583 -3.228 1.768 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.019 -4.887 1.739 1.00 0.58 H new ATOM 789 N LYS A 54 4.593 -4.576 4.594 1.00 0.52 N ATOM 790 CA LYS A 54 3.736 -4.383 5.755 1.00 0.50 C ATOM 791 C LYS A 54 4.078 -3.062 6.434 1.00 0.48 C ATOM 792 O LYS A 54 3.195 -2.309 6.846 1.00 0.48 O ATOM 793 CB LYS A 54 3.905 -5.540 6.744 1.00 0.59 C ATOM 794 CG LYS A 54 3.721 -6.915 6.116 1.00 0.75 C ATOM 795 CD LYS A 54 4.046 -8.035 7.093 1.00 1.08 C ATOM 796 CE LYS A 54 2.929 -8.253 8.101 1.00 1.49 C ATOM 797 NZ LYS A 54 3.137 -7.474 9.355 1.00 2.02 N ATOM 0 H LYS A 54 5.266 -5.337 4.690 1.00 0.52 H new ATOM 0 HA LYS A 54 2.698 -4.359 5.425 1.00 0.50 H new ATOM 0 HB2 LYS A 54 4.899 -5.484 7.189 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.186 -5.421 7.554 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.692 -7.022 5.771 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.362 -7.002 5.239 1.00 0.75 H new ATOM 0 HD2 LYS A 54 4.221 -8.958 6.541 1.00 1.08 H new ATOM 0 HD3 LYS A 54 4.970 -7.799 7.621 1.00 1.08 H new ATOM 0 HE2 LYS A 54 1.977 -7.968 7.653 1.00 1.49 H new ATOM 0 HE3 LYS A 54 2.862 -9.314 8.342 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 3.163 -8.123 10.167 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 4.037 -6.956 9.297 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 2.356 -6.798 9.477 1.00 2.02 H new ATOM 811 N LYS A 55 5.373 -2.784 6.527 1.00 0.51 N ATOM 812 CA LYS A 55 5.859 -1.557 7.139 1.00 0.54 C ATOM 813 C LYS A 55 5.489 -0.355 6.277 1.00 0.47 C ATOM 814 O LYS A 55 5.102 0.697 6.786 1.00 0.48 O ATOM 815 CB LYS A 55 7.377 -1.628 7.315 1.00 0.65 C ATOM 816 CG LYS A 55 7.969 -0.424 8.029 1.00 1.28 C ATOM 817 CD LYS A 55 9.318 -0.045 7.445 1.00 1.72 C ATOM 818 CE LYS A 55 9.939 1.130 8.182 1.00 2.30 C ATOM 819 NZ LYS A 55 10.300 0.782 9.580 1.00 2.57 N ATOM 0 H LYS A 55 6.110 -3.399 6.182 1.00 0.51 H new ATOM 0 HA LYS A 55 5.392 -1.443 8.117 1.00 0.54 H new ATOM 0 HB2 LYS A 55 7.627 -2.529 7.875 1.00 0.65 H new ATOM 0 HB3 LYS A 55 7.843 -1.722 6.334 1.00 0.65 H new ATOM 0 HG2 LYS A 55 7.285 0.421 7.949 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.079 -0.646 9.090 1.00 1.28 H new ATOM 0 HD2 LYS A 55 9.990 -0.902 7.495 1.00 1.72 H new ATOM 0 HD3 LYS A 55 9.200 0.207 6.391 1.00 1.72 H new ATOM 0 HE2 LYS A 55 10.830 1.462 7.649 1.00 2.30 H new ATOM 0 HE3 LYS A 55 9.240 1.966 8.186 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 10.898 1.532 9.981 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 9.434 0.688 10.149 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.821 -0.118 9.590 1.00 2.57 H new ATOM 833 N LEU A 56 5.605 -0.528 4.964 1.00 0.46 N ATOM 834 CA LEU A 56 5.281 0.530 4.018 1.00 0.45 C ATOM 835 C LEU A 56 3.806 0.896 4.102 1.00 0.38 C ATOM 836 O LEU A 56 3.456 2.075 4.168 1.00 0.37 O ATOM 837 CB LEU A 56 5.635 0.101 2.592 1.00 0.54 C ATOM 838 CG LEU A 56 7.119 0.198 2.235 1.00 0.65 C ATOM 839 CD1 LEU A 56 7.359 -0.310 0.821 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.610 1.630 2.377 1.00 0.85 C ATOM 0 H LEU A 56 5.923 -1.395 4.531 1.00 0.46 H new ATOM 0 HA LEU A 56 5.872 1.409 4.278 1.00 0.45 H new ATOM 0 HB2 LEU A 56 5.309 -0.929 2.448 1.00 0.54 H new ATOM 0 HB3 LEU A 56 5.068 0.716 1.893 1.00 0.54 H new ATOM 0 HG LEU A 56 7.682 -0.428 2.928 1.00 0.65 H new ATOM 0 HD11 LEU A 56 8.420 -0.234 0.582 1.00 0.86 H new ATOM 0 HD12 LEU A 56 7.045 -1.351 0.750 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.785 0.291 0.116 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.668 1.679 2.119 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.043 2.277 1.708 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.472 1.962 3.406 1.00 0.85 H new ATOM 852 N LEU A 57 2.946 -0.116 4.116 1.00 0.37 N ATOM 853 CA LEU A 57 1.511 0.115 4.197 1.00 0.36 C ATOM 854 C LEU A 57 1.157 0.784 5.520 1.00 0.34 C ATOM 855 O LEU A 57 0.260 1.620 5.577 1.00 0.37 O ATOM 856 CB LEU A 57 0.731 -1.192 4.043 1.00 0.43 C ATOM 857 CG LEU A 57 -0.779 -1.017 3.850 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.093 -0.533 2.440 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.512 -2.315 4.144 1.00 0.71 C ATOM 0 H LEU A 57 3.217 -1.099 4.073 1.00 0.37 H new ATOM 0 HA LEU A 57 1.230 0.776 3.377 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.132 -1.740 3.190 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.902 -1.808 4.926 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.124 -0.260 4.555 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.171 -0.416 2.327 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.604 0.426 2.267 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.729 -1.262 1.716 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.583 -2.169 4.001 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -1.159 -3.094 3.468 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.321 -2.615 5.174 1.00 0.71 H new ATOM 871 N LYS A 58 1.877 0.420 6.579 1.00 0.36 N ATOM 872 CA LYS A 58 1.644 1.000 7.895 1.00 0.42 C ATOM 873 C LYS A 58 1.868 2.507 7.851 1.00 0.41 C ATOM 874 O LYS A 58 1.080 3.276 8.399 1.00 0.44 O ATOM 875 CB LYS A 58 2.565 0.363 8.939 1.00 0.50 C ATOM 876 CG LYS A 58 2.221 0.747 10.371 1.00 0.74 C ATOM 877 CD LYS A 58 3.128 0.050 11.373 1.00 1.10 C ATOM 878 CE LYS A 58 4.439 0.794 11.571 1.00 1.13 C ATOM 879 NZ LYS A 58 4.313 1.883 12.575 1.00 1.39 N ATOM 0 H LYS A 58 2.625 -0.273 6.549 1.00 0.36 H new ATOM 0 HA LYS A 58 0.611 0.801 8.180 1.00 0.42 H new ATOM 0 HB2 LYS A 58 2.516 -0.721 8.841 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.594 0.656 8.730 1.00 0.50 H new ATOM 0 HG2 LYS A 58 2.310 1.827 10.490 1.00 0.74 H new ATOM 0 HG3 LYS A 58 1.183 0.488 10.578 1.00 0.74 H new ATOM 0 HD2 LYS A 58 2.612 -0.036 12.329 1.00 1.10 H new ATOM 0 HD3 LYS A 58 3.335 -0.964 11.030 1.00 1.10 H new ATOM 0 HE2 LYS A 58 5.210 0.093 11.891 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.765 1.214 10.619 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 5.230 2.033 13.042 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 4.019 2.760 12.100 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 3.602 1.619 13.286 1.00 1.39 H new ATOM 893 N ALA A 59 2.936 2.918 7.174 1.00 0.43 N ATOM 894 CA ALA A 59 3.261 4.330 7.038 1.00 0.48 C ATOM 895 C ALA A 59 2.188 5.040 6.222 1.00 0.44 C ATOM 896 O ALA A 59 1.864 6.201 6.476 1.00 0.47 O ATOM 897 CB ALA A 59 4.630 4.503 6.396 1.00 0.56 C ATOM 0 H ALA A 59 3.592 2.289 6.710 1.00 0.43 H new ATOM 0 HA ALA A 59 3.293 4.779 8.031 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.856 5.565 6.302 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.387 4.024 7.018 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.629 4.044 5.408 1.00 0.56 H new ATOM 903 N VAL A 60 1.641 4.331 5.239 1.00 0.39 N ATOM 904 CA VAL A 60 0.581 4.877 4.401 1.00 0.38 C ATOM 905 C VAL A 60 -0.672 5.084 5.245 1.00 0.37 C ATOM 906 O VAL A 60 -1.308 6.135 5.182 1.00 0.40 O ATOM 907 CB VAL A 60 0.252 3.950 3.209 1.00 0.38 C ATOM 908 CG1 VAL A 60 -0.871 4.529 2.363 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.487 3.722 2.354 1.00 0.41 C ATOM 0 H VAL A 60 1.915 3.377 5.004 1.00 0.39 H new ATOM 0 HA VAL A 60 0.929 5.827 3.996 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.079 2.992 3.610 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.083 3.858 1.531 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -1.766 4.643 2.975 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -0.570 5.503 1.976 1.00 0.44 H new ATOM 0 HG21 VAL A 60 1.236 3.067 1.520 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.845 4.677 1.970 1.00 0.41 H new ATOM 0 HG23 VAL A 60 2.267 3.258 2.958 1.00 0.41 H new ATOM 919 N VAL A 61 -0.996 4.078 6.052 1.00 0.36 N ATOM 920 CA VAL A 61 -2.155 4.128 6.938 1.00 0.40 C ATOM 921 C VAL A 61 -2.024 5.300 7.908 1.00 0.44 C ATOM 922 O VAL A 61 -2.965 6.074 8.105 1.00 0.49 O ATOM 923 CB VAL A 61 -2.305 2.808 7.733 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.383 2.927 8.797 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.615 1.650 6.796 1.00 0.43 C ATOM 0 H VAL A 61 -0.465 3.209 6.110 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.044 4.264 6.323 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.356 2.611 8.232 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.465 1.985 9.339 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.121 3.724 9.493 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.337 3.158 8.324 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.717 0.731 7.374 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.546 1.850 6.266 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -1.805 1.538 6.076 1.00 0.43 H new ATOM 935 N GLU A 62 -0.839 5.431 8.490 1.00 0.47 N ATOM 936 CA GLU A 62 -0.550 6.507 9.425 1.00 0.54 C ATOM 937 C GLU A 62 -0.725 7.862 8.749 1.00 0.55 C ATOM 938 O GLU A 62 -1.404 8.745 9.272 1.00 0.61 O ATOM 939 CB GLU A 62 0.874 6.364 9.960 1.00 0.61 C ATOM 940 CG GLU A 62 1.014 5.297 11.031 1.00 1.05 C ATOM 941 CD GLU A 62 2.456 5.026 11.395 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.259 5.984 11.414 1.00 1.53 O ATOM 943 OE2 GLU A 62 2.796 3.854 11.664 1.00 1.76 O ATOM 0 H GLU A 62 -0.056 4.798 8.328 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.250 6.444 10.258 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.543 6.127 9.132 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.198 7.321 10.368 1.00 0.61 H new ATOM 0 HG2 GLU A 62 0.470 5.609 11.923 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.551 4.374 10.682 1.00 1.05 H new ATOM 950 N HIS A 63 -0.130 8.003 7.566 1.00 0.54 N ATOM 951 CA HIS A 63 -0.210 9.245 6.803 1.00 0.61 C ATOM 952 C HIS A 63 -1.653 9.545 6.408 1.00 0.61 C ATOM 953 O HIS A 63 -2.081 10.705 6.391 1.00 0.69 O ATOM 954 CB HIS A 63 0.670 9.152 5.556 1.00 0.67 C ATOM 955 CG HIS A 63 1.053 10.480 4.974 1.00 0.78 C ATOM 956 ND1 HIS A 63 1.286 11.602 5.738 1.00 0.85 N ATOM 957 CD2 HIS A 63 1.261 10.855 3.688 1.00 0.97 C ATOM 958 CE1 HIS A 63 1.623 12.607 4.950 1.00 0.97 C ATOM 959 NE2 HIS A 63 1.615 12.180 3.703 1.00 1.04 N ATOM 0 H HIS A 63 0.415 7.268 7.114 1.00 0.54 H new ATOM 0 HA HIS A 63 0.149 10.060 7.432 1.00 0.61 H new ATOM 0 HB2 HIS A 63 1.577 8.602 5.805 1.00 0.67 H new ATOM 0 HB3 HIS A 63 0.145 8.573 4.797 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.210 11.649 6.754 1.00 0.85 H new ATOM 0 HD2 HIS A 63 1.166 10.227 2.814 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.864 13.609 5.273 1.00 0.97 H new ATOM 968 N ALA A 64 -2.401 8.495 6.092 1.00 0.56 N ATOM 969 CA ALA A 64 -3.795 8.635 5.711 1.00 0.62 C ATOM 970 C ALA A 64 -4.603 9.178 6.878 1.00 0.70 C ATOM 971 O ALA A 64 -5.410 10.086 6.714 1.00 0.85 O ATOM 972 CB ALA A 64 -4.357 7.303 5.243 1.00 0.61 C ATOM 0 H ALA A 64 -2.060 7.534 6.093 1.00 0.56 H new ATOM 0 HA ALA A 64 -3.862 9.341 4.883 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.403 7.428 4.962 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -3.789 6.951 4.382 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.283 6.573 6.049 1.00 0.61 H new ATOM 978 N ARG A 65 -4.353 8.634 8.063 1.00 0.69 N ATOM 979 CA ARG A 65 -5.043 9.062 9.272 1.00 0.82 C ATOM 980 C ARG A 65 -4.748 10.536 9.575 1.00 0.85 C ATOM 981 O ARG A 65 -5.605 11.258 10.093 1.00 0.96 O ATOM 982 CB ARG A 65 -4.618 8.177 10.449 1.00 0.89 C ATOM 983 CG ARG A 65 -5.311 8.517 11.759 1.00 1.36 C ATOM 984 CD ARG A 65 -6.653 7.818 11.887 1.00 1.44 C ATOM 985 NE ARG A 65 -7.400 8.298 13.048 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.567 7.800 13.448 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.095 6.745 12.842 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.192 8.336 14.484 1.00 3.12 N ATOM 0 H ARG A 65 -3.672 7.890 8.212 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.117 8.960 9.118 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.824 7.136 10.200 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -3.540 8.265 10.586 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -4.671 8.230 12.593 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -5.456 9.595 11.824 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.238 7.984 10.983 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.497 6.743 11.973 1.00 1.44 H new ATOM 0 HE ARG A 65 -7.000 9.066 13.587 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.606 6.307 12.061 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -9.990 6.371 13.157 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -8.779 9.129 14.974 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -10.087 7.956 14.792 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.540 10.977 9.221 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.118 12.361 9.448 1.00 0.88 C ATOM 1004 C GLU A 66 -3.917 13.337 8.584 1.00 0.89 C ATOM 1005 O GLU A 66 -4.205 14.461 8.997 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.625 12.522 9.131 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.714 11.640 9.967 1.00 1.05 C ATOM 1008 CD GLU A 66 0.741 11.730 9.546 1.00 1.33 C ATOM 1009 OE1 GLU A 66 1.016 11.685 8.328 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.620 11.849 10.426 1.00 1.38 O ATOM 0 H GLU A 66 -2.833 10.393 8.774 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.302 12.589 10.498 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.462 12.298 8.077 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.343 13.564 9.282 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.802 11.925 11.015 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.047 10.605 9.889 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.279 12.901 7.386 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.021 13.752 6.460 1.00 0.87 C ATOM 1019 C ASN A 67 -6.468 13.294 6.305 1.00 0.89 C ATOM 1020 O ASN A 67 -7.191 13.787 5.438 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.324 13.772 5.094 1.00 0.86 C ATOM 1022 CG ASN A 67 -2.991 14.495 5.126 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -2.917 15.702 4.894 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -1.923 13.763 5.408 1.00 1.09 N ATOM 0 H ASN A 67 -4.073 11.967 7.031 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.037 14.760 6.875 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.169 12.748 4.755 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -4.976 14.253 4.365 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.001 14.197 5.438 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.023 12.765 5.595 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.879 12.350 7.153 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.242 11.806 7.130 1.00 0.94 C ATOM 1033 C ASN A 68 -8.576 11.239 5.746 1.00 0.87 C ATOM 1034 O ASN A 68 -9.701 11.355 5.255 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.256 12.887 7.532 1.00 1.10 C ATOM 1036 CG ASN A 68 -10.634 12.325 7.829 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -10.779 11.173 8.245 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.657 13.138 7.621 1.00 2.18 N ATOM 0 H ASN A 68 -6.282 11.941 7.872 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.300 10.992 7.853 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -8.887 13.414 8.412 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.334 13.621 6.730 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.608 12.819 7.806 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.495 14.084 7.276 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.586 10.609 5.129 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.749 10.030 3.806 1.00 0.73 C ATOM 1047 C LEU A 69 -8.421 8.668 3.888 1.00 0.70 C ATOM 1048 O LEU A 69 -8.414 8.020 4.935 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.390 9.890 3.113 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.589 11.185 2.976 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.214 10.899 2.398 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.324 12.184 2.100 1.00 0.77 C ATOM 0 H LEU A 69 -6.656 10.486 5.528 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.383 10.699 3.224 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.790 9.169 3.668 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.549 9.474 2.118 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.472 11.617 3.970 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.657 11.831 2.307 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.677 10.218 3.058 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.321 10.442 1.414 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -5.735 13.097 2.017 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.474 11.757 1.108 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.292 12.415 2.545 1.00 0.77 H new ATOM 1064 N LYS A 70 -8.996 8.246 2.777 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.670 6.962 2.696 1.00 0.70 C ATOM 1066 C LYS A 70 -8.806 6.004 1.899 1.00 0.62 C ATOM 1067 O LYS A 70 -8.373 6.322 0.791 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.053 7.115 2.055 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.146 7.518 3.038 1.00 0.80 C ATOM 1070 CD LYS A 70 -11.912 8.907 3.611 1.00 1.70 C ATOM 1071 CE LYS A 70 -12.615 9.083 4.944 1.00 1.93 C ATOM 1072 NZ LYS A 70 -12.311 10.402 5.563 1.00 3.05 N ATOM 0 H LYS A 70 -9.010 8.781 1.908 1.00 0.72 H new ATOM 0 HA LYS A 70 -9.818 6.564 3.700 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.996 7.862 1.264 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.331 6.172 1.584 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.113 7.491 2.536 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.188 6.793 3.851 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -10.842 9.074 3.737 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -12.271 9.658 2.907 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.692 8.988 4.802 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.312 8.285 5.622 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -12.560 10.377 6.573 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -11.297 10.608 5.461 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -12.864 11.144 5.088 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.547 4.841 2.465 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.693 3.860 1.820 1.00 0.57 C ATOM 1088 C ILE A 71 -8.479 2.809 1.046 1.00 0.56 C ATOM 1089 O ILE A 71 -9.468 2.253 1.537 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.776 3.162 2.851 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -5.870 4.196 3.522 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -5.943 2.071 2.187 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.885 3.603 4.502 1.00 0.86 C ATOM 0 H ILE A 71 -8.916 4.551 3.371 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.086 4.413 1.103 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.400 2.691 3.610 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -5.320 4.737 2.752 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -6.491 4.925 4.042 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.306 1.595 2.933 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.605 1.326 1.746 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.322 2.511 1.407 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.279 4.399 4.935 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -5.426 3.086 5.295 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.238 2.895 3.984 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.026 2.576 -0.176 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.586 1.575 -1.070 1.00 0.54 C ATOM 1107 C ILE A 72 -7.428 0.974 -1.855 1.00 0.50 C ATOM 1108 O ILE A 72 -6.372 1.599 -1.961 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.641 2.153 -2.045 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.248 3.560 -2.502 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.018 2.165 -1.395 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.105 4.097 -3.626 1.00 0.99 C ATOM 0 H ILE A 72 -7.243 3.088 -0.582 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.108 0.826 -0.474 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.680 1.510 -2.925 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.312 4.239 -1.652 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.207 3.550 -2.824 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.747 2.574 -2.094 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.303 1.147 -1.128 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -10.991 2.782 -0.497 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -9.767 5.098 -3.895 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.022 3.440 -4.492 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.145 4.141 -3.302 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.587 -0.222 -2.391 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.493 -0.833 -3.126 1.00 0.43 C ATOM 1126 C ALA A 73 -6.975 -1.809 -4.187 1.00 0.43 C ATOM 1127 O ALA A 73 -7.858 -2.633 -3.937 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.547 -1.537 -2.163 1.00 0.50 C ATOM 0 H ALA A 73 -8.440 -0.779 -2.335 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.966 -0.031 -3.643 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.730 -1.992 -2.723 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.143 -0.813 -1.455 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.090 -2.311 -1.620 1.00 0.50 H new ATOM 1134 N SER A 74 -6.399 -1.694 -5.374 1.00 0.48 N ATOM 1135 CA SER A 74 -6.722 -2.586 -6.471 1.00 0.53 C ATOM 1136 C SER A 74 -5.812 -3.806 -6.400 1.00 0.46 C ATOM 1137 O SER A 74 -6.152 -4.890 -6.880 1.00 0.55 O ATOM 1138 CB SER A 74 -6.553 -1.859 -7.804 1.00 0.69 C ATOM 1139 OG SER A 74 -5.609 -0.804 -7.689 1.00 0.94 O ATOM 0 H SER A 74 -5.701 -0.986 -5.600 1.00 0.48 H new ATOM 0 HA SER A 74 -7.760 -2.910 -6.393 1.00 0.53 H new ATOM 0 HB2 SER A 74 -6.226 -2.564 -8.568 1.00 0.69 H new ATOM 0 HB3 SER A 74 -7.513 -1.459 -8.129 1.00 0.69 H new ATOM 0 HG SER A 74 -5.160 -0.672 -8.550 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.650 -3.613 -5.780 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.677 -4.683 -5.606 1.00 0.48 C ATOM 1147 C CYS A 75 -4.196 -5.670 -4.570 1.00 0.45 C ATOM 1148 O CYS A 75 -4.465 -5.290 -3.430 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.331 -4.106 -5.160 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.022 -5.337 -4.944 1.00 1.31 S ATOM 0 H CYS A 75 -4.360 -2.717 -5.388 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.533 -5.199 -6.555 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.003 -3.371 -5.895 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.472 -3.575 -4.219 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.456 -5.170 -3.786 1.00 1.31 H new ATOM 1156 N SER A 76 -4.339 -6.924 -4.972 1.00 0.57 N ATOM 1157 CA SER A 76 -4.846 -7.971 -4.095 1.00 0.64 C ATOM 1158 C SER A 76 -4.038 -8.086 -2.801 1.00 0.61 C ATOM 1159 O SER A 76 -4.607 -8.293 -1.731 1.00 0.61 O ATOM 1160 CB SER A 76 -4.840 -9.305 -4.838 1.00 0.82 C ATOM 1161 OG SER A 76 -5.248 -9.132 -6.185 1.00 1.12 O ATOM 0 H SER A 76 -4.108 -7.245 -5.912 1.00 0.57 H new ATOM 0 HA SER A 76 -5.865 -7.705 -3.814 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.840 -9.738 -4.809 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.507 -10.008 -4.339 1.00 0.82 H new ATOM 0 HG SER A 76 -5.236 -9.998 -6.644 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.720 -7.937 -2.896 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.862 -8.039 -1.722 1.00 0.62 C ATOM 1169 C PHE A 77 -2.195 -6.951 -0.702 1.00 0.55 C ATOM 1170 O PHE A 77 -2.501 -7.244 0.455 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.387 -7.948 -2.118 1.00 0.68 C ATOM 1172 CG PHE A 77 0.549 -8.353 -1.013 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.660 -9.679 -0.626 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.326 -7.404 -0.372 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.531 -10.050 0.380 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.196 -7.767 0.636 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.255 -9.109 1.044 1.00 0.95 C ATOM 0 H PHE A 77 -2.226 -7.747 -3.768 1.00 0.63 H new ATOM 0 HA PHE A 77 -2.044 -9.011 -1.264 1.00 0.62 H new ATOM 0 HB2 PHE A 77 -0.211 -8.583 -2.986 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.161 -6.925 -2.420 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.059 -10.431 -1.116 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.251 -6.367 -0.664 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.638 -11.093 0.641 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.825 -7.026 1.106 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.873 -9.393 1.883 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.146 -5.700 -1.141 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.434 -4.570 -0.264 1.00 0.46 C ATOM 1189 C ALA A 78 -3.875 -4.603 0.223 1.00 0.44 C ATOM 1190 O ALA A 78 -4.148 -4.370 1.401 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.153 -3.259 -0.978 1.00 0.47 C ATOM 0 H ALA A 78 -1.910 -5.441 -2.099 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.781 -4.647 0.605 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.373 -2.426 -0.310 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.104 -3.222 -1.271 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.780 -3.187 -1.866 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.791 -4.917 -0.687 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.208 -4.977 -0.366 1.00 0.47 C ATOM 1199 C LYS A 79 -6.470 -6.017 0.716 1.00 0.52 C ATOM 1200 O LYS A 79 -7.157 -5.742 1.699 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.022 -5.307 -1.623 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.492 -4.928 -1.525 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.380 -6.152 -1.373 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.857 -5.784 -1.452 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.734 -6.972 -1.301 1.00 1.27 N ATOM 0 H LYS A 79 -4.572 -5.135 -1.659 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.517 -4.002 0.010 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.580 -4.791 -2.475 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.945 -6.376 -1.823 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.640 -4.263 -0.674 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.785 -4.374 -2.417 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -9.142 -6.875 -2.153 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.175 -6.635 -0.418 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -11.092 -5.058 -0.673 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.060 -5.302 -2.408 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.676 -6.759 -1.687 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.322 -7.776 -1.817 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -11.820 -7.215 -0.293 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.893 -7.199 0.547 1.00 0.56 N ATOM 1220 CA HIS A 80 -6.082 -8.278 1.506 1.00 0.64 C ATOM 1221 C HIS A 80 -5.420 -7.964 2.843 1.00 0.60 C ATOM 1222 O HIS A 80 -5.873 -8.429 3.889 1.00 0.60 O ATOM 1223 CB HIS A 80 -5.548 -9.596 0.958 1.00 0.77 C ATOM 1224 CG HIS A 80 -6.012 -10.778 1.746 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -7.332 -11.168 1.799 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -5.330 -11.649 2.527 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -7.443 -12.228 2.576 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -6.244 -12.541 3.029 1.00 1.13 N ATOM 0 H HIS A 80 -5.292 -7.434 -0.243 1.00 0.56 H new ATOM 0 HA HIS A 80 -7.155 -8.375 1.672 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.865 -9.709 -0.079 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -4.458 -9.570 0.957 1.00 0.77 H new ATOM 0 HD1 HIS A 80 -8.103 -10.709 1.314 1.00 1.09 H new ATOM 0 HD2 HIS A 80 -4.267 -11.643 2.719 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -8.360 -12.751 2.803 1.00 1.21 H new ATOM 1237 N MET A 81 -4.342 -7.190 2.810 1.00 0.58 N ATOM 1238 CA MET A 81 -3.646 -6.811 4.032 1.00 0.59 C ATOM 1239 C MET A 81 -4.574 -5.975 4.904 1.00 0.54 C ATOM 1240 O MET A 81 -4.596 -6.116 6.127 1.00 0.58 O ATOM 1241 CB MET A 81 -2.376 -6.020 3.715 1.00 0.64 C ATOM 1242 CG MET A 81 -1.522 -5.742 4.943 1.00 1.25 C ATOM 1243 SD MET A 81 -0.204 -6.952 5.172 1.00 1.51 S ATOM 1244 CE MET A 81 0.835 -6.562 3.768 1.00 1.09 C ATOM 0 H MET A 81 -3.933 -6.814 1.954 1.00 0.58 H new ATOM 0 HA MET A 81 -3.357 -7.717 4.565 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.784 -6.573 2.986 1.00 0.64 H new ATOM 0 HB3 MET A 81 -2.652 -5.073 3.250 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.084 -4.748 4.857 1.00 1.25 H new ATOM 0 HG3 MET A 81 -2.159 -5.734 5.828 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.795 -7.067 3.874 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.349 -6.896 2.852 1.00 1.09 H new ATOM 0 HE3 MET A 81 0.995 -5.485 3.722 1.00 1.09 H new ATOM 1254 N LEU A 82 -5.357 -5.126 4.254 1.00 0.50 N ATOM 1255 CA LEU A 82 -6.302 -4.270 4.947 1.00 0.51 C ATOM 1256 C LEU A 82 -7.484 -5.091 5.461 1.00 0.56 C ATOM 1257 O LEU A 82 -8.041 -4.800 6.518 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.768 -3.153 4.015 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.650 -2.218 3.541 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.985 -1.612 2.186 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -5.398 -1.123 4.569 1.00 0.49 C ATOM 0 H LEU A 82 -5.354 -5.013 3.240 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.812 -3.816 5.808 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -7.246 -3.599 3.143 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -7.527 -2.562 4.527 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.739 -2.807 3.432 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -5.176 -0.953 1.872 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -6.110 -2.408 1.452 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.910 -1.040 2.262 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.601 -0.469 4.216 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -6.309 -0.541 4.712 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -5.104 -1.574 5.517 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.849 -6.128 4.710 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.943 -7.015 5.103 1.00 0.70 C ATOM 1275 C GLU A 83 -8.527 -7.850 6.309 1.00 0.68 C ATOM 1276 O GLU A 83 -9.354 -8.254 7.129 1.00 0.72 O ATOM 1277 CB GLU A 83 -9.322 -7.961 3.958 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.726 -7.264 2.672 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.151 -8.240 1.594 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -9.391 -9.191 1.298 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -11.251 -8.069 1.033 1.00 1.45 O ATOM 0 H GLU A 83 -7.404 -6.375 3.826 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.803 -6.394 5.353 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.476 -8.617 3.751 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -10.145 -8.596 4.286 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.545 -6.575 2.878 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.890 -6.666 2.308 1.00 1.15 H new ATOM 1288 N LYS A 84 -7.228 -8.104 6.396 1.00 0.67 N ATOM 1289 CA LYS A 84 -6.659 -8.892 7.476 1.00 0.69 C ATOM 1290 C LYS A 84 -6.586 -8.083 8.769 1.00 0.68 C ATOM 1291 O LYS A 84 -6.555 -8.648 9.864 1.00 0.67 O ATOM 1292 CB LYS A 84 -5.257 -9.368 7.077 1.00 0.76 C ATOM 1293 CG LYS A 84 -4.565 -10.216 8.131 1.00 0.99 C ATOM 1294 CD LYS A 84 -3.152 -9.722 8.408 1.00 1.43 C ATOM 1295 CE LYS A 84 -3.152 -8.444 9.230 1.00 1.94 C ATOM 1296 NZ LYS A 84 -3.770 -8.645 10.569 1.00 2.33 N ATOM 0 H LYS A 84 -6.542 -7.769 5.720 1.00 0.67 H new ATOM 0 HA LYS A 84 -7.304 -9.753 7.653 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -5.330 -9.943 6.154 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.637 -8.498 6.862 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -5.145 -10.196 9.053 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.530 -11.254 7.799 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.594 -10.495 8.937 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.637 -9.547 7.464 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -2.128 -8.091 9.352 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -3.695 -7.667 8.693 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -3.529 -7.843 11.186 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -4.803 -8.706 10.469 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.410 -9.526 10.989 1.00 2.33 H new ATOM 1310 N GLU A 85 -6.551 -6.766 8.647 1.00 0.84 N ATOM 1311 CA GLU A 85 -6.465 -5.910 9.818 1.00 0.96 C ATOM 1312 C GLU A 85 -7.751 -5.118 10.016 1.00 0.93 C ATOM 1313 O GLU A 85 -7.952 -4.066 9.410 1.00 0.86 O ATOM 1314 CB GLU A 85 -5.264 -4.967 9.708 1.00 1.07 C ATOM 1315 CG GLU A 85 -4.814 -4.404 11.046 1.00 1.07 C ATOM 1316 CD GLU A 85 -4.742 -5.465 12.124 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -3.928 -6.401 11.993 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -5.500 -5.369 13.110 1.00 1.60 O ATOM 0 H GLU A 85 -6.581 -6.270 7.756 1.00 0.84 H new ATOM 0 HA GLU A 85 -6.326 -6.548 10.691 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -4.432 -5.502 9.249 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -5.519 -4.142 9.042 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -3.834 -3.940 10.931 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -5.504 -3.620 11.358 1.00 1.07 H new ATOM 1325 N ASP A 86 -8.609 -5.632 10.889 1.00 1.07 N ATOM 1326 CA ASP A 86 -9.887 -4.997 11.198 1.00 1.10 C ATOM 1327 C ASP A 86 -9.670 -3.619 11.813 1.00 1.02 C ATOM 1328 O ASP A 86 -10.483 -2.712 11.643 1.00 0.99 O ATOM 1329 CB ASP A 86 -10.680 -5.883 12.164 1.00 1.36 C ATOM 1330 CG ASP A 86 -11.979 -5.251 12.620 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -12.972 -5.308 11.867 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -12.009 -4.672 13.722 1.00 2.27 O ATOM 0 H ASP A 86 -8.441 -6.498 11.402 1.00 1.07 H new ATOM 0 HA ASP A 86 -10.450 -4.874 10.273 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -10.897 -6.835 11.680 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -10.064 -6.102 13.036 1.00 1.36 H new ATOM 1337 N SER A 87 -8.547 -3.464 12.500 1.00 1.05 N ATOM 1338 CA SER A 87 -8.203 -2.210 13.154 1.00 1.08 C ATOM 1339 C SER A 87 -7.840 -1.123 12.138 1.00 0.93 C ATOM 1340 O SER A 87 -7.740 0.052 12.489 1.00 0.97 O ATOM 1341 CB SER A 87 -7.036 -2.442 14.113 1.00 1.27 C ATOM 1342 OG SER A 87 -7.009 -3.790 14.556 1.00 1.46 O ATOM 0 H SER A 87 -7.852 -4.201 12.619 1.00 1.05 H new ATOM 0 HA SER A 87 -9.075 -1.863 13.708 1.00 1.08 H new ATOM 0 HB2 SER A 87 -6.097 -2.199 13.616 1.00 1.27 H new ATOM 0 HB3 SER A 87 -7.125 -1.774 14.970 1.00 1.27 H new ATOM 0 HG SER A 87 -6.280 -4.267 14.107 1.00 1.46 H new ATOM 1348 N TYR A 88 -7.650 -1.520 10.881 1.00 0.91 N ATOM 1349 CA TYR A 88 -7.296 -0.577 9.822 1.00 0.88 C ATOM 1350 C TYR A 88 -8.536 -0.111 9.063 1.00 0.89 C ATOM 1351 O TYR A 88 -8.436 0.674 8.118 1.00 0.80 O ATOM 1352 CB TYR A 88 -6.309 -1.216 8.837 1.00 0.93 C ATOM 1353 CG TYR A 88 -4.847 -1.117 9.233 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -4.487 -0.492 10.421 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -3.831 -1.643 8.439 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -3.166 -0.390 10.806 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -2.504 -1.546 8.821 1.00 0.97 C ATOM 1358 CZ TYR A 88 -2.151 -0.952 9.915 1.00 0.93 C ATOM 1359 OH TYR A 88 -0.860 -0.818 10.396 1.00 1.00 O ATOM 0 H TYR A 88 -7.735 -2.488 10.571 1.00 0.91 H new ATOM 0 HA TYR A 88 -6.827 0.286 10.295 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -6.567 -2.269 8.720 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -6.438 -0.746 7.862 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -5.257 -0.078 11.055 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -4.082 -2.134 7.511 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -2.891 0.089 11.734 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -1.742 -1.978 8.189 1.00 0.97 H new ATOM 0 HH TYR A 88 -0.230 -1.213 9.757 1.00 1.00 H new ATOM 1369 N GLN A 89 -9.706 -0.572 9.488 1.00 1.08 N ATOM 1370 CA GLN A 89 -10.951 -0.198 8.827 1.00 1.18 C ATOM 1371 C GLN A 89 -11.378 1.219 9.198 1.00 1.16 C ATOM 1372 O GLN A 89 -12.439 1.683 8.789 1.00 1.26 O ATOM 1373 CB GLN A 89 -12.065 -1.192 9.161 1.00 1.43 C ATOM 1374 CG GLN A 89 -11.844 -2.573 8.563 1.00 1.61 C ATOM 1375 CD GLN A 89 -13.122 -3.378 8.466 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -13.831 -3.319 7.465 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -13.430 -4.136 9.503 1.00 2.33 N ATOM 0 H GLN A 89 -9.819 -1.202 10.282 1.00 1.08 H new ATOM 0 HA GLN A 89 -10.770 -0.225 7.753 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -12.148 -1.283 10.244 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -13.015 -0.796 8.801 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -11.409 -2.469 7.569 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -11.122 -3.117 9.172 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -12.817 -4.160 10.318 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -14.281 -4.698 9.489 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.548 1.904 9.973 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.834 3.276 10.378 1.00 1.17 C ATOM 1388 C ASP A 90 -10.521 4.224 9.229 1.00 1.09 C ATOM 1389 O ASP A 90 -11.077 5.319 9.139 1.00 1.33 O ATOM 1390 CB ASP A 90 -10.020 3.661 11.615 1.00 1.18 C ATOM 1391 CG ASP A 90 -8.528 3.624 11.369 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -8.018 2.565 10.940 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -7.860 4.651 11.599 1.00 2.03 O ATOM 0 H ASP A 90 -9.670 1.532 10.335 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.891 3.351 10.632 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -10.306 4.663 11.935 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -10.266 2.983 12.432 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.615 3.793 8.362 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.234 4.576 7.195 1.00 0.79 C ATOM 1400 C VAL A 91 -9.564 3.809 5.917 1.00 0.73 C ATOM 1401 O VAL A 91 -9.837 4.403 4.875 1.00 0.76 O ATOM 1402 CB VAL A 91 -7.734 4.946 7.210 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -7.488 6.129 8.135 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -6.884 3.757 7.631 1.00 0.78 C ATOM 0 H VAL A 91 -9.128 2.901 8.446 1.00 0.83 H new ATOM 0 HA VAL A 91 -9.805 5.504 7.225 1.00 0.79 H new ATOM 0 HB VAL A 91 -7.444 5.228 6.198 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -6.427 6.377 8.134 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -8.062 6.988 7.787 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -7.799 5.870 9.147 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -5.832 4.044 7.633 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.175 3.438 8.632 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.034 2.936 6.930 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.536 2.483 6.002 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.855 1.637 4.861 1.00 0.71 C ATOM 1416 C TYR A 92 -11.368 1.535 4.706 1.00 0.80 C ATOM 1417 O TYR A 92 -12.088 1.376 5.692 1.00 0.98 O ATOM 1418 CB TYR A 92 -9.247 0.239 5.037 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.603 -0.727 3.927 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.201 -0.486 2.622 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -10.344 -1.876 4.182 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.524 -1.355 1.601 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -10.672 -2.753 3.163 1.00 1.02 C ATOM 1424 CZ TYR A 92 -10.258 -2.487 1.874 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.581 -3.352 0.851 1.00 1.14 O ATOM 0 H TYR A 92 -9.295 1.972 6.851 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.430 2.084 3.963 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -8.162 0.329 5.093 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -9.582 -0.175 5.988 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.624 0.400 2.401 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -10.668 -2.087 5.190 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.202 -1.148 0.591 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -11.249 -3.641 3.376 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.432 -2.910 -0.011 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.846 1.627 3.474 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.276 1.544 3.204 1.00 0.84 C ATOM 1437 C LEU A 93 -13.749 0.095 3.240 1.00 1.05 C ATOM 1438 O LEU A 93 -14.104 -0.481 2.215 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.600 2.174 1.846 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.359 3.684 1.753 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -13.630 4.187 0.342 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -14.227 4.424 2.761 1.00 1.42 C ATOM 0 H LEU A 93 -11.266 1.759 2.645 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.803 2.097 3.982 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -13.001 1.679 1.082 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.645 1.974 1.611 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.313 3.879 1.989 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -13.453 5.262 0.298 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -12.966 3.681 -0.359 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -14.666 3.979 0.074 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -14.044 5.496 2.682 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.278 4.220 2.556 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.982 4.088 3.768 1.00 1.42 H new ATOM 1454 N GLY A 94 -13.720 -0.495 4.427 1.00 1.78 N ATOM 1455 CA GLY A 94 -14.153 -1.867 4.588 1.00 2.31 C ATOM 1456 C GLY A 94 -15.516 -1.952 5.241 1.00 3.01 C ATOM 1457 O GLY A 94 -16.266 -2.902 5.019 1.00 3.64 O ATOM 0 H GLY A 94 -13.402 -0.044 5.285 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -14.185 -2.355 3.614 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -13.426 -2.409 5.192 1.00 2.31 H new ATOM 1461 N LEU A 95 -15.836 -0.953 6.049 1.00 3.25 N ATOM 1462 CA LEU A 95 -17.116 -0.910 6.739 1.00 3.98 C ATOM 1463 C LEU A 95 -18.162 -0.243 5.861 1.00 3.60 C ATOM 1464 O LEU A 95 -18.382 0.965 5.941 1.00 3.99 O ATOM 1465 CB LEU A 95 -16.998 -0.177 8.083 1.00 4.97 C ATOM 1466 CG LEU A 95 -15.755 0.702 8.270 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -15.956 2.071 7.635 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -15.433 0.841 9.748 1.00 6.50 C ATOM 0 H LEU A 95 -15.225 -0.159 6.243 1.00 3.25 H new ATOM 0 HA LEU A 95 -17.426 -1.935 6.943 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -17.882 0.448 8.211 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -17.015 -0.920 8.881 1.00 4.97 H new ATOM 0 HG LEU A 95 -14.914 0.221 7.770 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -15.061 2.675 7.781 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -16.144 1.953 6.568 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -16.808 2.566 8.101 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -14.549 1.467 9.870 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -16.277 1.300 10.263 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -15.242 -0.144 10.173 1.00 6.50 H new ATOM 1480 N GLU A 96 -18.787 -1.030 5.007 1.00 3.30 N ATOM 1481 CA GLU A 96 -19.801 -0.505 4.108 1.00 3.30 C ATOM 1482 C GLU A 96 -21.186 -0.549 4.752 1.00 3.83 C ATOM 1483 O GLU A 96 -21.858 0.478 4.845 1.00 4.33 O ATOM 1484 CB GLU A 96 -19.787 -1.257 2.765 1.00 3.38 C ATOM 1485 CG GLU A 96 -19.233 -2.674 2.842 1.00 3.76 C ATOM 1486 CD GLU A 96 -20.107 -3.585 3.669 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -21.189 -3.977 3.193 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -19.695 -3.965 4.778 1.00 5.15 O ATOM 0 H GLU A 96 -18.613 -2.031 4.915 1.00 3.30 H new ATOM 0 HA GLU A 96 -19.564 0.540 3.909 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -20.804 -1.298 2.375 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -19.194 -0.687 2.050 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -19.138 -3.080 1.835 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -18.231 -2.648 3.270 1.00 3.76 H new ATOM 1495 N HIS A 97 -21.602 -1.731 5.210 1.00 4.10 N ATOM 1496 CA HIS A 97 -22.911 -1.899 5.843 1.00 4.81 C ATOM 1497 C HIS A 97 -23.160 -3.344 6.287 1.00 4.91 C ATOM 1498 O HIS A 97 -23.707 -3.572 7.364 1.00 5.78 O ATOM 1499 CB HIS A 97 -24.056 -1.447 4.916 1.00 5.50 C ATOM 1500 CG HIS A 97 -24.135 -2.176 3.604 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -24.937 -3.280 3.400 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -23.511 -1.948 2.426 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -24.798 -3.697 2.156 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -23.939 -2.906 1.544 1.00 5.53 N ATOM 0 H HIS A 97 -21.050 -2.587 5.154 1.00 4.10 H new ATOM 0 HA HIS A 97 -22.898 -1.263 6.728 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -25.002 -1.574 5.443 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -23.943 -0.381 4.716 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -22.806 -1.157 2.218 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -25.303 -4.543 1.714 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -23.641 -2.993 0.572 1.00 5.53 H new ATOM 1513 N HIS A 98 -22.748 -4.324 5.482 1.00 4.24 N ATOM 1514 CA HIS A 98 -22.998 -5.725 5.828 1.00 4.57 C ATOM 1515 C HIS A 98 -21.895 -6.305 6.718 1.00 5.57 C ATOM 1516 O HIS A 98 -22.183 -7.073 7.635 1.00 6.29 O ATOM 1517 CB HIS A 98 -23.229 -6.581 4.562 1.00 4.01 C ATOM 1518 CG HIS A 98 -22.003 -7.169 3.926 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -21.139 -6.454 3.135 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -21.524 -8.429 3.944 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -20.187 -7.244 2.692 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -20.395 -8.453 3.167 1.00 5.02 N ATOM 0 H HIS A 98 -22.250 -4.180 4.604 1.00 4.24 H new ATOM 0 HA HIS A 98 -23.916 -5.755 6.415 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -23.906 -7.396 4.818 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -23.738 -5.965 3.820 1.00 4.01 H new ATOM 0 HD1 HIS A 98 -21.223 -5.460 2.923 1.00 4.75 H new ATOM 0 HD2 HIS A 98 -21.952 -9.267 4.474 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -19.372 -6.950 2.047 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -19.813 -9.271 2.987 1.00 5.02 H new ATOM 1531 N HIS A 99 -20.643 -5.919 6.460 1.00 5.88 N ATOM 1532 CA HIS A 99 -19.489 -6.388 7.242 1.00 7.00 C ATOM 1533 C HIS A 99 -19.314 -7.912 7.162 1.00 7.19 C ATOM 1534 O HIS A 99 -20.067 -8.607 6.480 1.00 6.84 O ATOM 1535 CB HIS A 99 -19.618 -5.978 8.722 1.00 7.91 C ATOM 1536 CG HIS A 99 -20.039 -4.555 8.943 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -21.201 -4.209 9.599 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -19.444 -3.389 8.603 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -21.301 -2.894 9.650 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -20.248 -2.370 9.054 1.00 10.32 N ATOM 0 H HIS A 99 -20.398 -5.276 5.707 1.00 5.88 H new ATOM 0 HA HIS A 99 -18.611 -5.914 6.804 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -20.340 -6.636 9.206 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -18.659 -6.140 9.215 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -18.509 -3.279 8.074 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -22.110 -2.340 10.104 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -20.061 -1.373 8.946 1.00 10.32 H new ATOM 1549 N HIS A 100 -18.304 -8.409 7.874 1.00 7.91 N ATOM 1550 CA HIS A 100 -17.987 -9.839 7.947 1.00 8.32 C ATOM 1551 C HIS A 100 -17.674 -10.448 6.574 1.00 8.49 C ATOM 1552 O HIS A 100 -16.521 -10.434 6.145 1.00 8.85 O ATOM 1553 CB HIS A 100 -19.112 -10.612 8.643 1.00 8.84 C ATOM 1554 CG HIS A 100 -18.671 -11.924 9.216 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -17.992 -12.032 10.411 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -18.814 -13.190 8.756 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -17.737 -13.302 10.658 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -18.225 -14.025 9.669 1.00 10.32 N ATOM 0 H HIS A 100 -17.674 -7.825 8.424 1.00 7.91 H new ATOM 0 HA HIS A 100 -17.079 -9.929 8.544 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -19.525 -9.996 9.442 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -19.916 -10.789 7.929 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -19.302 -13.486 7.839 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -17.217 -13.685 11.523 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -18.173 -15.041 9.596 1.00 10.32 H new ATOM 1567 N HIS A 101 -18.685 -10.975 5.879 1.00 8.41 N ATOM 1568 CA HIS A 101 -18.456 -11.591 4.576 1.00 8.73 C ATOM 1569 C HIS A 101 -19.727 -11.647 3.728 1.00 9.24 C ATOM 1570 O HIS A 101 -19.812 -10.989 2.695 1.00 9.03 O ATOM 1571 CB HIS A 101 -17.886 -13.001 4.744 1.00 8.88 C ATOM 1572 CG HIS A 101 -17.449 -13.620 3.453 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -17.834 -14.879 3.057 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -16.664 -13.137 2.461 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -17.306 -15.146 1.878 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -16.592 -14.106 1.495 1.00 9.49 N ATOM 0 H HIS A 101 -19.655 -10.987 6.193 1.00 8.41 H new ATOM 0 HA HIS A 101 -17.735 -10.964 4.052 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -17.037 -12.963 5.427 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -18.640 -13.637 5.207 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -16.185 -12.170 2.436 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -17.437 -16.062 1.321 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -16.071 -14.034 0.621 1.00 9.49 H new ATOM 1585 N HIS A 102 -20.704 -12.438 4.154 1.00 10.03 N ATOM 1586 CA HIS A 102 -21.949 -12.572 3.405 1.00 10.75 C ATOM 1587 C HIS A 102 -22.875 -11.401 3.696 1.00 11.48 C ATOM 1588 O HIS A 102 -23.273 -10.711 2.742 1.00 11.72 O ATOM 1589 CB HIS A 102 -22.648 -13.896 3.741 1.00 11.25 C ATOM 1590 CG HIS A 102 -23.954 -14.092 3.031 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -25.150 -14.275 3.693 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -24.251 -14.129 1.710 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -26.123 -14.415 2.812 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -25.605 -14.330 1.603 1.00 12.14 N ATOM 1595 OXT HIS A 102 -23.181 -11.169 4.880 1.00 11.93 O ATOM 0 H HIS A 102 -20.660 -12.993 5.008 1.00 10.03 H new ATOM 0 HA HIS A 102 -21.706 -12.571 2.342 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -21.982 -14.721 3.489 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -22.820 -13.942 4.816 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -23.553 -14.021 0.893 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -27.166 -14.572 3.043 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -26.126 -14.402 0.729 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -3.669 -13.672 -0.774 1.00 1.26 N HETATM 1606 C2A ACO A 103 -3.671 -12.346 -0.352 1.00 1.17 C HETATM 1607 N3A ACO A 103 -2.894 -11.989 0.751 1.00 1.07 N HETATM 1608 C4A ACO A 103 -2.156 -12.927 1.373 1.00 1.07 C HETATM 1609 C5A ACO A 103 -2.171 -14.199 0.948 1.00 1.24 C HETATM 1610 C6A ACO A 103 -2.912 -14.558 -0.110 1.00 1.33 C HETATM 1611 N6A ACO A 103 -2.877 -15.843 -0.461 1.00 1.58 N HETATM 1612 N7A ACO A 103 -1.358 -14.902 1.738 1.00 1.38 N HETATM 1613 C8A ACO A 103 -0.849 -14.074 2.649 1.00 1.26 C HETATM 1614 N9A ACO A 103 -1.345 -12.861 2.425 1.00 1.07 N HETATM 1615 C1B ACO A 103 -1.054 -11.643 3.220 1.00 1.03 C HETATM 1616 C2B ACO A 103 -1.172 -11.896 4.718 1.00 1.11 C HETATM 1617 O2B ACO A 103 -2.364 -11.271 5.232 1.00 1.48 O HETATM 1618 C3B ACO A 103 0.057 -11.242 5.310 1.00 1.01 C HETATM 1619 O3B ACO A 103 -0.313 -10.382 6.395 1.00 1.23 O HETATM 1620 P3B ACO A 103 0.236 -10.666 7.879 1.00 1.16 P HETATM 1621 O7A ACO A 103 1.705 -11.310 7.695 1.00 1.71 O HETATM 1622 O8A ACO A 103 -0.691 -11.801 8.532 1.00 1.81 O HETATM 1623 O9A ACO A 103 0.269 -9.441 8.700 1.00 2.04 O HETATM 1624 C4B ACO A 103 0.611 -10.431 4.166 1.00 1.04 C HETATM 1625 O4B ACO A 103 0.308 -11.214 3.005 1.00 1.04 O HETATM 1626 C5B ACO A 103 2.113 -10.227 4.328 1.00 1.18 C HETATM 1627 O5B ACO A 103 2.823 -11.282 3.672 1.00 1.28 O HETATM 1628 P1A ACO A 103 4.435 -11.271 3.626 1.00 1.52 P HETATM 1629 O1A ACO A 103 4.948 -10.089 4.357 1.00 2.30 O HETATM 1630 O2A ACO A 103 4.959 -12.602 4.030 1.00 2.20 O HETATM 1631 O3A ACO A 103 4.757 -11.092 2.062 1.00 1.44 O HETATM 1632 P2A ACO A 103 6.117 -10.372 1.596 1.00 1.59 P HETATM 1633 O4A ACO A 103 7.280 -11.026 2.250 1.00 2.35 O HETATM 1634 O5A ACO A 103 5.985 -8.905 1.752 1.00 2.24 O HETATM 1635 O6A ACO A 103 6.206 -10.718 0.023 1.00 1.29 O HETATM 1636 CBP ACO A 103 4.984 -9.995 -1.952 1.00 0.94 C HETATM 1637 CCP ACO A 103 5.018 -10.942 -0.746 1.00 1.05 C HETATM 1638 CDP ACO A 103 3.756 -10.316 -2.814 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.896 -8.541 -1.460 1.00 0.88 C HETATM 1640 CAP ACO A 103 6.262 -10.188 -2.785 1.00 0.97 C HETATM 1641 OAP ACO A 103 6.396 -11.570 -3.134 1.00 1.11 O HETATM 1642 C9P ACO A 103 6.194 -9.344 -4.065 1.00 0.94 C HETATM 1643 O9P ACO A 103 5.392 -8.414 -4.173 1.00 0.99 O HETATM 1644 N8P ACO A 103 7.060 -9.696 -5.027 1.00 1.53 N HETATM 1645 C7P ACO A 103 7.281 -8.858 -6.214 1.00 1.93 C HETATM 1646 C6P ACO A 103 6.107 -9.021 -7.184 1.00 2.42 C HETATM 1647 C5P ACO A 103 5.225 -7.766 -7.157 1.00 2.41 C HETATM 1648 O5P ACO A 103 5.520 -6.769 -7.819 1.00 3.30 O HETATM 1649 N4P ACO A 103 4.137 -7.845 -6.375 1.00 1.79 N HETATM 1650 C3P ACO A 103 3.177 -8.954 -6.472 1.00 2.18 C HETATM 1651 C2P ACO A 103 1.763 -8.401 -6.658 1.00 2.07 C HETATM 1652 S1P ACO A 103 1.537 -7.674 -8.322 1.00 2.13 S HETATM 1653 C ACO A 103 0.860 -6.090 -7.875 1.00 1.95 C HETATM 1654 O ACO A 103 1.651 -5.158 -7.136 1.00 1.49 O HETATM 1655 CH3 ACO A 103 -0.570 -5.727 -8.283 1.00 3.07 C HETATM 0 HO2A ACO A 103 -2.121 -10.465 5.733 1.00 1.48 H new HETATM 0 HH33 ACO A 103 -0.656 -5.753 -9.369 1.00 3.07 H new HETATM 0 HH32 ACO A 103 -1.266 -6.443 -7.846 1.00 3.07 H new HETATM 0 HH31 ACO A 103 -0.808 -4.726 -7.924 1.00 3.07 H new HETATM 0 H62A ACO A 103 -2.293 -16.498 0.059 1.00 1.58 H new HETATM 0 H61A ACO A 103 -3.434 -16.171 -1.250 1.00 1.58 H new HETATM 0 H52A ACO A 103 2.405 -9.265 3.908 1.00 1.18 H new HETATM 0 H51A ACO A 103 2.373 -10.205 5.386 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.989 -8.411 -0.870 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.765 -8.312 -0.843 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.872 -7.868 -2.317 1.00 0.88 H new HETATM 0 H133 ACO A 103 3.815 -11.347 -3.162 1.00 1.01 H new HETATM 0 H132 ACO A 103 2.851 -10.184 -2.221 1.00 1.01 H new HETATM 0 H131 ACO A 103 3.728 -9.645 -3.672 1.00 1.01 H new HETATM 0 H122 ACO A 103 4.985 -11.977 -1.086 1.00 1.05 H new HETATM 0 H121 ACO A 103 4.137 -10.783 -0.124 1.00 1.05 H new HETATM 0 HO1 ACO A 103 7.327 -11.758 -3.375 1.00 1.11 H new HETATM 0 HN8 ACO A 103 7.579 -10.569 -4.932 1.00 1.53 H new HETATM 0 HN4 ACO A 103 3.970 -7.109 -5.689 1.00 1.79 H new HETATM 0 H8A ACO A 103 -0.149 -14.344 3.439 1.00 1.26 H new HETATM 0 H72 ACO A 103 7.381 -7.813 -5.920 1.00 1.93 H new HETATM 0 H71 ACO A 103 8.213 -9.142 -6.704 1.00 1.93 H new HETATM 0 H62 ACO A 103 6.480 -9.191 -8.194 1.00 2.42 H new HETATM 0 H61 ACO A 103 5.517 -9.896 -6.910 1.00 2.42 H new HETATM 0 H4B ACO A 103 0.183 -9.430 4.108 1.00 1.04 H new HETATM 0 H3B ACO A 103 0.773 -11.960 5.710 1.00 1.01 H new HETATM 0 H32 ACO A 103 3.438 -9.600 -7.310 1.00 2.18 H new HETATM 0 H31 ACO A 103 3.222 -9.566 -5.571 1.00 2.18 H new HETATM 0 H2B ACO A 103 -1.236 -12.957 4.960 1.00 1.11 H new HETATM 0 H2A ACO A 103 -4.269 -11.599 -0.874 1.00 1.17 H new HETATM 0 H22 ACO A 103 1.037 -9.200 -6.508 1.00 2.07 H new HETATM 0 H21 ACO A 103 1.565 -7.644 -5.900 1.00 2.07 H new HETATM 0 H1B ACO A 103 -1.779 -10.896 2.897 1.00 1.03 H new HETATM 0 H10 ACO A 103 7.122 -9.869 -2.196 1.00 0.97 H new