USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 139 GLN : amide:sc= -0.885 X(o=-0.89,f=-0.57) USER MOD Set 2.1: A 111 MET CE :methyl -150:sc= -8.81! (180deg=-11!) USER MOD Set 2.2: A 114 HIS : no HD1:sc= -12! C(o=-21!,f=-21!) USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0.361 USER MOD Set 3.2: A 66 ASN : amide:sc= -2.75! C(o=-2.4!,f=-3.7!) USER MOD Set 4.1: A 51 SER OG : rot -27:sc= 0.536 USER MOD Set 4.2: A 52 HIS : no HE2:sc= -10.4! C(o=-9.9!,f=-12!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.7) USER MOD Single : A 12 THR OG1 : rot -100:sc= -0.875 USER MOD Single : A 14 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.5) USER MOD Single : A 20 THR OG1 : rot 27:sc= -0.378 USER MOD Single : A 23 GLN : amide:sc= -1.83 K(o=-1.8,f=-8.3!) USER MOD Single : A 26 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.31) USER MOD Single : A 29 THR OG1 : rot -140:sc= -0.977 USER MOD Single : A 33 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.05) USER MOD Single : A 37 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.3) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0714 USER MOD Single : A 55 ASN : amide:sc= -6.51! C(o=-6.5!,f=-22!) USER MOD Single : A 57 THR OG1 : rot 62:sc= -0.231 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 164:sc= -2.36 USER MOD Single : A 74 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 89 CYS SG : rot -19:sc= -0.237 USER MOD Single : A 91 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 157:sc= -4.04! (180deg=-6.73!) USER MOD Single : A 107 HIS : no HE2:sc= -5.12! C(o=-5.1!,f=-6.3!) USER MOD Single : A 110 HIS : no HD1:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 116 SER OG : rot -113:sc= 0.743 USER MOD Single : A 118 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.55) USER MOD Single : A 122 TYR OH : rot 180:sc= -1.83! USER MOD Single : A 124 HIS : no HD1:sc= -2.36 X(o=-2.4,f=-2.2) USER MOD Single : A 133 MET CE :methyl 174:sc= -7.76 (180deg=-7.97!) USER MOD Single : A 138 THR OG1 : rot 97:sc= 1.09 USER MOD Single : A 141 MET CE :methyl -151:sc= -7.48! (180deg=-8.43!) USER MOD Single : A 142 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 4.897 6.639 -15.428 1.00 1.94 N ATOM 2 CA SER A 3 5.068 7.030 -14.003 1.00 1.63 C ATOM 3 C SER A 3 4.556 5.942 -13.065 1.00 1.31 C ATOM 4 O SER A 3 4.236 4.831 -13.494 1.00 1.66 O ATOM 5 CB SER A 3 4.305 8.336 -13.766 1.00 1.81 C ATOM 6 OG SER A 3 5.190 9.442 -13.719 1.00 2.13 O ATOM 0 HA SER A 3 6.129 7.168 -13.793 1.00 1.63 H new ATOM 0 HB2 SER A 3 3.575 8.484 -14.562 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.749 8.271 -12.831 1.00 1.81 H new ATOM 0 HG SER A 3 4.678 10.264 -13.568 1.00 2.13 H new ATOM 12 N VAL A 4 4.479 6.264 -11.779 1.00 1.30 N ATOM 13 CA VAL A 4 4.004 5.309 -10.789 1.00 1.06 C ATOM 14 C VAL A 4 2.484 5.203 -10.820 1.00 0.93 C ATOM 15 O VAL A 4 1.776 6.127 -10.419 1.00 1.44 O ATOM 16 CB VAL A 4 4.467 5.685 -9.368 1.00 1.68 C ATOM 17 CG1 VAL A 4 3.888 7.027 -8.942 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.092 4.591 -8.379 1.00 2.29 C ATOM 0 H VAL A 4 4.738 7.175 -11.400 1.00 1.30 H new ATOM 0 HA VAL A 4 4.435 4.342 -11.047 1.00 1.06 H new ATOM 0 HB VAL A 4 5.553 5.780 -9.377 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.231 7.268 -7.936 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.219 7.802 -9.633 1.00 1.82 H new ATOM 0 HG13 VAL A 4 2.799 6.973 -8.951 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.426 4.873 -7.381 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.010 4.459 -8.375 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.571 3.656 -8.672 1.00 2.29 H new ATOM 22 N LEU A 5 1.989 4.070 -11.306 1.00 0.94 N ATOM 23 CA LEU A 5 0.555 3.839 -11.399 1.00 1.34 C ATOM 24 C LEU A 5 0.021 3.180 -10.131 1.00 1.09 C ATOM 25 O LEU A 5 -0.130 1.960 -10.064 1.00 1.34 O ATOM 26 CB LEU A 5 0.236 2.973 -12.620 1.00 2.05 C ATOM 27 CG LEU A 5 -0.917 3.481 -13.487 1.00 2.97 C ATOM 28 CD1 LEU A 5 -1.025 2.661 -14.763 1.00 3.92 C ATOM 29 CD2 LEU A 5 -2.225 3.438 -12.711 1.00 3.33 C ATOM 0 H LEU A 5 2.563 3.296 -11.642 1.00 0.94 H new ATOM 0 HA LEU A 5 0.063 4.805 -11.511 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.131 2.899 -13.238 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.001 1.965 -12.280 1.00 2.05 H new ATOM 0 HG LEU A 5 -0.714 4.516 -13.761 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.851 3.036 -15.368 1.00 3.92 H new ATOM 0 HD12 LEU A 5 -0.096 2.742 -15.327 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -1.206 1.616 -14.510 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -3.035 3.803 -13.343 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -2.435 2.412 -12.408 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.144 4.068 -11.825 1.00 3.33 H new ATOM 35 N VAL A 6 -0.273 3.995 -9.128 1.00 0.88 N ATOM 36 CA VAL A 6 -0.800 3.486 -7.872 1.00 0.75 C ATOM 37 C VAL A 6 -2.307 3.692 -7.808 1.00 0.75 C ATOM 38 O VAL A 6 -2.866 4.456 -8.596 1.00 1.03 O ATOM 39 CB VAL A 6 -0.125 4.159 -6.659 1.00 0.94 C ATOM 40 CG1 VAL A 6 1.386 4.158 -6.828 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.639 5.580 -6.463 1.00 1.02 C ATOM 0 H VAL A 6 -0.156 5.008 -9.160 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.580 2.419 -7.831 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.379 3.585 -5.768 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.849 4.636 -5.965 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.742 3.131 -6.909 1.00 1.26 H new ATOM 0 HG13 VAL A 6 1.651 4.706 -7.732 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.146 6.030 -5.601 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.424 6.171 -7.353 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.716 5.557 -6.294 1.00 1.02 H new ATOM 45 N ASP A 7 -2.970 3.009 -6.882 1.00 0.72 N ATOM 46 CA ASP A 7 -4.417 3.142 -6.762 1.00 0.83 C ATOM 47 C ASP A 7 -4.919 2.748 -5.377 1.00 0.75 C ATOM 48 O ASP A 7 -4.944 1.568 -5.026 1.00 0.99 O ATOM 49 CB ASP A 7 -5.110 2.289 -7.827 1.00 1.02 C ATOM 50 CG ASP A 7 -6.117 3.081 -8.639 1.00 1.78 C ATOM 51 OD1 ASP A 7 -7.071 3.619 -8.038 1.00 2.33 O ATOM 52 OD2 ASP A 7 -5.950 3.165 -9.873 1.00 2.52 O ATOM 0 H ASP A 7 -2.539 2.369 -6.215 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.661 4.194 -6.913 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.359 1.868 -8.496 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.614 1.451 -7.346 1.00 1.02 H new ATOM 57 N LEU A 8 -5.349 3.742 -4.607 1.00 0.63 N ATOM 58 CA LEU A 8 -5.887 3.498 -3.274 1.00 0.74 C ATOM 59 C LEU A 8 -7.394 3.715 -3.287 1.00 0.59 C ATOM 60 O LEU A 8 -7.875 4.714 -3.821 1.00 0.79 O ATOM 61 CB LEU A 8 -5.214 4.404 -2.235 1.00 1.20 C ATOM 62 CG LEU A 8 -5.766 5.829 -2.129 1.00 0.83 C ATOM 63 CD1 LEU A 8 -7.036 5.856 -1.290 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.716 6.752 -1.536 1.00 1.52 C ATOM 0 H LEU A 8 -5.335 4.724 -4.883 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.678 2.466 -2.993 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.300 3.929 -1.258 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.151 4.464 -2.468 1.00 1.20 H new ATOM 0 HG LEU A 8 -6.016 6.179 -3.131 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -7.410 6.878 -1.229 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.791 5.221 -1.753 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.818 5.489 -0.287 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -5.118 7.763 -1.465 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.442 6.400 -0.542 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.833 6.757 -2.175 1.00 1.52 H new ATOM 70 N GLN A 9 -8.143 2.773 -2.722 1.00 0.65 N ATOM 71 CA GLN A 9 -9.599 2.894 -2.713 1.00 0.80 C ATOM 72 C GLN A 9 -10.209 2.587 -1.348 1.00 0.79 C ATOM 73 O GLN A 9 -9.858 1.595 -0.701 1.00 0.81 O ATOM 74 CB GLN A 9 -10.216 1.979 -3.774 1.00 1.03 C ATOM 75 CG GLN A 9 -9.600 0.591 -3.823 1.00 1.27 C ATOM 76 CD GLN A 9 -9.693 -0.038 -5.199 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.730 -0.586 -5.575 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.607 0.040 -5.960 1.00 2.59 N ATOM 0 H GLN A 9 -7.777 1.934 -2.273 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.828 3.935 -2.943 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.285 1.885 -3.582 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -10.108 2.448 -4.752 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.553 0.651 -3.525 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.102 -0.051 -3.099 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.770 0.504 -5.608 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -8.611 -0.364 -6.897 1.00 2.59 H new ATOM 85 N ILE A 10 -11.142 3.448 -0.937 1.00 0.83 N ATOM 86 CA ILE A 10 -11.845 3.301 0.331 1.00 0.86 C ATOM 87 C ILE A 10 -13.080 2.420 0.162 1.00 1.02 C ATOM 88 O ILE A 10 -13.673 2.371 -0.915 1.00 1.23 O ATOM 89 CB ILE A 10 -12.269 4.678 0.894 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.770 4.541 2.335 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.339 5.310 0.015 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.659 4.368 3.349 1.00 1.19 C ATOM 0 H ILE A 10 -11.429 4.265 -1.476 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.160 2.829 1.035 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.396 5.330 0.895 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -13.352 5.425 2.594 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -13.444 3.686 2.397 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.624 6.278 0.428 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -12.948 5.446 -0.993 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.213 4.659 -0.020 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.088 4.277 4.347 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.090 3.468 3.116 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -10.998 5.234 3.316 1.00 1.19 H new ATOM 96 N ALA A 11 -13.458 1.724 1.226 1.00 0.97 N ATOM 97 CA ALA A 11 -14.618 0.843 1.185 1.00 1.15 C ATOM 98 C ALA A 11 -15.588 1.155 2.318 1.00 1.15 C ATOM 99 O ALA A 11 -16.184 0.252 2.908 1.00 1.32 O ATOM 100 CB ALA A 11 -14.169 -0.607 1.258 1.00 1.30 C ATOM 0 H ALA A 11 -12.980 1.752 2.126 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.141 1.009 0.243 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -15.041 -1.260 1.227 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.519 -0.830 0.412 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.625 -0.773 2.188 1.00 1.30 H new ATOM 106 N THR A 12 -15.743 2.439 2.620 1.00 1.10 N ATOM 107 CA THR A 12 -16.641 2.872 3.683 1.00 1.29 C ATOM 108 C THR A 12 -17.588 3.960 3.189 1.00 1.72 C ATOM 109 O THR A 12 -17.154 5.039 2.788 1.00 2.07 O ATOM 110 CB THR A 12 -15.835 3.380 4.880 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.546 3.803 4.471 1.00 1.78 O ATOM 112 CG2 THR A 12 -15.655 2.340 5.965 1.00 1.29 C ATOM 0 H THR A 12 -15.258 3.199 2.143 1.00 1.10 H new ATOM 0 HA THR A 12 -17.239 2.015 3.993 1.00 1.29 H new ATOM 0 HB THR A 12 -16.413 4.210 5.288 1.00 1.15 H new ATOM 0 HG1 THR A 12 -13.893 3.100 4.671 1.00 1.78 H new ATOM 0 HG21 THR A 12 -15.075 2.765 6.784 1.00 1.29 H new ATOM 0 HG22 THR A 12 -16.631 2.028 6.336 1.00 1.29 H new ATOM 0 HG23 THR A 12 -15.129 1.477 5.558 1.00 1.29 H new ATOM 117 N GLU A 13 -18.884 3.669 3.223 1.00 2.10 N ATOM 118 CA GLU A 13 -19.892 4.625 2.780 1.00 2.62 C ATOM 119 C GLU A 13 -19.961 5.821 3.727 1.00 2.49 C ATOM 120 O GLU A 13 -20.327 6.924 3.322 1.00 2.85 O ATOM 121 CB GLU A 13 -21.262 3.948 2.689 1.00 3.24 C ATOM 122 CG GLU A 13 -21.705 3.661 1.263 1.00 3.89 C ATOM 123 CD GLU A 13 -22.537 2.398 1.155 1.00 4.72 C ATOM 124 OE1 GLU A 13 -23.709 2.420 1.586 1.00 5.27 O ATOM 125 OE2 GLU A 13 -22.017 1.386 0.640 1.00 5.17 O ATOM 0 H GLU A 13 -19.261 2.780 3.552 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.607 4.985 1.791 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -21.233 3.012 3.247 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -22.005 4.584 3.171 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -22.283 4.506 0.889 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -20.826 3.569 0.625 1.00 3.89 H new ATOM 132 N ASN A 14 -19.606 5.594 4.989 1.00 2.26 N ATOM 133 CA ASN A 14 -19.630 6.654 5.989 1.00 2.51 C ATOM 134 C ASN A 14 -18.430 6.549 6.926 1.00 1.99 C ATOM 135 O ASN A 14 -18.286 5.570 7.659 1.00 1.78 O ATOM 136 CB ASN A 14 -20.927 6.592 6.797 1.00 3.10 C ATOM 137 CG ASN A 14 -22.160 6.651 5.917 1.00 3.79 C ATOM 138 OD1 ASN A 14 -22.780 7.704 5.768 1.00 4.30 O ATOM 139 ND2 ASN A 14 -22.521 5.517 5.328 1.00 4.18 N ATOM 0 H ASN A 14 -19.299 4.687 5.341 1.00 2.26 H new ATOM 0 HA ASN A 14 -19.578 7.610 5.468 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -20.944 5.672 7.381 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -20.950 7.420 7.506 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -23.342 5.495 4.723 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -21.977 4.668 5.480 1.00 4.18 H new ATOM 144 N ILE A 15 -17.574 7.565 6.898 1.00 2.45 N ATOM 145 CA ILE A 15 -16.388 7.591 7.747 1.00 2.24 C ATOM 146 C ILE A 15 -16.042 9.020 8.158 1.00 1.60 C ATOM 147 O ILE A 15 -16.754 9.963 7.815 1.00 1.92 O ATOM 148 CB ILE A 15 -15.162 6.951 7.053 1.00 3.00 C ATOM 149 CG1 ILE A 15 -15.300 7.000 5.527 1.00 2.89 C ATOM 150 CG2 ILE A 15 -14.985 5.515 7.520 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.542 8.390 4.977 1.00 3.61 C ATOM 0 H ILE A 15 -17.679 8.382 6.296 1.00 2.45 H new ATOM 0 HA ILE A 15 -16.628 7.004 8.633 1.00 2.24 H new ATOM 0 HB ILE A 15 -14.279 7.526 7.330 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -14.394 6.595 5.077 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -16.123 6.352 5.225 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -14.119 5.075 7.025 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -14.832 5.500 8.599 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -15.876 4.939 7.271 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.629 8.342 3.892 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -16.464 8.792 5.397 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -14.708 9.038 5.246 1.00 3.61 H new ATOM 155 N GLU A 16 -14.945 9.171 8.893 1.00 1.45 N ATOM 156 CA GLU A 16 -14.508 10.487 9.348 1.00 1.67 C ATOM 157 C GLU A 16 -14.110 11.366 8.166 1.00 1.94 C ATOM 158 O GLU A 16 -14.238 12.589 8.219 1.00 2.67 O ATOM 159 CB GLU A 16 -13.336 10.350 10.322 1.00 2.11 C ATOM 160 CG GLU A 16 -13.570 11.043 11.655 1.00 3.11 C ATOM 161 CD GLU A 16 -12.467 12.022 12.007 1.00 3.84 C ATOM 162 OE1 GLU A 16 -11.305 11.768 11.627 1.00 4.53 O ATOM 163 OE2 GLU A 16 -12.765 13.042 12.664 1.00 4.13 O ATOM 0 H GLU A 16 -14.344 8.401 9.186 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.342 10.963 9.864 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.144 9.292 10.500 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -12.440 10.763 9.859 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -14.523 11.572 11.623 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -13.648 10.292 12.441 1.00 3.11 H new ATOM 170 N GLY A 17 -13.626 10.734 7.101 1.00 1.95 N ATOM 171 CA GLY A 17 -13.217 11.476 5.922 1.00 2.86 C ATOM 172 C GLY A 17 -12.819 10.567 4.776 1.00 2.74 C ATOM 173 O GLY A 17 -11.925 9.733 4.920 1.00 3.16 O ATOM 0 H GLY A 17 -13.510 9.723 7.033 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -14.034 12.123 5.602 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -12.378 12.124 6.177 1.00 2.86 H new ATOM 177 N LEU A 18 -13.482 10.729 3.635 1.00 2.64 N ATOM 178 CA LEU A 18 -13.192 9.917 2.458 1.00 2.63 C ATOM 179 C LEU A 18 -11.736 10.085 2.026 1.00 2.01 C ATOM 180 O LEU A 18 -11.356 11.133 1.505 1.00 2.22 O ATOM 181 CB LEU A 18 -14.119 10.302 1.302 1.00 3.46 C ATOM 182 CG LEU A 18 -15.525 9.700 1.361 1.00 3.97 C ATOM 183 CD1 LEU A 18 -15.454 8.191 1.540 1.00 4.46 C ATOM 184 CD2 LEU A 18 -16.333 10.335 2.483 1.00 4.91 C ATOM 0 H LEU A 18 -14.224 11.416 3.500 1.00 2.64 H new ATOM 0 HA LEU A 18 -13.361 8.873 2.721 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -14.208 11.388 1.276 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.651 9.998 0.366 1.00 3.46 H new ATOM 0 HG LEU A 18 -16.027 9.910 0.417 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -16.463 7.781 1.580 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -14.916 7.750 0.701 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -14.932 7.959 2.468 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -17.329 9.894 2.509 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -15.834 10.159 3.436 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -16.416 11.408 2.310 1.00 4.91 H new ATOM 190 N PRO A 19 -10.897 9.053 2.232 1.00 1.58 N ATOM 191 CA PRO A 19 -9.480 9.105 1.855 1.00 1.46 C ATOM 192 C PRO A 19 -9.290 9.358 0.363 1.00 1.48 C ATOM 193 O PRO A 19 -9.427 8.447 -0.453 1.00 2.32 O ATOM 194 CB PRO A 19 -8.953 7.715 2.233 1.00 1.63 C ATOM 195 CG PRO A 19 -9.919 7.203 3.243 1.00 1.84 C ATOM 196 CD PRO A 19 -11.253 7.761 2.845 1.00 1.84 C ATOM 0 HA PRO A 19 -8.957 9.921 2.354 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -8.906 7.060 1.363 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.945 7.772 2.644 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -9.937 6.113 3.251 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.643 7.525 4.247 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.771 7.109 2.142 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.911 7.889 3.705 1.00 1.84 H new ATOM 204 N THR A 20 -8.974 10.601 0.012 1.00 1.19 N ATOM 205 CA THR A 20 -8.769 10.974 -1.383 1.00 1.25 C ATOM 206 C THR A 20 -7.437 10.440 -1.899 1.00 1.21 C ATOM 207 O THR A 20 -6.392 10.642 -1.280 1.00 1.19 O ATOM 208 CB THR A 20 -8.816 12.494 -1.538 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.834 13.113 -0.725 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.158 13.092 -1.170 1.00 2.03 C ATOM 0 H THR A 20 -8.854 11.367 0.675 1.00 1.19 H new ATOM 0 HA THR A 20 -9.571 10.530 -1.973 1.00 1.25 H new ATOM 0 HB THR A 20 -8.629 12.681 -2.595 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.086 12.495 -0.588 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.123 14.173 -1.302 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.932 12.672 -1.813 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.386 12.861 -0.129 1.00 2.03 H new ATOM 215 N GLU A 21 -7.482 9.756 -3.037 1.00 1.30 N ATOM 216 CA GLU A 21 -6.279 9.191 -3.639 1.00 1.28 C ATOM 217 C GLU A 21 -5.341 10.289 -4.127 1.00 1.19 C ATOM 218 O GLU A 21 -4.137 10.232 -3.893 1.00 1.10 O ATOM 219 CB GLU A 21 -6.647 8.261 -4.800 1.00 1.44 C ATOM 220 CG GLU A 21 -7.671 8.848 -5.759 1.00 1.56 C ATOM 221 CD GLU A 21 -8.874 7.946 -5.955 1.00 1.94 C ATOM 222 OE1 GLU A 21 -8.685 6.792 -6.394 1.00 2.04 O ATOM 223 OE2 GLU A 21 -10.004 8.392 -5.667 1.00 2.54 O ATOM 0 H GLU A 21 -8.339 9.579 -3.562 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.761 8.614 -2.873 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.742 8.015 -5.356 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -7.037 7.327 -4.395 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.004 9.814 -5.381 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.197 9.029 -6.724 1.00 1.56 H new ATOM 230 N GLU A 22 -5.895 11.290 -4.805 1.00 1.24 N ATOM 231 CA GLU A 22 -5.094 12.396 -5.324 1.00 1.18 C ATOM 232 C GLU A 22 -4.127 12.923 -4.265 1.00 1.05 C ATOM 233 O GLU A 22 -2.918 12.987 -4.491 1.00 0.99 O ATOM 234 CB GLU A 22 -6.004 13.526 -5.809 1.00 1.26 C ATOM 235 CG GLU A 22 -6.308 13.466 -7.297 1.00 1.93 C ATOM 236 CD GLU A 22 -6.836 14.781 -7.838 1.00 2.47 C ATOM 237 OE1 GLU A 22 -6.013 15.651 -8.191 1.00 3.23 O ATOM 238 OE2 GLU A 22 -8.073 14.940 -7.908 1.00 2.76 O ATOM 0 H GLU A 22 -6.892 11.359 -5.008 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.508 12.021 -6.163 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.941 13.490 -5.253 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.534 14.483 -5.581 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.402 13.192 -7.838 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -7.040 12.681 -7.483 1.00 1.93 H new ATOM 245 N GLN A 23 -4.668 13.287 -3.107 1.00 1.02 N ATOM 246 CA GLN A 23 -3.854 13.800 -2.013 1.00 0.93 C ATOM 247 C GLN A 23 -2.830 12.761 -1.570 1.00 0.82 C ATOM 248 O GLN A 23 -1.628 12.944 -1.753 1.00 0.77 O ATOM 249 CB GLN A 23 -4.743 14.200 -0.833 1.00 0.99 C ATOM 250 CG GLN A 23 -4.488 15.613 -0.333 1.00 0.97 C ATOM 251 CD GLN A 23 -3.058 15.822 0.123 1.00 1.14 C ATOM 252 OE1 GLN A 23 -2.120 15.294 -0.474 1.00 2.08 O ATOM 253 NE2 GLN A 23 -2.884 16.595 1.189 1.00 1.09 N ATOM 0 H GLN A 23 -5.666 13.236 -2.903 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.320 14.682 -2.368 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.788 14.111 -1.129 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.583 13.499 -0.014 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.719 16.323 -1.127 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.164 15.829 0.494 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.691 17.013 1.653 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -1.944 16.771 1.543 1.00 1.09 H new ATOM 260 N ILE A 24 -3.318 11.666 -0.994 1.00 0.83 N ATOM 261 CA ILE A 24 -2.449 10.586 -0.528 1.00 0.74 C ATOM 262 C ILE A 24 -1.446 10.186 -1.605 1.00 0.69 C ATOM 263 O ILE A 24 -0.235 10.358 -1.447 1.00 0.67 O ATOM 264 CB ILE A 24 -3.266 9.335 -0.137 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.396 9.701 0.830 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.357 8.279 0.477 1.00 0.85 C ATOM 267 CD1 ILE A 24 -3.914 10.099 2.205 1.00 1.43 C ATOM 0 H ILE A 24 -4.312 11.502 -0.838 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.921 10.965 0.347 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.715 8.924 -1.041 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.974 10.522 0.406 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -5.072 8.851 0.924 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.947 7.403 0.747 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.593 7.992 -0.245 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.879 8.684 1.369 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -4.770 10.344 2.834 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -3.362 9.272 2.650 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.262 10.969 2.124 1.00 1.43 H new ATOM 271 N VAL A 25 -1.971 9.646 -2.700 1.00 0.77 N ATOM 272 CA VAL A 25 -1.152 9.205 -3.822 1.00 0.77 C ATOM 273 C VAL A 25 -0.117 10.257 -4.211 1.00 0.74 C ATOM 274 O VAL A 25 1.083 9.994 -4.174 1.00 0.73 O ATOM 275 CB VAL A 25 -2.028 8.871 -5.048 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.172 8.514 -6.252 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.992 7.738 -4.720 1.00 1.45 C ATOM 0 H VAL A 25 -2.972 9.502 -2.834 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.628 8.306 -3.498 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.608 9.759 -5.301 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.816 8.283 -7.101 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.528 9.357 -6.503 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.557 7.645 -6.017 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.602 7.515 -5.595 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.427 6.850 -4.436 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.637 8.037 -3.894 1.00 1.45 H new ATOM 281 N GLN A 26 -0.584 11.441 -4.594 1.00 0.76 N ATOM 282 CA GLN A 26 0.316 12.515 -4.999 1.00 0.77 C ATOM 283 C GLN A 26 1.317 12.851 -3.897 1.00 0.72 C ATOM 284 O GLN A 26 2.524 12.879 -4.129 1.00 0.71 O ATOM 285 CB GLN A 26 -0.481 13.765 -5.377 1.00 0.85 C ATOM 286 CG GLN A 26 0.374 14.877 -5.964 1.00 0.94 C ATOM 287 CD GLN A 26 0.116 16.221 -5.311 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.020 16.551 -4.973 1.00 1.72 O ATOM 289 NE2 GLN A 26 1.174 17.004 -5.130 1.00 2.19 N ATOM 0 H GLN A 26 -1.575 11.680 -4.632 1.00 0.76 H new ATOM 0 HA GLN A 26 0.873 12.167 -5.869 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.251 13.491 -6.098 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.993 14.141 -4.491 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.427 14.619 -5.850 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.178 14.954 -7.034 1.00 0.94 H new ATOM 0 HE21 GLN A 26 2.098 16.689 -5.426 1.00 2.19 H new ATOM 0 HE22 GLN A 26 1.062 17.920 -4.695 1.00 2.19 H new ATOM 296 N TRP A 27 0.818 13.115 -2.697 1.00 0.74 N ATOM 297 CA TRP A 27 1.687 13.458 -1.578 1.00 0.76 C ATOM 298 C TRP A 27 2.809 12.428 -1.416 1.00 0.69 C ATOM 299 O TRP A 27 3.990 12.758 -1.538 1.00 0.67 O ATOM 300 CB TRP A 27 0.856 13.564 -0.289 1.00 0.92 C ATOM 301 CG TRP A 27 1.605 13.222 0.968 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.559 12.040 1.649 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.502 14.070 1.695 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.374 12.099 2.752 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.963 13.334 2.803 1.00 0.81 C ATOM 306 CE3 TRP A 27 2.961 15.378 1.517 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.860 13.863 3.728 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.852 15.902 2.436 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.293 15.145 3.528 1.00 0.87 C ATOM 0 H TRP A 27 -0.177 13.099 -2.473 1.00 0.74 H new ATOM 0 HA TRP A 27 2.152 14.423 -1.781 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.472 14.580 -0.202 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.007 12.903 -0.373 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.968 11.183 1.362 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.517 11.345 3.424 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.626 15.969 0.677 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.201 13.282 4.572 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.213 16.912 2.309 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.990 15.583 4.227 1.00 0.87 H new ATOM 320 N ALA A 28 2.436 11.184 -1.146 1.00 0.70 N ATOM 321 CA ALA A 28 3.421 10.125 -0.961 1.00 0.72 C ATOM 322 C ALA A 28 3.931 9.578 -2.291 1.00 0.68 C ATOM 323 O ALA A 28 5.046 9.884 -2.715 1.00 0.73 O ATOM 324 CB ALA A 28 2.830 9.004 -0.118 1.00 0.78 C ATOM 0 H ALA A 28 1.466 10.884 -1.051 1.00 0.70 H new ATOM 0 HA ALA A 28 4.276 10.557 -0.440 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.573 8.218 0.015 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.539 9.396 0.856 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.954 8.594 -0.620 1.00 0.78 H new ATOM 330 N THR A 29 3.117 8.748 -2.930 1.00 0.63 N ATOM 331 CA THR A 29 3.495 8.135 -4.199 1.00 0.67 C ATOM 332 C THR A 29 3.801 9.168 -5.284 1.00 0.64 C ATOM 333 O THR A 29 4.431 8.843 -6.292 1.00 0.72 O ATOM 334 CB THR A 29 2.407 7.175 -4.674 1.00 0.69 C ATOM 335 OG1 THR A 29 1.278 7.221 -3.819 1.00 1.02 O ATOM 336 CG2 THR A 29 2.885 5.743 -4.731 1.00 0.74 C ATOM 0 H THR A 29 2.192 8.483 -2.592 1.00 0.63 H new ATOM 0 HA THR A 29 4.415 7.578 -4.019 1.00 0.67 H new ATOM 0 HB THR A 29 2.141 7.503 -5.679 1.00 0.69 H new ATOM 0 HG1 THR A 29 0.928 6.315 -3.690 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.073 5.102 -5.075 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.725 5.667 -5.422 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.202 5.426 -3.738 1.00 0.74 H new ATOM 341 N GLY A 30 3.375 10.409 -5.082 1.00 0.60 N ATOM 342 CA GLY A 30 3.650 11.435 -6.069 1.00 0.64 C ATOM 343 C GLY A 30 5.039 12.011 -5.898 1.00 0.66 C ATOM 344 O GLY A 30 5.696 12.369 -6.875 1.00 0.72 O ATOM 0 H GLY A 30 2.851 10.720 -4.264 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.550 11.015 -7.070 1.00 0.64 H new ATOM 0 HA3 GLY A 30 2.911 12.232 -5.983 1.00 0.64 H new ATOM 348 N ALA A 31 5.491 12.095 -4.648 1.00 0.65 N ATOM 349 CA ALA A 31 6.815 12.625 -4.354 1.00 0.73 C ATOM 350 C ALA A 31 7.900 11.557 -4.515 1.00 0.75 C ATOM 351 O ALA A 31 9.090 11.863 -4.445 1.00 0.83 O ATOM 352 CB ALA A 31 6.848 13.200 -2.946 1.00 0.82 C ATOM 0 H ALA A 31 4.960 11.803 -3.827 1.00 0.65 H new ATOM 0 HA ALA A 31 7.023 13.418 -5.072 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.843 13.593 -2.737 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.115 14.003 -2.864 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.609 12.416 -2.227 1.00 0.82 H new ATOM 358 N VAL A 32 7.492 10.303 -4.724 1.00 0.76 N ATOM 359 CA VAL A 32 8.455 9.213 -4.883 1.00 0.87 C ATOM 360 C VAL A 32 8.820 8.973 -6.344 1.00 0.91 C ATOM 361 O VAL A 32 9.991 8.793 -6.673 1.00 1.03 O ATOM 362 CB VAL A 32 7.939 7.889 -4.280 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.653 7.457 -4.960 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.996 6.797 -4.392 1.00 1.23 C ATOM 0 H VAL A 32 6.514 10.020 -4.786 1.00 0.76 H new ATOM 0 HA VAL A 32 9.345 9.532 -4.341 1.00 0.87 H new ATOM 0 HB VAL A 32 7.730 8.055 -3.223 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.306 6.522 -4.521 1.00 1.07 H new ATOM 0 HG12 VAL A 32 5.893 8.226 -4.824 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.835 7.312 -6.025 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.611 5.873 -3.961 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.241 6.634 -5.442 1.00 1.23 H new ATOM 0 HG23 VAL A 32 9.893 7.102 -3.854 1.00 1.23 H new ATOM 368 N GLN A 33 7.820 8.949 -7.215 1.00 0.90 N ATOM 369 CA GLN A 33 8.063 8.703 -8.634 1.00 1.04 C ATOM 370 C GLN A 33 7.616 9.875 -9.507 1.00 1.07 C ATOM 371 O GLN A 33 6.992 9.674 -10.549 1.00 1.22 O ATOM 372 CB GLN A 33 7.355 7.422 -9.074 1.00 1.22 C ATOM 373 CG GLN A 33 7.954 6.162 -8.470 1.00 1.37 C ATOM 374 CD GLN A 33 9.052 5.569 -9.330 1.00 1.19 C ATOM 375 OE1 GLN A 33 8.829 4.611 -10.070 1.00 1.67 O ATOM 376 NE2 GLN A 33 10.249 6.138 -9.236 1.00 1.88 N ATOM 0 H GLN A 33 6.841 9.095 -6.969 1.00 0.90 H new ATOM 0 HA GLN A 33 9.139 8.590 -8.765 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.303 7.484 -8.797 1.00 1.22 H new ATOM 0 HB3 GLN A 33 7.394 7.349 -10.161 1.00 1.22 H new ATOM 0 HG2 GLN A 33 8.355 6.392 -7.483 1.00 1.37 H new ATOM 0 HG3 GLN A 33 7.167 5.421 -8.330 1.00 1.37 H new ATOM 0 HE21 GLN A 33 10.389 6.931 -8.609 1.00 1.88 H new ATOM 0 HE22 GLN A 33 11.028 5.782 -9.790 1.00 1.88 H new ATOM 383 N PRO A 34 7.937 11.120 -9.110 1.00 1.04 N ATOM 384 CA PRO A 34 7.566 12.303 -9.889 1.00 1.23 C ATOM 385 C PRO A 34 8.167 12.258 -11.289 1.00 1.50 C ATOM 386 O PRO A 34 7.454 12.357 -12.288 1.00 1.84 O ATOM 387 CB PRO A 34 8.148 13.472 -9.083 1.00 1.29 C ATOM 388 CG PRO A 34 9.181 12.863 -8.199 1.00 1.15 C ATOM 389 CD PRO A 34 8.700 11.473 -7.902 1.00 0.96 C ATOM 0 HA PRO A 34 6.489 12.382 -10.035 1.00 1.23 H new ATOM 0 HB2 PRO A 34 8.586 14.224 -9.740 1.00 1.29 H new ATOM 0 HB3 PRO A 34 7.375 13.971 -8.499 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.154 12.843 -8.691 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.299 13.440 -7.282 1.00 1.15 H new ATOM 0 HD2 PRO A 34 9.530 10.786 -7.734 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.077 11.444 -7.008 1.00 0.96 H new ATOM 397 N GLU A 35 9.485 12.093 -11.350 1.00 1.43 N ATOM 398 CA GLU A 35 10.192 12.013 -12.624 1.00 1.69 C ATOM 399 C GLU A 35 10.877 10.657 -12.777 1.00 1.95 C ATOM 400 O GLU A 35 11.903 10.542 -13.447 1.00 2.55 O ATOM 401 CB GLU A 35 11.226 13.136 -12.728 1.00 1.58 C ATOM 402 CG GLU A 35 10.612 14.523 -12.820 1.00 2.20 C ATOM 403 CD GLU A 35 10.313 15.119 -11.458 1.00 2.95 C ATOM 404 OE1 GLU A 35 11.021 14.772 -10.489 1.00 3.47 O ATOM 405 OE2 GLU A 35 9.369 15.932 -11.360 1.00 3.53 O ATOM 0 H GLU A 35 10.086 12.012 -10.530 1.00 1.43 H new ATOM 0 HA GLU A 35 9.463 12.126 -13.427 1.00 1.69 H new ATOM 0 HB2 GLU A 35 11.882 13.096 -11.859 1.00 1.58 H new ATOM 0 HB3 GLU A 35 11.849 12.965 -13.606 1.00 1.58 H new ATOM 0 HG2 GLU A 35 11.292 15.182 -13.360 1.00 2.20 H new ATOM 0 HG3 GLU A 35 9.691 14.471 -13.400 1.00 2.20 H new ATOM 412 N GLY A 36 10.309 9.634 -12.142 1.00 1.77 N ATOM 413 CA GLY A 36 10.887 8.303 -12.211 1.00 2.19 C ATOM 414 C GLY A 36 10.336 7.472 -13.355 1.00 1.74 C ATOM 415 O GLY A 36 9.786 8.008 -14.316 1.00 1.77 O ATOM 0 H GLY A 36 9.460 9.704 -11.582 1.00 1.77 H new ATOM 0 HA2 GLY A 36 11.968 8.388 -12.320 1.00 2.19 H new ATOM 0 HA3 GLY A 36 10.701 7.784 -11.271 1.00 2.19 H new ATOM 419 N ASN A 37 10.494 6.155 -13.247 1.00 2.06 N ATOM 420 CA ASN A 37 10.018 5.235 -14.275 1.00 2.08 C ATOM 421 C ASN A 37 8.550 4.876 -14.060 1.00 1.73 C ATOM 422 O ASN A 37 7.911 5.367 -13.128 1.00 1.94 O ATOM 423 CB ASN A 37 10.868 3.964 -14.285 1.00 3.12 C ATOM 424 CG ASN A 37 11.100 3.433 -15.686 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.266 4.202 -16.634 1.00 4.50 O ATOM 426 ND2 ASN A 37 11.112 2.113 -15.824 1.00 4.34 N ATOM 0 H ASN A 37 10.949 5.701 -12.455 1.00 2.06 H new ATOM 0 HA ASN A 37 10.109 5.736 -15.239 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.829 4.170 -13.814 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.377 3.197 -13.686 1.00 3.12 H new ATOM 0 HD21 ASN A 37 11.263 1.698 -16.743 1.00 4.34 H new ATOM 0 HD22 ASN A 37 10.970 1.514 -15.011 1.00 4.34 H new ATOM 431 N GLU A 38 8.023 4.023 -14.931 1.00 1.77 N ATOM 432 CA GLU A 38 6.629 3.601 -14.845 1.00 1.76 C ATOM 433 C GLU A 38 6.478 2.354 -13.976 1.00 1.90 C ATOM 434 O GLU A 38 7.120 1.333 -14.224 1.00 2.28 O ATOM 435 CB GLU A 38 6.073 3.329 -16.245 1.00 2.18 C ATOM 436 CG GLU A 38 4.560 3.446 -16.339 1.00 2.12 C ATOM 437 CD GLU A 38 3.842 2.575 -15.327 1.00 2.42 C ATOM 438 OE1 GLU A 38 4.211 1.389 -15.195 1.00 2.81 O ATOM 439 OE2 GLU A 38 2.910 3.080 -14.666 1.00 2.88 O ATOM 0 H GLU A 38 8.541 3.609 -15.706 1.00 1.77 H new ATOM 0 HA GLU A 38 6.063 4.409 -14.381 1.00 1.76 H new ATOM 0 HB2 GLU A 38 6.526 4.028 -16.948 1.00 2.18 H new ATOM 0 HB3 GLU A 38 6.370 2.327 -16.555 1.00 2.18 H new ATOM 0 HG2 GLU A 38 4.270 4.486 -16.188 1.00 2.12 H new ATOM 0 HG3 GLU A 38 4.240 3.168 -17.343 1.00 2.12 H new ATOM 446 N VAL A 39 5.618 2.440 -12.962 1.00 1.79 N ATOM 447 CA VAL A 39 5.377 1.312 -12.064 1.00 2.04 C ATOM 448 C VAL A 39 3.893 1.197 -11.719 1.00 1.58 C ATOM 449 O VAL A 39 3.065 1.920 -12.273 1.00 1.86 O ATOM 450 CB VAL A 39 6.202 1.433 -10.763 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.690 1.496 -11.076 1.00 3.56 C ATOM 452 CG2 VAL A 39 5.770 2.649 -9.957 1.00 3.20 C ATOM 0 H VAL A 39 5.078 3.277 -12.742 1.00 1.79 H new ATOM 0 HA VAL A 39 5.694 0.412 -12.591 1.00 2.04 H new ATOM 0 HB VAL A 39 6.016 0.545 -10.160 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.254 1.581 -10.147 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.990 0.589 -11.601 1.00 3.56 H new ATOM 0 HG13 VAL A 39 7.893 2.363 -11.704 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.365 2.712 -9.046 1.00 3.20 H new ATOM 0 HG22 VAL A 39 5.919 3.551 -10.551 1.00 3.20 H new ATOM 0 HG23 VAL A 39 4.716 2.557 -9.696 1.00 3.20 H new ATOM 456 N GLU A 40 3.556 0.286 -10.806 1.00 1.19 N ATOM 457 CA GLU A 40 2.164 0.094 -10.408 1.00 0.87 C ATOM 458 C GLU A 40 2.049 -0.362 -8.954 1.00 0.72 C ATOM 459 O GLU A 40 2.668 -1.350 -8.548 1.00 0.71 O ATOM 460 CB GLU A 40 1.485 -0.922 -11.328 1.00 0.85 C ATOM 461 CG GLU A 40 2.086 -2.316 -11.242 1.00 0.98 C ATOM 462 CD GLU A 40 1.098 -3.349 -10.734 1.00 1.62 C ATOM 463 OE1 GLU A 40 -0.103 -3.231 -11.058 1.00 2.29 O ATOM 464 OE2 GLU A 40 1.524 -4.275 -10.013 1.00 2.10 O ATOM 0 H GLU A 40 4.222 -0.325 -10.333 1.00 1.19 H new ATOM 0 HA GLU A 40 1.661 1.057 -10.498 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.426 -0.976 -11.077 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.552 -0.569 -12.357 1.00 0.85 H new ATOM 0 HG2 GLU A 40 2.443 -2.615 -12.228 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.953 -2.293 -10.582 1.00 0.98 H new ATOM 471 N MET A 41 1.246 0.362 -8.174 1.00 0.77 N ATOM 472 CA MET A 41 1.048 0.031 -6.764 1.00 0.73 C ATOM 473 C MET A 41 -0.403 0.258 -6.340 1.00 0.68 C ATOM 474 O MET A 41 -0.815 1.386 -6.062 1.00 0.72 O ATOM 475 CB MET A 41 1.984 0.868 -5.889 1.00 0.88 C ATOM 476 CG MET A 41 1.984 0.456 -4.424 1.00 1.06 C ATOM 477 SD MET A 41 2.145 1.866 -3.308 1.00 1.42 S ATOM 478 CE MET A 41 3.897 1.815 -2.936 1.00 1.11 C ATOM 0 H MET A 41 0.724 1.178 -8.494 1.00 0.77 H new ATOM 0 HA MET A 41 1.280 -1.026 -6.632 1.00 0.73 H new ATOM 0 HB2 MET A 41 2.999 0.789 -6.279 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.695 1.916 -5.962 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.060 -0.077 -4.200 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.804 -0.240 -4.246 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.148 2.628 -2.255 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.142 0.861 -2.468 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.468 1.924 -3.858 1.00 1.11 H new ATOM 488 N THR A 42 -1.174 -0.822 -6.285 1.00 0.81 N ATOM 489 CA THR A 42 -2.575 -0.740 -5.888 1.00 0.79 C ATOM 490 C THR A 42 -2.723 -0.952 -4.384 1.00 0.77 C ATOM 491 O THR A 42 -1.886 -1.601 -3.756 1.00 1.11 O ATOM 492 CB THR A 42 -3.405 -1.778 -6.650 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.568 -2.739 -7.266 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.276 -1.170 -7.729 1.00 1.61 C ATOM 0 H THR A 42 -0.853 -1.764 -6.510 1.00 0.81 H new ATOM 0 HA THR A 42 -2.942 0.256 -6.135 1.00 0.79 H new ATOM 0 HB THR A 42 -4.048 -2.239 -5.900 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.118 -3.393 -7.745 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.838 -1.958 -8.230 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.970 -0.460 -7.279 1.00 1.61 H new ATOM 0 HG23 THR A 42 -3.648 -0.654 -8.455 1.00 1.61 H new ATOM 499 N VAL A 43 -3.790 -0.404 -3.811 1.00 0.65 N ATOM 500 CA VAL A 43 -4.036 -0.543 -2.381 1.00 0.64 C ATOM 501 C VAL A 43 -5.520 -0.395 -2.050 1.00 0.58 C ATOM 502 O VAL A 43 -6.165 0.597 -2.406 1.00 0.71 O ATOM 503 CB VAL A 43 -3.219 0.479 -1.564 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.631 1.900 -1.906 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.370 0.217 -0.072 1.00 1.51 C ATOM 0 H VAL A 43 -4.494 0.137 -4.312 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.715 -1.548 -2.105 1.00 0.64 H new ATOM 0 HB VAL A 43 -2.168 0.361 -1.827 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.041 2.602 -1.317 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -3.460 2.083 -2.967 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -4.689 2.037 -1.680 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.786 0.948 0.487 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -4.420 0.301 0.208 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -3.012 -0.786 0.159 1.00 1.51 H new ATOM 509 N ARG A 44 -6.057 -1.398 -1.364 1.00 0.55 N ATOM 510 CA ARG A 44 -7.462 -1.395 -0.979 1.00 0.54 C ATOM 511 C ARG A 44 -7.607 -1.210 0.526 1.00 0.57 C ATOM 512 O ARG A 44 -7.050 -1.975 1.314 1.00 0.69 O ATOM 513 CB ARG A 44 -8.138 -2.702 -1.407 1.00 0.61 C ATOM 514 CG ARG A 44 -7.679 -3.221 -2.761 1.00 1.19 C ATOM 515 CD ARG A 44 -8.413 -2.533 -3.900 1.00 1.98 C ATOM 516 NE ARG A 44 -9.860 -2.720 -3.811 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.488 -3.833 -4.180 1.00 3.13 C ATOM 518 NH1 ARG A 44 -9.802 -4.861 -4.664 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.806 -3.920 -4.062 1.00 3.77 N ATOM 0 H ARG A 44 -5.539 -2.224 -1.063 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.949 -0.561 -1.484 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.943 -3.464 -0.652 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -9.217 -2.549 -1.435 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -6.606 -3.060 -2.869 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -7.847 -4.297 -2.816 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -8.184 -1.467 -3.888 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -8.055 -2.925 -4.852 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.421 -1.951 -3.444 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -8.788 -4.800 -4.755 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -10.289 -5.712 -4.945 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -12.338 -3.134 -3.688 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -12.288 -4.773 -4.345 1.00 3.77 H new ATOM 533 N ILE A 45 -8.363 -0.197 0.926 1.00 0.55 N ATOM 534 CA ILE A 45 -8.581 0.069 2.341 1.00 0.61 C ATOM 535 C ILE A 45 -10.028 -0.242 2.718 1.00 0.59 C ATOM 536 O ILE A 45 -10.936 0.547 2.455 1.00 0.60 O ATOM 537 CB ILE A 45 -8.231 1.531 2.696 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.693 1.883 4.111 1.00 0.59 C ATOM 539 CG2 ILE A 45 -8.840 2.483 1.685 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.619 2.543 4.949 1.00 0.63 C ATOM 0 H ILE A 45 -8.834 0.451 0.294 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.919 -0.580 2.915 1.00 0.61 H new ATOM 0 HB ILE A 45 -7.146 1.634 2.663 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -9.554 2.548 4.049 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.027 0.975 4.612 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -8.583 3.509 1.950 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -8.451 2.257 0.692 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -9.924 2.369 1.685 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -8.016 2.765 5.940 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.766 1.871 5.042 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -7.301 3.469 4.470 1.00 0.63 H new ATOM 544 N VAL A 46 -10.232 -1.409 3.323 1.00 0.63 N ATOM 545 CA VAL A 46 -11.562 -1.847 3.727 1.00 0.63 C ATOM 546 C VAL A 46 -11.512 -2.619 5.044 1.00 0.64 C ATOM 547 O VAL A 46 -10.447 -3.064 5.470 1.00 0.68 O ATOM 548 CB VAL A 46 -12.202 -2.740 2.642 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.417 -4.033 2.473 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.659 -3.030 2.975 1.00 1.52 C ATOM 0 H VAL A 46 -9.488 -2.070 3.545 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.169 -0.952 3.861 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.171 -2.201 1.695 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.887 -4.646 1.704 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.394 -3.801 2.178 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.408 -4.579 3.416 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.091 -3.661 2.198 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.718 -3.544 3.934 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.213 -2.093 3.032 1.00 1.52 H new ATOM 554 N ASP A 47 -12.670 -2.775 5.683 1.00 0.66 N ATOM 555 CA ASP A 47 -12.758 -3.496 6.948 1.00 0.71 C ATOM 556 C ASP A 47 -12.156 -4.896 6.830 1.00 0.74 C ATOM 557 O ASP A 47 -11.518 -5.229 5.832 1.00 0.81 O ATOM 558 CB ASP A 47 -14.215 -3.592 7.406 1.00 0.75 C ATOM 559 CG ASP A 47 -14.365 -3.406 8.903 1.00 1.35 C ATOM 560 OD1 ASP A 47 -13.537 -2.685 9.496 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.311 -3.982 9.481 1.00 2.11 O ATOM 0 H ASP A 47 -13.560 -2.411 5.344 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.186 -2.939 7.690 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.806 -2.837 6.888 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.619 -4.564 7.121 1.00 0.75 H new ATOM 566 N GLU A 48 -12.359 -5.708 7.860 1.00 0.76 N ATOM 567 CA GLU A 48 -11.831 -7.069 7.880 1.00 0.82 C ATOM 568 C GLU A 48 -12.696 -8.019 7.056 1.00 0.79 C ATOM 569 O GLU A 48 -12.217 -8.652 6.116 1.00 0.83 O ATOM 570 CB GLU A 48 -11.735 -7.571 9.322 1.00 0.92 C ATOM 571 CG GLU A 48 -10.462 -7.145 10.031 1.00 1.39 C ATOM 572 CD GLU A 48 -10.365 -7.697 11.439 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.288 -7.442 12.241 1.00 1.81 O ATOM 574 OE2 GLU A 48 -9.369 -8.388 11.740 1.00 2.30 O ATOM 0 H GLU A 48 -12.886 -5.449 8.694 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.837 -7.048 7.433 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -12.594 -7.204 9.884 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.795 -8.659 9.324 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -9.600 -7.479 9.454 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -10.418 -6.057 10.068 1.00 1.39 H new ATOM 581 N ALA A 49 -13.970 -8.123 7.424 1.00 0.86 N ATOM 582 CA ALA A 49 -14.907 -9.007 6.732 1.00 0.89 C ATOM 583 C ALA A 49 -14.793 -8.892 5.214 1.00 0.83 C ATOM 584 O ALA A 49 -14.551 -9.882 4.522 1.00 0.80 O ATOM 585 CB ALA A 49 -16.332 -8.709 7.175 1.00 0.99 C ATOM 0 H ALA A 49 -14.380 -7.604 8.201 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.649 -10.031 7.001 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -17.021 -9.373 6.654 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -16.419 -8.867 8.250 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.577 -7.673 6.939 1.00 0.99 H new ATOM 591 N GLU A 50 -14.981 -7.683 4.703 1.00 0.87 N ATOM 592 CA GLU A 50 -14.915 -7.433 3.263 1.00 0.88 C ATOM 593 C GLU A 50 -13.673 -8.066 2.635 1.00 0.84 C ATOM 594 O GLU A 50 -13.780 -8.942 1.777 1.00 0.85 O ATOM 595 CB GLU A 50 -14.923 -5.929 2.985 1.00 0.98 C ATOM 596 CG GLU A 50 -15.972 -5.167 3.779 1.00 1.52 C ATOM 597 CD GLU A 50 -16.855 -4.300 2.902 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.575 -4.859 2.047 1.00 2.17 O ATOM 599 OE2 GLU A 50 -16.827 -3.063 3.070 1.00 1.85 O ATOM 0 H GLU A 50 -15.181 -6.855 5.264 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.794 -7.893 2.811 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -13.939 -5.521 3.214 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.096 -5.766 1.921 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -16.594 -5.876 4.325 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -15.476 -4.540 4.520 1.00 1.52 H new ATOM 606 N SER A 51 -12.499 -7.614 3.064 1.00 0.87 N ATOM 607 CA SER A 51 -11.239 -8.132 2.538 1.00 0.92 C ATOM 608 C SER A 51 -11.178 -9.653 2.652 1.00 0.84 C ATOM 609 O SER A 51 -10.969 -10.354 1.659 1.00 0.83 O ATOM 610 CB SER A 51 -10.058 -7.508 3.283 1.00 1.04 C ATOM 611 OG SER A 51 -10.190 -7.682 4.684 1.00 1.90 O ATOM 0 H SER A 51 -12.393 -6.890 3.775 1.00 0.87 H new ATOM 0 HA SER A 51 -11.181 -7.865 1.483 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.128 -7.963 2.943 1.00 1.04 H new ATOM 0 HB3 SER A 51 -9.997 -6.445 3.049 1.00 1.04 H new ATOM 0 HG SER A 51 -11.139 -7.754 4.917 1.00 1.90 H new ATOM 617 N HIS A 52 -11.360 -10.154 3.870 1.00 0.86 N ATOM 618 CA HIS A 52 -11.326 -11.591 4.124 1.00 0.86 C ATOM 619 C HIS A 52 -12.316 -12.328 3.229 1.00 0.83 C ATOM 620 O HIS A 52 -12.118 -13.498 2.898 1.00 0.90 O ATOM 621 CB HIS A 52 -11.624 -11.870 5.596 1.00 0.94 C ATOM 622 CG HIS A 52 -10.856 -10.983 6.523 1.00 0.99 C ATOM 623 ND1 HIS A 52 -9.661 -10.394 6.173 1.00 1.39 N ATOM 624 CD2 HIS A 52 -11.123 -10.570 7.784 1.00 1.61 C ATOM 625 CE1 HIS A 52 -9.222 -9.659 7.177 1.00 1.28 C ATOM 626 NE2 HIS A 52 -10.092 -9.747 8.168 1.00 1.39 N ATOM 0 H HIS A 52 -11.533 -9.585 4.699 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.326 -11.958 3.891 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.691 -11.739 5.777 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.388 -12.911 5.818 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -9.189 -10.508 5.276 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -11.985 -10.837 8.377 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -8.308 -9.084 7.187 1.00 1.28 H new ATOM 635 N GLU A 53 -13.370 -11.633 2.824 1.00 0.86 N ATOM 636 CA GLU A 53 -14.372 -12.220 1.949 1.00 0.95 C ATOM 637 C GLU A 53 -13.903 -12.145 0.501 1.00 0.94 C ATOM 638 O GLU A 53 -14.129 -13.062 -0.286 1.00 0.95 O ATOM 639 CB GLU A 53 -15.711 -11.498 2.105 1.00 1.10 C ATOM 640 CG GLU A 53 -16.917 -12.397 1.884 1.00 1.68 C ATOM 641 CD GLU A 53 -17.105 -12.770 0.427 1.00 2.38 C ATOM 642 OE1 GLU A 53 -16.723 -11.963 -0.447 1.00 3.10 O ATOM 643 OE2 GLU A 53 -17.637 -13.869 0.160 1.00 2.71 O ATOM 0 H GLU A 53 -13.552 -10.665 3.087 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.509 -13.265 2.227 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.768 -11.067 3.105 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -15.752 -10.669 1.398 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.802 -13.305 2.476 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -17.813 -11.892 2.245 1.00 1.68 H new ATOM 650 N LEU A 54 -13.239 -11.042 0.162 1.00 0.95 N ATOM 651 CA LEU A 54 -12.729 -10.838 -1.188 1.00 1.00 C ATOM 652 C LEU A 54 -11.588 -11.798 -1.497 1.00 0.89 C ATOM 653 O LEU A 54 -11.664 -12.587 -2.440 1.00 0.93 O ATOM 654 CB LEU A 54 -12.231 -9.401 -1.359 1.00 1.06 C ATOM 655 CG LEU A 54 -13.304 -8.310 -1.328 1.00 1.15 C ATOM 656 CD1 LEU A 54 -12.792 -7.059 -2.023 1.00 1.23 C ATOM 657 CD2 LEU A 54 -14.595 -8.791 -1.979 1.00 1.24 C ATOM 0 H LEU A 54 -13.042 -10.276 0.806 1.00 0.95 H new ATOM 0 HA LEU A 54 -13.549 -11.029 -1.880 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -11.507 -9.193 -0.572 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.699 -9.333 -2.308 1.00 1.06 H new ATOM 0 HG LEU A 54 -13.523 -8.074 -0.287 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -13.561 -6.287 -1.997 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -11.899 -6.699 -1.512 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -12.548 -7.293 -3.059 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -15.339 -7.995 -1.943 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -14.401 -9.059 -3.018 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.970 -9.663 -1.443 1.00 1.24 H new ATOM 663 N ASN A 55 -10.524 -11.721 -0.701 1.00 0.78 N ATOM 664 CA ASN A 55 -9.360 -12.578 -0.900 1.00 0.71 C ATOM 665 C ASN A 55 -9.763 -14.044 -0.977 1.00 0.69 C ATOM 666 O ASN A 55 -9.331 -14.769 -1.874 1.00 0.74 O ATOM 667 CB ASN A 55 -8.339 -12.366 0.219 1.00 0.68 C ATOM 668 CG ASN A 55 -8.942 -12.543 1.600 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.153 -12.692 1.737 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.103 -12.529 2.633 1.00 1.42 N ATOM 0 H ASN A 55 -10.445 -11.076 0.085 1.00 0.78 H new ATOM 0 HA ASN A 55 -8.901 -12.303 -1.850 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -7.516 -13.070 0.093 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.917 -11.364 0.136 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.460 -12.645 3.581 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.103 -12.403 2.476 1.00 1.42 H new ATOM 675 N LEU A 56 -10.598 -14.482 -0.041 1.00 0.71 N ATOM 676 CA LEU A 56 -11.049 -15.865 -0.034 1.00 0.79 C ATOM 677 C LEU A 56 -11.951 -16.133 -1.224 1.00 0.87 C ATOM 678 O LEU A 56 -11.725 -17.077 -1.982 1.00 0.97 O ATOM 679 CB LEU A 56 -11.770 -16.199 1.273 1.00 0.84 C ATOM 680 CG LEU A 56 -10.861 -16.702 2.395 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.712 -15.737 2.624 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.652 -16.899 3.679 1.00 0.92 C ATOM 0 H LEU A 56 -10.971 -13.906 0.713 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.173 -16.509 -0.110 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.294 -15.309 1.620 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.527 -16.956 1.071 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.449 -17.665 2.094 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.076 -16.112 3.426 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.126 -15.645 1.709 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.107 -14.760 2.901 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.987 -17.257 4.465 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.095 -15.950 3.983 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.442 -17.631 3.511 1.00 0.92 H new ATOM 688 N THR A 57 -12.952 -15.283 -1.413 1.00 0.93 N ATOM 689 CA THR A 57 -13.847 -15.432 -2.549 1.00 1.09 C ATOM 690 C THR A 57 -13.026 -15.432 -3.836 1.00 1.14 C ATOM 691 O THR A 57 -13.441 -15.982 -4.857 1.00 1.27 O ATOM 692 CB THR A 57 -14.884 -14.307 -2.575 1.00 1.23 C ATOM 693 OG1 THR A 57 -15.781 -14.426 -1.484 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.710 -14.283 -3.842 1.00 1.45 C ATOM 0 H THR A 57 -13.162 -14.494 -0.802 1.00 0.93 H new ATOM 0 HA THR A 57 -14.384 -16.377 -2.460 1.00 1.09 H new ATOM 0 HB THR A 57 -14.308 -13.384 -2.516 1.00 1.23 H new ATOM 0 HG1 THR A 57 -15.284 -14.351 -0.642 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.425 -13.462 -3.795 1.00 1.45 H new ATOM 0 HG22 THR A 57 -15.054 -14.144 -4.701 1.00 1.45 H new ATOM 0 HG23 THR A 57 -16.247 -15.226 -3.944 1.00 1.45 H new ATOM 699 N TYR A 58 -11.843 -14.820 -3.763 1.00 1.08 N ATOM 700 CA TYR A 58 -10.939 -14.752 -4.898 1.00 1.17 C ATOM 701 C TYR A 58 -10.158 -16.057 -5.036 1.00 1.08 C ATOM 702 O TYR A 58 -10.044 -16.604 -6.132 1.00 1.19 O ATOM 703 CB TYR A 58 -9.963 -13.582 -4.735 1.00 1.25 C ATOM 704 CG TYR A 58 -10.564 -12.226 -5.042 1.00 1.20 C ATOM 705 CD1 TYR A 58 -11.415 -12.047 -6.125 1.00 1.25 C ATOM 706 CD2 TYR A 58 -10.272 -11.121 -4.249 1.00 1.67 C ATOM 707 CE1 TYR A 58 -11.959 -10.808 -6.408 1.00 1.55 C ATOM 708 CE2 TYR A 58 -10.810 -9.881 -4.525 1.00 2.23 C ATOM 709 CZ TYR A 58 -11.654 -9.728 -5.605 1.00 2.11 C ATOM 710 OH TYR A 58 -12.192 -8.493 -5.885 1.00 2.74 O ATOM 0 H TYR A 58 -11.492 -14.363 -2.921 1.00 1.08 H new ATOM 0 HA TYR A 58 -11.533 -14.596 -5.799 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -9.587 -13.577 -3.712 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -9.106 -13.744 -5.389 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.656 -12.890 -6.756 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -9.612 -11.236 -3.402 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -12.620 -10.686 -7.254 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -10.571 -9.034 -3.898 1.00 2.23 H new ATOM 0 HH TYR A 58 -11.878 -7.842 -5.223 1.00 2.74 H new ATOM 720 N ARG A 59 -9.613 -16.552 -3.921 1.00 0.99 N ATOM 721 CA ARG A 59 -8.839 -17.794 -3.955 1.00 0.99 C ATOM 722 C ARG A 59 -8.805 -18.524 -2.609 1.00 0.90 C ATOM 723 O ARG A 59 -8.746 -19.753 -2.572 1.00 0.97 O ATOM 724 CB ARG A 59 -7.407 -17.502 -4.395 1.00 1.05 C ATOM 725 CG ARG A 59 -6.819 -16.236 -3.790 1.00 1.58 C ATOM 726 CD ARG A 59 -6.141 -16.517 -2.458 1.00 1.65 C ATOM 727 NE ARG A 59 -4.700 -16.713 -2.608 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.114 -17.905 -2.711 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.836 -19.019 -2.671 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.798 -17.984 -2.853 1.00 3.32 N ATOM 0 H ARG A 59 -9.691 -16.121 -3.000 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.341 -18.448 -4.668 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -6.775 -18.348 -4.125 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -7.382 -17.419 -5.482 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.097 -15.802 -4.482 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -7.609 -15.498 -3.649 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.325 -15.687 -1.775 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.583 -17.405 -2.007 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.106 -15.885 -2.636 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.849 -18.967 -2.561 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.378 -19.927 -2.751 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.236 -17.133 -2.883 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.347 -18.896 -2.932 1.00 3.32 H new ATOM 744 N GLY A 60 -8.817 -17.777 -1.509 1.00 0.81 N ATOM 745 CA GLY A 60 -8.763 -18.400 -0.195 1.00 0.80 C ATOM 746 C GLY A 60 -7.555 -17.947 0.604 1.00 0.78 C ATOM 747 O GLY A 60 -6.895 -18.752 1.260 1.00 0.88 O ATOM 0 H GLY A 60 -8.863 -16.758 -1.501 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -9.672 -18.160 0.357 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -8.736 -19.484 -0.309 1.00 0.80 H new ATOM 751 N LYS A 61 -7.260 -16.652 0.535 1.00 0.76 N ATOM 752 CA LYS A 61 -6.121 -16.077 1.242 1.00 0.90 C ATOM 753 C LYS A 61 -6.317 -16.110 2.757 1.00 0.95 C ATOM 754 O LYS A 61 -7.184 -16.817 3.270 1.00 1.42 O ATOM 755 CB LYS A 61 -5.879 -14.643 0.771 1.00 1.17 C ATOM 756 CG LYS A 61 -4.409 -14.284 0.628 1.00 1.31 C ATOM 757 CD LYS A 61 -4.169 -13.388 -0.576 1.00 1.00 C ATOM 758 CE LYS A 61 -2.705 -12.995 -0.693 1.00 1.42 C ATOM 759 NZ LYS A 61 -1.906 -14.041 -1.389 1.00 2.13 N ATOM 0 H LYS A 61 -7.799 -15.977 -0.008 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.247 -16.685 1.011 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -6.374 -14.497 -0.189 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.344 -13.955 1.477 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.067 -13.780 1.532 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -3.819 -15.195 0.528 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -4.482 -13.904 -1.484 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.782 -12.491 -0.492 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.624 -12.054 -1.237 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -2.294 -12.825 0.302 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -0.913 -13.737 -1.449 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -1.963 -14.933 -0.857 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.283 -14.185 -2.348 1.00 2.13 H new ATOM 773 N ASP A 62 -5.486 -15.349 3.464 1.00 1.17 N ATOM 774 CA ASP A 62 -5.529 -15.285 4.922 1.00 1.25 C ATOM 775 C ASP A 62 -6.939 -15.037 5.453 1.00 1.66 C ATOM 776 O ASP A 62 -7.875 -14.797 4.692 1.00 2.50 O ATOM 777 CB ASP A 62 -4.588 -14.189 5.426 1.00 1.84 C ATOM 778 CG ASP A 62 -3.181 -14.700 5.664 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.603 -15.303 4.735 1.00 3.06 O ATOM 780 OD2 ASP A 62 -2.657 -14.498 6.780 1.00 2.95 O ATOM 0 H ASP A 62 -4.766 -14.761 3.044 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.205 -16.256 5.296 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -4.559 -13.377 4.700 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.982 -13.773 6.353 1.00 1.84 H new ATOM 785 N ARG A 63 -7.065 -15.098 6.773 1.00 1.71 N ATOM 786 CA ARG A 63 -8.339 -14.888 7.455 1.00 2.49 C ATOM 787 C ARG A 63 -8.269 -13.598 8.286 1.00 2.22 C ATOM 788 O ARG A 63 -7.417 -12.754 8.013 1.00 1.77 O ATOM 789 CB ARG A 63 -8.651 -16.108 8.331 1.00 3.33 C ATOM 790 CG ARG A 63 -8.067 -17.410 7.804 1.00 4.23 C ATOM 791 CD ARG A 63 -6.634 -17.611 8.273 1.00 4.88 C ATOM 792 NE ARG A 63 -6.497 -18.794 9.120 1.00 5.84 N ATOM 793 CZ ARG A 63 -6.708 -20.038 8.695 1.00 6.66 C ATOM 794 NH1 ARG A 63 -7.063 -20.267 7.437 1.00 6.76 N ATOM 795 NH2 ARG A 63 -6.563 -21.056 9.532 1.00 7.66 N ATOM 0 H ARG A 63 -6.287 -15.295 7.403 1.00 1.71 H new ATOM 0 HA ARG A 63 -9.144 -14.776 6.729 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -8.268 -15.929 9.336 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -9.732 -16.215 8.417 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.681 -18.246 8.138 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -8.097 -17.408 6.714 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -5.979 -17.707 7.407 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -6.306 -16.730 8.825 1.00 4.88 H new ATOM 0 HE ARG A 63 -6.224 -18.659 10.093 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -7.176 -19.487 6.789 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -7.223 -21.223 7.118 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -6.290 -20.886 10.500 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -6.724 -22.010 9.208 1.00 7.66 H new ATOM 809 N PRO A 64 -9.146 -13.400 9.304 1.00 3.04 N ATOM 810 CA PRO A 64 -9.122 -12.181 10.127 1.00 3.30 C ATOM 811 C PRO A 64 -7.705 -11.727 10.462 1.00 2.79 C ATOM 812 O PRO A 64 -7.102 -12.183 11.433 1.00 3.00 O ATOM 813 CB PRO A 64 -9.875 -12.610 11.380 1.00 4.45 C ATOM 814 CG PRO A 64 -10.893 -13.566 10.869 1.00 4.81 C ATOM 815 CD PRO A 64 -10.226 -14.316 9.743 1.00 4.12 C ATOM 0 HA PRO A 64 -9.563 -11.324 9.618 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -9.211 -13.081 12.105 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -10.339 -11.759 11.879 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -11.217 -14.248 11.655 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.781 -13.040 10.517 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.828 -15.273 10.080 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.925 -14.529 8.934 1.00 4.12 H new ATOM 823 N THR A 65 -7.180 -10.833 9.630 1.00 2.27 N ATOM 824 CA THR A 65 -5.831 -10.311 9.802 1.00 2.01 C ATOM 825 C THR A 65 -5.857 -8.849 10.248 1.00 1.59 C ATOM 826 O THR A 65 -6.884 -8.347 10.703 1.00 1.81 O ATOM 827 CB THR A 65 -5.061 -10.447 8.484 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.680 -10.191 8.677 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.555 -9.508 7.403 1.00 2.82 C ATOM 0 H THR A 65 -7.675 -10.453 8.823 1.00 2.27 H new ATOM 0 HA THR A 65 -5.331 -10.888 10.580 1.00 2.01 H new ATOM 0 HB THR A 65 -5.229 -11.473 8.158 1.00 2.13 H new ATOM 0 HG1 THR A 65 -3.208 -10.285 7.824 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.968 -9.655 6.497 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.604 -9.715 7.193 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.449 -8.477 7.740 1.00 2.82 H new ATOM 834 N ASN A 66 -4.721 -8.173 10.104 1.00 1.36 N ATOM 835 CA ASN A 66 -4.608 -6.768 10.481 1.00 1.09 C ATOM 836 C ASN A 66 -4.166 -5.925 9.290 1.00 0.83 C ATOM 837 O ASN A 66 -4.668 -4.820 9.076 1.00 1.09 O ATOM 838 CB ASN A 66 -3.617 -6.605 11.635 1.00 1.37 C ATOM 839 CG ASN A 66 -2.235 -7.122 11.290 1.00 1.54 C ATOM 840 OD1 ASN A 66 -2.067 -8.289 10.934 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.235 -6.254 11.393 1.00 1.35 N ATOM 0 H ASN A 66 -3.863 -8.577 9.728 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.589 -6.422 10.806 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.550 -5.551 11.906 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.992 -7.136 12.510 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -0.282 -6.545 11.173 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.420 -5.296 11.692 1.00 1.35 H new ATOM 846 N VAL A 67 -3.224 -6.454 8.513 1.00 0.71 N ATOM 847 CA VAL A 67 -2.716 -5.755 7.340 1.00 0.79 C ATOM 848 C VAL A 67 -2.517 -6.718 6.173 1.00 0.79 C ATOM 849 O VAL A 67 -1.389 -7.073 5.831 1.00 0.81 O ATOM 850 CB VAL A 67 -1.383 -5.044 7.641 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.973 -4.163 6.471 1.00 1.59 C ATOM 852 CG2 VAL A 67 -1.490 -4.229 8.921 1.00 1.51 C ATOM 0 H VAL A 67 -2.798 -7.366 8.677 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.461 -5.007 7.068 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.612 -5.801 7.784 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.029 -3.669 6.701 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.853 -4.777 5.578 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.743 -3.412 6.294 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -0.539 -3.734 9.118 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -2.273 -3.479 8.811 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -1.734 -4.889 9.753 1.00 1.51 H new ATOM 856 N LEU A 68 -3.623 -7.138 5.569 1.00 0.86 N ATOM 857 CA LEU A 68 -3.582 -8.063 4.440 1.00 0.89 C ATOM 858 C LEU A 68 -3.266 -7.316 3.145 1.00 0.81 C ATOM 859 O LEU A 68 -3.578 -6.134 3.004 1.00 0.75 O ATOM 860 CB LEU A 68 -4.923 -8.803 4.335 1.00 0.99 C ATOM 861 CG LEU A 68 -5.247 -9.437 2.979 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.664 -10.839 2.893 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.754 -9.470 2.765 1.00 1.10 C ATOM 0 H LEU A 68 -4.563 -6.852 5.843 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.789 -8.793 4.603 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.940 -9.587 5.092 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.720 -8.102 4.584 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.796 -8.832 2.193 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.904 -11.274 1.923 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.582 -10.791 3.011 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.088 -11.458 3.683 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.974 -9.923 1.798 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.221 -10.057 3.556 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.147 -8.454 2.788 1.00 1.10 H new ATOM 869 N SER A 69 -2.638 -8.012 2.201 1.00 0.96 N ATOM 870 CA SER A 69 -2.277 -7.407 0.924 1.00 0.97 C ATOM 871 C SER A 69 -2.359 -8.419 -0.213 1.00 0.86 C ATOM 872 O SER A 69 -2.423 -9.627 0.016 1.00 0.89 O ATOM 873 CB SER A 69 -0.866 -6.820 0.997 1.00 1.18 C ATOM 874 OG SER A 69 -0.740 -5.915 2.083 1.00 1.85 O ATOM 0 H SER A 69 -2.370 -8.991 2.296 1.00 0.96 H new ATOM 0 HA SER A 69 -2.990 -6.608 0.720 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.140 -7.626 1.106 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.635 -6.306 0.064 1.00 1.18 H new ATOM 0 HG SER A 69 0.209 -5.752 2.264 1.00 1.85 H new ATOM 880 N PHE A 70 -2.353 -7.914 -1.442 1.00 0.81 N ATOM 881 CA PHE A 70 -2.423 -8.765 -2.624 1.00 0.82 C ATOM 882 C PHE A 70 -1.108 -8.714 -3.402 1.00 0.91 C ATOM 883 O PHE A 70 -0.855 -7.765 -4.146 1.00 1.03 O ATOM 884 CB PHE A 70 -3.582 -8.326 -3.522 1.00 0.89 C ATOM 885 CG PHE A 70 -4.905 -8.922 -3.134 1.00 0.96 C ATOM 886 CD1 PHE A 70 -5.330 -8.902 -1.815 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.725 -9.500 -4.090 1.00 1.16 C ATOM 888 CE1 PHE A 70 -6.548 -9.447 -1.457 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.945 -10.046 -3.738 1.00 1.33 C ATOM 890 CZ PHE A 70 -7.358 -10.020 -2.419 1.00 1.48 C ATOM 0 H PHE A 70 -2.300 -6.916 -1.646 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.594 -9.792 -2.300 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.661 -7.239 -3.494 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.357 -8.602 -4.552 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.702 -8.455 -1.058 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -5.407 -9.524 -5.122 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -6.867 -9.425 -0.425 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.575 -10.493 -4.493 1.00 1.33 H new ATOM 0 HZ PHE A 70 -8.311 -10.446 -2.141 1.00 1.48 H new ATOM 900 N PRO A 71 -0.249 -9.737 -3.240 1.00 0.95 N ATOM 901 CA PRO A 71 1.046 -9.809 -3.927 1.00 1.11 C ATOM 902 C PRO A 71 0.905 -10.235 -5.380 1.00 1.11 C ATOM 903 O PRO A 71 -0.103 -10.820 -5.771 1.00 1.14 O ATOM 904 CB PRO A 71 1.780 -10.887 -3.138 1.00 1.18 C ATOM 905 CG PRO A 71 0.691 -11.810 -2.734 1.00 1.13 C ATOM 906 CD PRO A 71 -0.468 -10.917 -2.378 1.00 0.95 C ATOM 0 HA PRO A 71 1.553 -8.845 -3.958 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.530 -11.391 -3.747 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.298 -10.472 -2.273 1.00 1.18 H new ATOM 0 HG2 PRO A 71 0.430 -12.490 -3.545 1.00 1.13 H new ATOM 0 HG3 PRO A 71 0.990 -12.425 -1.885 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -1.425 -11.396 -2.583 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.464 -10.652 -1.321 1.00 0.95 H new ATOM 914 N PHE A 72 1.925 -9.943 -6.177 1.00 1.22 N ATOM 915 CA PHE A 72 1.911 -10.308 -7.584 1.00 1.28 C ATOM 916 C PHE A 72 2.265 -11.777 -7.773 1.00 1.36 C ATOM 917 O PHE A 72 3.438 -12.148 -7.753 1.00 1.47 O ATOM 918 CB PHE A 72 2.891 -9.440 -8.372 1.00 1.36 C ATOM 919 CG PHE A 72 2.470 -9.217 -9.795 1.00 1.05 C ATOM 920 CD1 PHE A 72 1.157 -8.899 -10.092 1.00 1.65 C ATOM 921 CD2 PHE A 72 3.385 -9.319 -10.830 1.00 1.38 C ATOM 922 CE1 PHE A 72 0.760 -8.686 -11.399 1.00 1.83 C ATOM 923 CE2 PHE A 72 2.996 -9.107 -12.139 1.00 1.46 C ATOM 924 CZ PHE A 72 1.681 -8.790 -12.424 1.00 1.39 C ATOM 0 H PHE A 72 2.768 -9.456 -5.873 1.00 1.22 H new ATOM 0 HA PHE A 72 0.901 -10.142 -7.959 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.993 -8.475 -7.875 1.00 1.36 H new ATOM 0 HB3 PHE A 72 3.874 -9.911 -8.360 1.00 1.36 H new ATOM 0 HD1 PHE A 72 0.434 -8.816 -9.294 1.00 1.65 H new ATOM 0 HD2 PHE A 72 4.413 -9.567 -10.612 1.00 1.38 H new ATOM 0 HE1 PHE A 72 -0.268 -8.439 -11.619 1.00 1.83 H new ATOM 0 HE2 PHE A 72 3.718 -9.189 -12.938 1.00 1.46 H new ATOM 0 HZ PHE A 72 1.374 -8.624 -13.446 1.00 1.39 H new ATOM 934 N GLU A 73 1.247 -12.610 -7.969 1.00 1.56 N ATOM 935 CA GLU A 73 1.466 -14.034 -8.175 1.00 1.67 C ATOM 936 C GLU A 73 2.165 -14.266 -9.509 1.00 1.31 C ATOM 937 O GLU A 73 1.542 -14.670 -10.490 1.00 1.43 O ATOM 938 CB GLU A 73 0.137 -14.791 -8.139 1.00 2.21 C ATOM 939 CG GLU A 73 -0.889 -14.265 -9.129 1.00 2.25 C ATOM 940 CD GLU A 73 -1.643 -15.378 -9.832 1.00 2.36 C ATOM 941 OE1 GLU A 73 -2.585 -15.931 -9.226 1.00 2.89 O ATOM 942 OE2 GLU A 73 -1.293 -15.694 -10.988 1.00 2.62 O ATOM 0 H GLU A 73 0.268 -12.324 -7.989 1.00 1.56 H new ATOM 0 HA GLU A 73 2.100 -14.409 -7.371 1.00 1.67 H new ATOM 0 HB2 GLU A 73 0.323 -15.845 -8.346 1.00 2.21 H new ATOM 0 HB3 GLU A 73 -0.278 -14.732 -7.133 1.00 2.21 H new ATOM 0 HG2 GLU A 73 -1.599 -13.624 -8.606 1.00 2.25 H new ATOM 0 HG3 GLU A 73 -0.387 -13.645 -9.872 1.00 2.25 H new ATOM 949 N CYS A 74 3.464 -13.992 -9.536 1.00 1.48 N ATOM 950 CA CYS A 74 4.257 -14.153 -10.747 1.00 1.68 C ATOM 951 C CYS A 74 5.700 -14.524 -10.403 1.00 1.76 C ATOM 952 O CYS A 74 6.090 -14.494 -9.236 1.00 2.31 O ATOM 953 CB CYS A 74 4.211 -12.866 -11.566 1.00 2.63 C ATOM 954 SG CYS A 74 3.277 -13.003 -13.110 1.00 3.95 S ATOM 0 H CYS A 74 3.991 -13.656 -8.730 1.00 1.48 H new ATOM 0 HA CYS A 74 3.836 -14.965 -11.340 1.00 1.68 H new ATOM 0 HB2 CYS A 74 3.771 -12.076 -10.957 1.00 2.63 H new ATOM 0 HB3 CYS A 74 5.231 -12.559 -11.797 1.00 2.63 H new ATOM 0 HG CYS A 74 3.295 -11.861 -13.731 1.00 3.95 H new ATOM 960 N PRO A 75 6.515 -14.881 -11.412 1.00 1.68 N ATOM 961 CA PRO A 75 7.914 -15.258 -11.190 1.00 2.01 C ATOM 962 C PRO A 75 8.767 -14.076 -10.740 1.00 2.43 C ATOM 963 O PRO A 75 8.614 -12.961 -11.236 1.00 3.08 O ATOM 964 CB PRO A 75 8.375 -15.769 -12.556 1.00 2.13 C ATOM 965 CG PRO A 75 7.454 -15.136 -13.541 1.00 2.21 C ATOM 966 CD PRO A 75 6.139 -14.947 -12.835 1.00 1.89 C ATOM 0 HA PRO A 75 8.013 -15.998 -10.396 1.00 2.01 H new ATOM 0 HB2 PRO A 75 9.411 -15.492 -12.751 1.00 2.13 H new ATOM 0 HB3 PRO A 75 8.321 -16.856 -12.608 1.00 2.13 H new ATOM 0 HG2 PRO A 75 7.851 -14.181 -13.885 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.334 -15.767 -14.422 1.00 2.21 H new ATOM 0 HD2 PRO A 75 5.637 -14.035 -13.160 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.456 -15.774 -13.031 1.00 1.89 H new ATOM 974 N ASP A 76 9.661 -14.330 -9.790 1.00 2.55 N ATOM 975 CA ASP A 76 10.535 -13.290 -9.262 1.00 3.28 C ATOM 976 C ASP A 76 11.545 -12.832 -10.308 1.00 3.54 C ATOM 977 O ASP A 76 11.857 -11.645 -10.404 1.00 4.33 O ATOM 978 CB ASP A 76 11.268 -13.796 -8.017 1.00 3.70 C ATOM 979 CG ASP A 76 10.630 -13.308 -6.732 1.00 4.37 C ATOM 980 OD1 ASP A 76 9.388 -13.184 -6.696 1.00 4.93 O ATOM 981 OD2 ASP A 76 11.371 -13.050 -5.762 1.00 4.70 O ATOM 0 H ASP A 76 9.799 -15.249 -9.370 1.00 2.55 H new ATOM 0 HA ASP A 76 9.913 -12.436 -8.992 1.00 3.28 H new ATOM 0 HB2 ASP A 76 11.279 -14.886 -8.023 1.00 3.70 H new ATOM 0 HB3 ASP A 76 12.307 -13.467 -8.051 1.00 3.70 H new ATOM 986 N GLU A 77 12.056 -13.777 -11.089 1.00 3.34 N ATOM 987 CA GLU A 77 13.034 -13.463 -12.124 1.00 4.10 C ATOM 988 C GLU A 77 12.379 -12.734 -13.293 1.00 4.12 C ATOM 989 O GLU A 77 12.328 -13.248 -14.412 1.00 4.72 O ATOM 990 CB GLU A 77 13.720 -14.739 -12.617 1.00 4.59 C ATOM 991 CG GLU A 77 15.193 -14.548 -12.939 1.00 5.37 C ATOM 992 CD GLU A 77 16.104 -15.222 -11.931 1.00 6.17 C ATOM 993 OE1 GLU A 77 15.800 -16.364 -11.527 1.00 6.39 O ATOM 994 OE2 GLU A 77 17.120 -14.607 -11.546 1.00 6.84 O ATOM 0 H GLU A 77 11.810 -14.765 -11.026 1.00 3.34 H new ATOM 0 HA GLU A 77 13.785 -12.805 -11.688 1.00 4.10 H new ATOM 0 HB2 GLU A 77 13.620 -15.513 -11.856 1.00 4.59 H new ATOM 0 HB3 GLU A 77 13.205 -15.098 -13.508 1.00 4.59 H new ATOM 0 HG2 GLU A 77 15.398 -14.947 -13.932 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.419 -13.482 -12.971 1.00 5.37 H new ATOM 1001 N VAL A 78 11.884 -11.531 -13.027 1.00 3.88 N ATOM 1002 CA VAL A 78 11.237 -10.724 -14.053 1.00 4.32 C ATOM 1003 C VAL A 78 11.738 -9.287 -14.006 1.00 4.59 C ATOM 1004 O VAL A 78 11.921 -8.720 -12.930 1.00 4.66 O ATOM 1005 CB VAL A 78 9.705 -10.726 -13.892 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.148 -12.121 -14.128 1.00 3.62 C ATOM 1007 CG2 VAL A 78 9.308 -10.207 -12.517 1.00 4.61 C ATOM 0 H VAL A 78 11.919 -11.092 -12.107 1.00 3.88 H new ATOM 0 HA VAL A 78 11.491 -11.169 -15.015 1.00 4.32 H new ATOM 0 HB VAL A 78 9.278 -10.058 -14.640 1.00 4.22 H new ATOM 0 HG11 VAL A 78 8.064 -12.105 -14.010 1.00 3.62 H new ATOM 0 HG12 VAL A 78 9.399 -12.447 -15.138 1.00 3.62 H new ATOM 0 HG13 VAL A 78 9.581 -12.813 -13.405 1.00 3.62 H new ATOM 0 HG21 VAL A 78 8.222 -10.217 -12.424 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.744 -10.845 -11.748 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.674 -9.188 -12.393 1.00 4.61 H new ATOM 1011 N GLU A 79 11.965 -8.704 -15.177 1.00 5.02 N ATOM 1012 CA GLU A 79 12.450 -7.334 -15.262 1.00 5.37 C ATOM 1013 C GLU A 79 11.333 -6.379 -15.668 1.00 4.83 C ATOM 1014 O GLU A 79 11.307 -5.873 -16.790 1.00 5.25 O ATOM 1015 CB GLU A 79 13.614 -7.246 -16.249 1.00 6.47 C ATOM 1016 CG GLU A 79 14.922 -7.784 -15.688 1.00 7.05 C ATOM 1017 CD GLU A 79 15.549 -8.840 -16.578 1.00 7.91 C ATOM 1018 OE1 GLU A 79 15.610 -8.621 -17.806 1.00 8.58 O ATOM 1019 OE2 GLU A 79 15.980 -9.885 -16.047 1.00 8.13 O ATOM 0 H GLU A 79 11.821 -9.159 -16.079 1.00 5.02 H new ATOM 0 HA GLU A 79 12.802 -7.036 -14.274 1.00 5.37 H new ATOM 0 HB2 GLU A 79 13.358 -7.801 -17.152 1.00 6.47 H new ATOM 0 HB3 GLU A 79 13.754 -6.206 -16.543 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.624 -6.960 -15.559 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.742 -8.207 -14.700 1.00 7.05 H new ATOM 1026 N LEU A 80 10.413 -6.136 -14.740 1.00 4.12 N ATOM 1027 CA LEU A 80 9.290 -5.240 -14.984 1.00 3.69 C ATOM 1028 C LEU A 80 8.874 -4.540 -13.689 1.00 3.19 C ATOM 1029 O LEU A 80 8.623 -5.196 -12.679 1.00 2.62 O ATOM 1030 CB LEU A 80 8.105 -6.018 -15.563 1.00 3.48 C ATOM 1031 CG LEU A 80 7.420 -6.978 -14.588 1.00 3.52 C ATOM 1032 CD1 LEU A 80 6.135 -6.365 -14.052 1.00 4.01 C ATOM 1033 CD2 LEU A 80 7.133 -8.312 -15.263 1.00 3.62 C ATOM 0 H LEU A 80 10.424 -6.550 -13.808 1.00 4.12 H new ATOM 0 HA LEU A 80 9.602 -4.485 -15.706 1.00 3.69 H new ATOM 0 HB2 LEU A 80 7.365 -5.305 -15.927 1.00 3.48 H new ATOM 0 HB3 LEU A 80 8.451 -6.587 -16.426 1.00 3.48 H new ATOM 0 HG LEU A 80 8.094 -7.155 -13.750 1.00 3.52 H new ATOM 0 HD11 LEU A 80 5.661 -7.061 -13.360 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.365 -5.436 -13.531 1.00 4.01 H new ATOM 0 HD13 LEU A 80 5.457 -6.158 -14.880 1.00 4.01 H new ATOM 0 HD21 LEU A 80 6.646 -8.981 -14.554 1.00 3.62 H new ATOM 0 HD22 LEU A 80 6.479 -8.153 -16.120 1.00 3.62 H new ATOM 0 HD23 LEU A 80 8.069 -8.758 -15.599 1.00 3.62 H new ATOM 1039 N PRO A 81 8.803 -3.196 -13.693 1.00 3.80 N ATOM 1040 CA PRO A 81 8.424 -2.423 -12.503 1.00 3.74 C ATOM 1041 C PRO A 81 7.022 -2.760 -12.002 1.00 2.98 C ATOM 1042 O PRO A 81 6.086 -2.904 -12.790 1.00 3.21 O ATOM 1043 CB PRO A 81 8.481 -0.966 -12.978 1.00 4.99 C ATOM 1044 CG PRO A 81 9.326 -0.985 -14.204 1.00 5.53 C ATOM 1045 CD PRO A 81 9.094 -2.323 -14.844 1.00 4.94 C ATOM 0 HA PRO A 81 9.085 -2.638 -11.663 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.483 -0.583 -13.194 1.00 4.99 H new ATOM 0 HB3 PRO A 81 8.912 -0.320 -12.213 1.00 4.99 H new ATOM 0 HG2 PRO A 81 9.051 -0.176 -14.880 1.00 5.53 H new ATOM 0 HG3 PRO A 81 10.378 -0.848 -13.955 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.263 -2.294 -15.549 1.00 4.94 H new ATOM 0 HD3 PRO A 81 9.970 -2.663 -15.397 1.00 4.94 H new ATOM 1053 N LEU A 82 6.886 -2.875 -10.683 1.00 2.52 N ATOM 1054 CA LEU A 82 5.602 -3.182 -10.062 1.00 1.87 C ATOM 1055 C LEU A 82 5.722 -3.193 -8.544 1.00 1.58 C ATOM 1056 O LEU A 82 6.804 -3.408 -7.996 1.00 2.06 O ATOM 1057 CB LEU A 82 5.071 -4.536 -10.543 1.00 1.92 C ATOM 1058 CG LEU A 82 6.126 -5.633 -10.688 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.989 -5.723 -9.439 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.466 -6.971 -10.979 1.00 2.10 C ATOM 0 H LEU A 82 7.654 -2.759 -10.022 1.00 2.52 H new ATOM 0 HA LEU A 82 4.900 -2.402 -10.357 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.307 -4.878 -9.844 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.581 -4.395 -11.507 1.00 1.92 H new ATOM 0 HG LEU A 82 6.771 -5.376 -11.528 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.732 -6.510 -9.566 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.494 -4.771 -9.276 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.361 -5.953 -8.578 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.232 -7.740 -11.079 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.795 -7.231 -10.160 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.897 -6.902 -11.906 1.00 2.10 H new ATOM 1066 N LEU A 83 4.603 -2.963 -7.871 1.00 1.15 N ATOM 1067 CA LEU A 83 4.575 -2.950 -6.413 1.00 1.18 C ATOM 1068 C LEU A 83 3.535 -3.933 -5.879 1.00 1.05 C ATOM 1069 O LEU A 83 3.665 -4.441 -4.765 1.00 1.39 O ATOM 1070 CB LEU A 83 4.280 -1.542 -5.895 1.00 1.20 C ATOM 1071 CG LEU A 83 5.413 -0.532 -6.085 1.00 2.03 C ATOM 1072 CD1 LEU A 83 6.647 -0.965 -5.310 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.740 -0.367 -7.562 1.00 2.48 C ATOM 0 H LEU A 83 3.701 -2.782 -8.311 1.00 1.15 H new ATOM 0 HA LEU A 83 5.557 -3.258 -6.055 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.390 -1.165 -6.398 1.00 1.20 H new ATOM 0 HB3 LEU A 83 4.043 -1.604 -4.833 1.00 1.20 H new ATOM 0 HG LEU A 83 5.084 0.432 -5.697 1.00 2.03 H new ATOM 0 HD11 LEU A 83 7.443 -0.235 -5.456 1.00 3.13 H new ATOM 0 HD12 LEU A 83 6.406 -1.031 -4.249 1.00 3.13 H new ATOM 0 HD13 LEU A 83 6.978 -1.940 -5.668 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.548 0.355 -7.677 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.049 -1.327 -7.976 1.00 2.48 H new ATOM 0 HD23 LEU A 83 4.857 -0.011 -8.093 1.00 2.48 H new ATOM 1079 N GLY A 84 2.508 -4.204 -6.681 1.00 0.86 N ATOM 1080 CA GLY A 84 1.470 -5.134 -6.265 1.00 1.17 C ATOM 1081 C GLY A 84 0.230 -4.442 -5.726 1.00 1.02 C ATOM 1082 O GLY A 84 0.037 -3.243 -5.933 1.00 0.95 O ATOM 0 H GLY A 84 2.376 -3.799 -7.608 1.00 0.86 H new ATOM 0 HA2 GLY A 84 1.190 -5.759 -7.113 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.871 -5.797 -5.498 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.614 -5.206 -5.032 1.00 1.00 N ATOM 1087 CA ASP A 85 -1.846 -4.670 -4.458 1.00 0.88 C ATOM 1088 C ASP A 85 -1.870 -4.872 -2.942 1.00 0.82 C ATOM 1089 O ASP A 85 -1.115 -5.683 -2.404 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.063 -5.340 -5.106 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.374 -4.930 -4.457 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.528 -3.733 -4.136 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.244 -5.806 -4.272 1.00 2.17 O ATOM 0 H ASP A 85 -0.466 -6.199 -4.854 1.00 1.00 H new ATOM 0 HA ASP A 85 -1.884 -3.599 -4.659 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.092 -5.085 -6.165 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -2.954 -6.423 -5.042 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.732 -4.122 -2.257 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.837 -4.215 -0.803 1.00 0.69 C ATOM 1100 C LEU A 86 -4.293 -4.264 -0.342 1.00 0.60 C ATOM 1101 O LEU A 86 -5.211 -3.977 -1.110 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.131 -3.021 -0.154 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.865 -3.365 0.635 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.299 -2.502 0.177 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.101 -3.192 2.128 1.00 1.10 C ATOM 0 H LEU A 86 -3.365 -3.446 -2.684 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.356 -5.143 -0.494 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.871 -2.305 -0.934 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.833 -2.523 0.515 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.616 -4.409 0.445 1.00 0.94 H new ATOM 0 HD11 LEU A 86 1.190 -2.760 0.749 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.485 -2.675 -0.883 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.058 -1.451 0.336 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.190 -3.441 2.672 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.376 -2.158 2.335 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.907 -3.853 2.448 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.488 -4.622 0.926 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.821 -4.705 1.514 1.00 0.59 C ATOM 1113 C VAL A 87 -5.762 -4.453 3.020 1.00 0.66 C ATOM 1114 O VAL A 87 -5.759 -5.392 3.815 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.468 -6.079 1.257 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.900 -6.101 1.769 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.420 -6.420 -0.224 1.00 1.15 C ATOM 0 H VAL A 87 -3.733 -4.861 1.569 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.431 -3.937 1.038 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.901 -6.835 1.801 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.340 -7.080 1.578 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.906 -5.903 2.841 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.482 -5.336 1.255 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.881 -7.394 -0.388 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.962 -5.662 -0.790 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.383 -6.449 -0.557 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.695 -3.180 3.403 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.612 -2.809 4.815 1.00 0.66 C ATOM 1123 C ILE A 88 -6.947 -2.297 5.350 1.00 0.74 C ATOM 1124 O ILE A 88 -7.861 -1.995 4.584 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.535 -1.727 5.046 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.312 -1.982 4.160 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.129 -1.685 6.512 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -3.151 -0.968 3.048 1.00 1.94 C ATOM 0 H ILE A 88 -5.696 -2.390 2.758 1.00 0.57 H new ATOM 0 HA ILE A 88 -5.341 -3.716 5.355 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.959 -0.760 4.775 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.416 -1.975 4.780 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.390 -2.978 3.724 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.369 -0.917 6.657 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.001 -1.454 7.124 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.726 -2.654 6.806 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -2.265 -1.210 2.461 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -4.031 -0.991 2.405 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -3.041 0.028 3.477 1.00 1.94 H new ATOM 1132 N CYS A 89 -7.048 -2.198 6.676 1.00 0.79 N ATOM 1133 CA CYS A 89 -8.263 -1.719 7.324 1.00 0.89 C ATOM 1134 C CYS A 89 -8.119 -0.257 7.739 1.00 0.78 C ATOM 1135 O CYS A 89 -7.061 0.167 8.204 1.00 0.73 O ATOM 1136 CB CYS A 89 -8.588 -2.579 8.547 1.00 1.12 C ATOM 1137 SG CYS A 89 -9.218 -4.226 8.146 1.00 1.32 S ATOM 0 H CYS A 89 -6.298 -2.445 7.322 1.00 0.79 H new ATOM 0 HA CYS A 89 -9.081 -1.796 6.607 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.688 -2.684 9.153 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -9.326 -2.059 9.158 1.00 1.12 H new ATOM 0 HG CYS A 89 -9.663 -4.235 6.925 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.192 0.508 7.563 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.197 1.927 7.910 1.00 0.91 C ATOM 1145 C ARG A 90 -9.530 2.151 9.386 1.00 0.81 C ATOM 1146 O ARG A 90 -9.537 3.286 9.857 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.206 2.676 7.039 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.005 4.182 7.025 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.299 4.911 6.697 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.067 5.233 7.898 1.00 3.28 N ATOM 1151 CZ ARG A 90 -11.924 6.359 8.596 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -11.030 7.270 8.230 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -12.675 6.572 9.667 1.00 5.12 N ATOM 0 H ARG A 90 -10.074 0.168 7.180 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.193 2.312 7.729 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -10.140 2.300 6.018 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -11.213 2.456 7.395 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -9.637 4.511 7.997 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -9.243 4.442 6.291 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.070 5.829 6.156 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.905 4.293 6.034 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.755 4.554 8.222 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -10.446 7.111 7.409 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -10.927 8.129 8.770 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -13.361 5.875 9.956 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.567 7.433 10.203 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.835 1.077 10.108 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.196 1.189 11.517 1.00 0.63 C ATOM 1169 C GLN A 91 -8.977 1.119 12.439 1.00 0.58 C ATOM 1170 O GLN A 91 -8.898 1.852 13.424 1.00 0.58 O ATOM 1171 CB GLN A 91 -11.191 0.091 11.895 1.00 0.69 C ATOM 1172 CG GLN A 91 -10.747 -1.302 11.479 1.00 0.83 C ATOM 1173 CD GLN A 91 -11.612 -2.393 12.081 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -11.105 -3.400 12.577 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -12.924 -2.199 12.038 1.00 1.12 N ATOM 0 H GLN A 91 -9.840 0.124 9.743 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.655 2.169 11.652 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.345 0.107 12.974 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -12.154 0.310 11.433 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -10.775 -1.379 10.392 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -9.711 -1.455 11.783 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -13.300 -1.349 11.617 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -13.556 -2.899 12.426 1.00 1.12 H new ATOM 1182 N VAL A 92 -8.044 0.223 12.137 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.857 0.056 12.973 1.00 0.60 C ATOM 1184 C VAL A 92 -5.801 1.133 12.720 1.00 0.55 C ATOM 1185 O VAL A 92 -5.302 1.754 13.662 1.00 0.65 O ATOM 1186 CB VAL A 92 -6.219 -1.335 12.777 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -7.188 -2.430 13.194 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.772 -1.532 11.336 1.00 1.68 C ATOM 0 H VAL A 92 -8.084 -0.395 11.327 1.00 0.58 H new ATOM 0 HA VAL A 92 -7.204 0.155 14.002 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.336 -1.396 13.413 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -6.721 -3.404 13.049 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -7.448 -2.305 14.245 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -8.091 -2.367 12.587 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.326 -2.520 11.225 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.633 -1.446 10.673 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -5.036 -0.771 11.076 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.451 1.349 11.455 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.439 2.344 11.113 1.00 0.49 C ATOM 1194 C VAL A 93 -4.940 3.761 11.373 1.00 0.54 C ATOM 1195 O VAL A 93 -4.241 4.573 11.982 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.968 2.204 9.648 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.683 0.747 9.322 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.990 2.778 8.676 1.00 0.69 C ATOM 0 H VAL A 93 -5.849 0.854 10.657 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.583 2.157 11.762 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.048 2.777 9.537 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.352 0.664 8.287 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.902 0.372 9.984 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.590 0.159 9.461 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.626 2.663 7.655 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.935 2.247 8.786 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.141 3.836 8.890 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.157 4.054 10.924 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.738 5.374 11.131 1.00 0.69 C ATOM 1204 C GLU A 94 -6.880 5.655 12.620 1.00 0.67 C ATOM 1205 O GLU A 94 -6.731 6.793 13.067 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.103 5.479 10.448 1.00 0.78 C ATOM 1207 CG GLU A 94 -8.547 6.910 10.196 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.653 7.353 11.134 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -10.640 6.601 11.285 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -9.532 8.449 11.719 1.00 2.25 O ATOM 0 H GLU A 94 -6.755 3.400 10.419 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.072 6.115 10.688 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.067 4.946 9.498 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.849 4.979 11.066 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -7.692 7.577 10.309 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.891 7.003 9.166 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.152 4.603 13.387 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.297 4.734 14.831 1.00 0.61 C ATOM 1219 C ARG A 95 -5.934 4.954 15.473 1.00 0.70 C ATOM 1220 O ARG A 95 -5.771 5.825 16.328 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.963 3.489 15.420 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.104 3.531 16.934 1.00 0.87 C ATOM 1223 CD ARG A 95 -7.268 2.452 17.605 1.00 1.58 C ATOM 1224 NE ARG A 95 -7.716 1.109 17.245 1.00 2.18 N ATOM 1225 CZ ARG A 95 -7.431 0.018 17.951 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -6.698 0.106 19.054 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -7.879 -1.164 17.553 1.00 3.75 N ATOM 0 H ARG A 95 -7.276 3.654 13.033 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.932 5.595 15.040 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.951 3.371 14.975 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.381 2.610 15.142 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -7.798 4.510 17.301 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -9.152 3.402 17.206 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -6.223 2.574 17.320 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -7.320 2.574 18.687 1.00 1.58 H new ATOM 0 HE ARG A 95 -8.281 1.001 16.402 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -6.350 1.013 19.364 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -6.483 -0.734 19.591 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -8.442 -1.237 16.706 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -7.661 -2.001 18.094 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.951 4.167 15.042 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.597 4.290 15.564 1.00 0.86 C ATOM 1243 C GLU A 96 -3.035 5.673 15.249 1.00 0.90 C ATOM 1244 O GLU A 96 -2.441 6.327 16.108 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.695 3.206 14.969 1.00 0.93 C ATOM 1246 CG GLU A 96 -2.286 2.139 15.972 1.00 1.34 C ATOM 1247 CD GLU A 96 -3.477 1.475 16.634 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -4.217 0.751 15.936 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -3.670 1.679 17.852 1.00 2.50 O ATOM 0 H GLU A 96 -5.068 3.441 14.335 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.629 4.161 16.646 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.213 2.731 14.136 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.798 3.674 14.562 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -1.687 1.382 15.467 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.653 2.588 16.737 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.240 6.117 14.012 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.765 7.424 13.581 1.00 0.92 C ATOM 1258 C ALA A 97 -3.567 8.537 14.247 1.00 1.00 C ATOM 1259 O ALA A 97 -3.002 9.509 14.748 1.00 1.19 O ATOM 1260 CB ALA A 97 -2.849 7.546 12.067 1.00 0.87 C ATOM 0 H ALA A 97 -3.732 5.589 13.292 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.722 7.525 13.883 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.490 8.529 11.761 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.233 6.775 11.605 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -3.884 7.422 11.749 1.00 0.87 H new ATOM 1266 N SER A 98 -4.888 8.384 14.254 1.00 0.92 N ATOM 1267 CA SER A 98 -5.768 9.372 14.864 1.00 1.01 C ATOM 1268 C SER A 98 -5.460 9.523 16.349 1.00 1.07 C ATOM 1269 O SER A 98 -5.438 10.634 16.880 1.00 1.18 O ATOM 1270 CB SER A 98 -7.233 8.974 14.671 1.00 0.99 C ATOM 1271 OG SER A 98 -8.103 9.965 15.188 1.00 1.50 O ATOM 0 H SER A 98 -5.371 7.585 13.844 1.00 0.92 H new ATOM 0 HA SER A 98 -5.595 10.330 14.374 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.436 8.825 13.610 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.423 8.023 15.169 1.00 0.99 H new ATOM 0 HG SER A 98 -9.033 9.688 15.051 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.216 8.397 17.012 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.901 8.404 18.435 1.00 1.13 C ATOM 1279 C GLU A 99 -3.463 8.857 18.666 1.00 1.27 C ATOM 1280 O GLU A 99 -3.152 9.480 19.681 1.00 1.45 O ATOM 1281 CB GLU A 99 -5.112 7.012 19.035 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.968 6.972 20.547 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.459 5.669 21.145 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -6.244 4.965 20.474 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -5.059 5.350 22.285 1.00 2.88 O ATOM 0 H GLU A 99 -5.230 7.470 16.587 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.572 9.107 18.928 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -6.106 6.656 18.764 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.394 6.322 18.592 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.921 7.118 20.812 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.526 7.801 20.983 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.591 8.542 17.712 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.185 8.920 17.807 1.00 1.37 C ATOM 1294 C GLN A 100 -1.004 10.425 17.616 1.00 1.48 C ATOM 1295 O GLN A 100 0.035 10.983 17.970 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.362 8.161 16.765 1.00 1.33 C ATOM 1297 CG GLN A 100 0.121 6.802 17.243 1.00 1.96 C ATOM 1298 CD GLN A 100 1.391 6.893 18.065 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.493 6.705 17.550 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.243 7.182 19.353 1.00 2.35 N ATOM 0 H GLN A 100 -2.833 8.027 16.866 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.833 8.657 18.805 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.964 8.028 15.866 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.500 8.766 16.485 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -0.661 6.331 17.839 1.00 1.96 H new ATOM 0 HG3 GLN A 100 0.296 6.158 16.381 1.00 1.96 H new ATOM 0 HE21 GLN A 100 0.310 7.330 19.739 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.062 7.256 19.957 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.018 11.078 17.052 1.00 1.44 N ATOM 1308 CA GLU A 101 -1.967 12.518 16.814 1.00 1.59 C ATOM 1309 C GLU A 101 -0.938 12.854 15.739 1.00 1.58 C ATOM 1310 O GLU A 101 -0.233 13.857 15.832 1.00 1.81 O ATOM 1311 CB GLU A 101 -1.635 13.266 18.108 1.00 1.80 C ATOM 1312 CG GLU A 101 -2.388 14.578 18.263 1.00 2.02 C ATOM 1313 CD GLU A 101 -1.463 15.779 18.331 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -1.027 16.254 17.262 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -1.174 16.243 19.454 1.00 2.68 O ATOM 0 H GLU A 101 -2.885 10.632 16.751 1.00 1.44 H new ATOM 0 HA GLU A 101 -2.950 12.836 16.466 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.863 12.623 18.958 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -0.564 13.466 18.138 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -3.074 14.700 17.425 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.994 14.540 19.168 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.862 12.006 14.717 1.00 1.36 N ATOM 1323 CA LYS A 102 0.078 12.213 13.622 1.00 1.36 C ATOM 1324 C LYS A 102 -0.662 12.429 12.303 1.00 1.24 C ATOM 1325 O LYS A 102 -1.834 12.072 12.174 1.00 1.16 O ATOM 1326 CB LYS A 102 1.024 11.014 13.501 1.00 1.37 C ATOM 1327 CG LYS A 102 2.413 11.277 14.063 1.00 1.77 C ATOM 1328 CD LYS A 102 2.702 10.412 15.282 1.00 2.28 C ATOM 1329 CE LYS A 102 2.822 11.248 16.546 1.00 2.19 C ATOM 1330 NZ LYS A 102 4.243 11.455 16.943 1.00 2.36 N ATOM 0 H LYS A 102 -1.440 11.170 14.625 1.00 1.36 H new ATOM 0 HA LYS A 102 0.662 13.107 13.840 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.586 10.162 14.021 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.112 10.736 12.451 1.00 1.37 H new ATOM 0 HG2 LYS A 102 3.160 11.082 13.293 1.00 1.77 H new ATOM 0 HG3 LYS A 102 2.502 12.329 14.334 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.906 9.678 15.405 1.00 2.28 H new ATOM 0 HD3 LYS A 102 3.626 9.856 15.124 1.00 2.28 H new ATOM 0 HE2 LYS A 102 2.345 12.215 16.388 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.286 10.757 17.358 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 4.281 12.030 17.809 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.692 10.534 17.119 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 4.749 11.947 16.179 1.00 2.36 H new ATOM 1344 N PRO A 103 0.015 13.018 11.303 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.585 13.280 9.991 1.00 1.21 C ATOM 1346 C PRO A 103 -0.826 11.999 9.199 1.00 1.01 C ATOM 1347 O PRO A 103 0.097 11.221 8.963 1.00 0.97 O ATOM 1348 CB PRO A 103 0.459 14.153 9.291 1.00 1.28 C ATOM 1349 CG PRO A 103 1.749 13.797 9.942 1.00 1.36 C ATOM 1350 CD PRO A 103 1.416 13.474 11.373 1.00 1.42 C ATOM 0 HA PRO A 103 -1.565 13.750 10.077 1.00 1.21 H new ATOM 0 HB2 PRO A 103 0.488 13.953 8.220 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.234 15.213 9.412 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.213 12.944 9.447 1.00 1.36 H new ATOM 0 HG3 PRO A 103 2.457 14.624 9.883 1.00 1.36 H new ATOM 0 HD2 PRO A 103 2.071 12.700 11.773 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.523 14.347 12.017 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.074 11.788 8.793 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.437 10.601 8.027 1.00 0.93 C ATOM 1360 C LEU A 104 -1.655 10.529 6.719 1.00 0.85 C ATOM 1361 O LEU A 104 -1.491 9.453 6.142 1.00 0.78 O ATOM 1362 CB LEU A 104 -3.940 10.593 7.739 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.796 9.884 8.791 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.275 10.076 8.494 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.451 8.403 8.850 1.00 1.51 C ATOM 0 H LEU A 104 -2.850 12.423 8.981 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.183 9.726 8.625 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.283 11.624 7.648 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.107 10.115 6.774 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.581 10.326 9.764 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.868 9.565 9.253 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.513 11.140 8.503 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.506 9.661 7.513 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.069 7.915 9.603 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.637 7.947 7.877 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.399 8.285 9.111 1.00 1.51 H new ATOM 1371 N MET A 105 -1.171 11.679 6.254 1.00 0.98 N ATOM 1372 CA MET A 105 -0.405 11.742 5.013 1.00 0.99 C ATOM 1373 C MET A 105 0.760 10.756 5.039 1.00 0.76 C ATOM 1374 O MET A 105 0.878 9.898 4.165 1.00 0.81 O ATOM 1375 CB MET A 105 0.118 13.162 4.785 1.00 1.22 C ATOM 1376 CG MET A 105 -0.974 14.220 4.787 1.00 1.08 C ATOM 1377 SD MET A 105 -2.224 13.928 3.522 1.00 1.56 S ATOM 1378 CE MET A 105 -3.251 12.709 4.337 1.00 1.27 C ATOM 0 H MET A 105 -1.296 12.579 6.718 1.00 0.98 H new ATOM 0 HA MET A 105 -1.068 11.469 4.192 1.00 0.99 H new ATOM 0 HB2 MET A 105 0.846 13.401 5.561 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.645 13.197 3.832 1.00 1.22 H new ATOM 0 HG2 MET A 105 -1.452 14.242 5.766 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.525 15.201 4.629 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.249 12.723 3.899 1.00 1.27 H new ATOM 0 HE2 MET A 105 -2.812 11.719 4.209 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.318 12.942 5.400 1.00 1.27 H new ATOM 1388 N ALA A 106 1.613 10.886 6.048 1.00 0.70 N ATOM 1389 CA ALA A 106 2.766 10.004 6.189 1.00 0.63 C ATOM 1390 C ALA A 106 2.339 8.620 6.668 1.00 0.54 C ATOM 1391 O ALA A 106 2.944 7.611 6.303 1.00 0.61 O ATOM 1392 CB ALA A 106 3.778 10.609 7.152 1.00 0.84 C ATOM 0 H ALA A 106 1.529 11.592 6.779 1.00 0.70 H new ATOM 0 HA ALA A 106 3.233 9.895 5.210 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.634 9.940 7.248 1.00 0.84 H new ATOM 0 HB2 ALA A 106 4.112 11.574 6.770 1.00 0.84 H new ATOM 0 HB3 ALA A 106 3.314 10.747 8.129 1.00 0.84 H new ATOM 1398 N HIS A 107 1.291 8.583 7.486 1.00 0.53 N ATOM 1399 CA HIS A 107 0.778 7.326 8.017 1.00 0.60 C ATOM 1400 C HIS A 107 0.376 6.384 6.888 1.00 0.55 C ATOM 1401 O HIS A 107 0.787 5.226 6.858 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.418 7.582 8.934 1.00 0.70 C ATOM 1403 CG HIS A 107 -0.750 6.423 9.822 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -0.147 6.214 11.045 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.625 5.404 9.657 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -0.637 5.116 11.594 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.536 4.607 10.773 1.00 2.34 N ATOM 0 H HIS A 107 0.781 9.410 7.795 1.00 0.53 H new ATOM 0 HA HIS A 107 1.573 6.855 8.595 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.211 8.455 9.552 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.288 7.823 8.324 1.00 0.70 H new ATOM 0 HD1 HIS A 107 0.566 6.813 11.461 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.272 5.246 8.807 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -0.351 4.706 12.551 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.427 6.891 5.957 1.00 0.47 N ATOM 1417 CA TRP A 108 -0.875 6.093 4.825 1.00 0.46 C ATOM 1418 C TRP A 108 0.312 5.695 3.954 1.00 0.43 C ATOM 1419 O TRP A 108 0.443 4.536 3.554 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.897 6.872 3.995 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.313 6.639 4.426 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.832 6.834 5.673 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.391 6.166 3.610 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.168 6.511 5.683 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.534 6.098 4.428 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.501 5.794 2.268 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.770 5.674 3.948 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.728 5.373 1.791 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.848 5.316 2.630 1.00 2.00 C ATOM 0 H TRP A 108 -0.779 7.848 5.966 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.349 5.189 5.206 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.674 7.937 4.064 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.793 6.591 2.947 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.275 7.190 6.527 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.786 6.569 6.492 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.642 5.835 1.615 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.636 5.629 4.592 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.825 5.083 0.755 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.793 4.982 2.228 1.00 2.00 H new ATOM 1440 N ALA A 109 1.181 6.664 3.675 1.00 0.47 N ATOM 1441 CA ALA A 109 2.365 6.420 2.861 1.00 0.51 C ATOM 1442 C ALA A 109 3.221 5.317 3.470 1.00 0.49 C ATOM 1443 O ALA A 109 3.748 4.461 2.760 1.00 0.64 O ATOM 1444 CB ALA A 109 3.176 7.699 2.714 1.00 0.62 C ATOM 0 H ALA A 109 1.086 7.625 4.002 1.00 0.47 H new ATOM 0 HA ALA A 109 2.041 6.094 1.873 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.058 7.503 2.104 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.565 8.464 2.234 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.487 8.048 3.699 1.00 0.62 H new ATOM 1450 N HIS A 110 3.350 5.339 4.792 1.00 0.44 N ATOM 1451 CA HIS A 110 4.135 4.334 5.496 1.00 0.53 C ATOM 1452 C HIS A 110 3.341 3.042 5.643 1.00 0.60 C ATOM 1453 O HIS A 110 3.879 1.948 5.475 1.00 0.86 O ATOM 1454 CB HIS A 110 4.555 4.852 6.873 1.00 0.57 C ATOM 1455 CG HIS A 110 5.598 4.006 7.536 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.839 4.033 8.894 1.00 1.58 N ATOM 1457 CD2 HIS A 110 6.465 3.104 7.019 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.810 3.184 9.182 1.00 1.93 C ATOM 1459 NE2 HIS A 110 7.206 2.607 8.063 1.00 2.16 N ATOM 0 H HIS A 110 2.922 6.041 5.396 1.00 0.44 H new ATOM 0 HA HIS A 110 5.031 4.128 4.911 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.935 5.869 6.770 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.677 4.903 7.517 1.00 0.57 H new ATOM 0 HD2 HIS A 110 6.557 2.827 5.979 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.212 2.994 10.166 1.00 1.93 H new ATOM 0 HE2 HIS A 110 7.943 1.906 7.986 1.00 2.16 H new ATOM 1468 N MET A 111 2.057 3.179 5.955 1.00 0.50 N ATOM 1469 CA MET A 111 1.182 2.026 6.124 1.00 0.59 C ATOM 1470 C MET A 111 1.149 1.175 4.858 1.00 0.59 C ATOM 1471 O MET A 111 1.337 -0.040 4.911 1.00 0.78 O ATOM 1472 CB MET A 111 -0.233 2.483 6.482 1.00 0.63 C ATOM 1473 CG MET A 111 -0.502 2.517 7.978 1.00 1.24 C ATOM 1474 SD MET A 111 -0.330 0.896 8.748 1.00 2.04 S ATOM 1475 CE MET A 111 -1.300 -0.113 7.631 1.00 1.59 C ATOM 0 H MET A 111 1.599 4.079 6.096 1.00 0.50 H new ATOM 0 HA MET A 111 1.578 1.418 6.937 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.400 3.478 6.069 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.952 1.816 6.007 1.00 0.63 H new ATOM 0 HG2 MET A 111 0.187 3.216 8.452 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.509 2.894 8.154 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.737 -0.947 8.181 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.095 0.490 7.193 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.658 -0.498 6.838 1.00 1.59 H new ATOM 1485 N VAL A 112 0.908 1.821 3.721 1.00 0.51 N ATOM 1486 CA VAL A 112 0.849 1.118 2.444 1.00 0.58 C ATOM 1487 C VAL A 112 2.146 0.361 2.165 1.00 0.64 C ATOM 1488 O VAL A 112 2.125 -0.824 1.832 1.00 0.78 O ATOM 1489 CB VAL A 112 0.567 2.085 1.276 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.852 2.627 1.360 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.576 3.221 1.262 1.00 1.42 C ATOM 0 H VAL A 112 0.751 2.827 3.658 1.00 0.51 H new ATOM 0 HA VAL A 112 0.028 0.405 2.519 1.00 0.58 H new ATOM 0 HB VAL A 112 0.667 1.531 0.343 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -1.032 3.307 0.527 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.561 1.800 1.312 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.982 3.162 2.300 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.358 3.891 0.430 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.514 3.774 2.199 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.581 2.814 1.147 1.00 1.42 H new ATOM 1495 N VAL A 113 3.275 1.050 2.305 1.00 0.61 N ATOM 1496 CA VAL A 113 4.575 0.436 2.065 1.00 0.72 C ATOM 1497 C VAL A 113 4.865 -0.661 3.087 1.00 0.82 C ATOM 1498 O VAL A 113 5.501 -1.665 2.766 1.00 1.03 O ATOM 1499 CB VAL A 113 5.709 1.482 2.099 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.063 0.822 1.885 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.465 2.560 1.054 1.00 0.63 C ATOM 0 H VAL A 113 3.315 2.031 2.583 1.00 0.61 H new ATOM 0 HA VAL A 113 4.537 -0.007 1.070 1.00 0.72 H new ATOM 0 HB VAL A 113 5.715 1.949 3.084 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.846 1.580 1.913 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.239 0.089 2.672 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.076 0.323 0.916 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.273 3.291 1.090 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.430 2.106 0.064 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.517 3.057 1.259 1.00 0.63 H new ATOM 1505 N HIS A 114 4.397 -0.465 4.315 1.00 0.75 N ATOM 1506 CA HIS A 114 4.612 -1.446 5.373 1.00 0.85 C ATOM 1507 C HIS A 114 4.011 -2.796 4.984 1.00 0.96 C ATOM 1508 O HIS A 114 4.692 -3.821 5.008 1.00 1.08 O ATOM 1509 CB HIS A 114 4.020 -0.935 6.700 1.00 0.89 C ATOM 1510 CG HIS A 114 2.926 -1.789 7.272 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.618 -1.364 7.385 1.00 1.39 N ATOM 1512 CD2 HIS A 114 2.952 -3.051 7.767 1.00 1.57 C ATOM 1513 CE1 HIS A 114 0.889 -2.324 7.924 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.674 -3.358 8.164 1.00 1.36 N ATOM 0 H HIS A 114 3.869 0.359 4.602 1.00 0.75 H new ATOM 0 HA HIS A 114 5.684 -1.586 5.510 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.822 -0.858 7.434 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.632 0.072 6.545 1.00 0.89 H new ATOM 0 HD2 HIS A 114 3.817 -3.695 7.836 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.169 -2.272 8.133 1.00 1.30 H new ATOM 0 HE2 HIS A 114 1.379 -4.242 8.578 1.00 1.36 H new ATOM 1523 N GLY A 115 2.734 -2.781 4.622 1.00 1.03 N ATOM 1524 CA GLY A 115 2.059 -4.002 4.228 1.00 1.18 C ATOM 1525 C GLY A 115 2.367 -4.405 2.797 1.00 1.20 C ATOM 1526 O GLY A 115 2.123 -5.544 2.401 1.00 1.36 O ATOM 0 H GLY A 115 2.153 -1.943 4.594 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.353 -4.808 4.900 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.983 -3.870 4.341 1.00 1.18 H new ATOM 1530 N SER A 116 2.902 -3.468 2.017 1.00 1.17 N ATOM 1531 CA SER A 116 3.238 -3.739 0.624 1.00 1.26 C ATOM 1532 C SER A 116 4.452 -4.657 0.519 1.00 1.36 C ATOM 1533 O SER A 116 4.413 -5.675 -0.170 1.00 1.63 O ATOM 1534 CB SER A 116 3.516 -2.432 -0.120 1.00 1.31 C ATOM 1535 OG SER A 116 3.854 -2.679 -1.474 1.00 1.72 O ATOM 0 H SER A 116 3.111 -2.519 2.326 1.00 1.17 H new ATOM 0 HA SER A 116 2.385 -4.240 0.167 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.637 -1.789 -0.073 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.330 -1.897 0.370 1.00 1.31 H new ATOM 0 HG SER A 116 4.791 -2.436 -1.627 1.00 1.72 H new ATOM 1541 N LEU A 117 5.532 -4.282 1.195 1.00 1.28 N ATOM 1542 CA LEU A 117 6.764 -5.063 1.166 1.00 1.49 C ATOM 1543 C LEU A 117 6.706 -6.246 2.129 1.00 1.69 C ATOM 1544 O LEU A 117 6.815 -7.400 1.718 1.00 1.94 O ATOM 1545 CB LEU A 117 7.956 -4.171 1.518 1.00 1.49 C ATOM 1546 CG LEU A 117 9.331 -4.771 1.219 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.408 -3.704 1.318 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.631 -5.921 2.170 1.00 2.38 C ATOM 0 H LEU A 117 5.580 -3.441 1.770 1.00 1.28 H new ATOM 0 HA LEU A 117 6.882 -5.457 0.156 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.861 -3.233 0.972 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.907 -3.928 2.580 1.00 1.49 H new ATOM 0 HG LEU A 117 9.323 -5.161 0.201 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.380 -4.147 1.102 1.00 2.07 H new ATOM 0 HD12 LEU A 117 10.203 -2.912 0.598 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.415 -3.286 2.325 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.613 -6.335 1.942 1.00 2.38 H new ATOM 0 HD22 LEU A 117 9.621 -5.556 3.197 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.874 -6.697 2.053 1.00 2.38 H new ATOM 1554 N HIS A 118 6.555 -5.949 3.413 1.00 1.70 N ATOM 1555 CA HIS A 118 6.505 -6.982 4.443 1.00 2.04 C ATOM 1556 C HIS A 118 5.550 -8.118 4.075 1.00 2.25 C ATOM 1557 O HIS A 118 5.706 -9.242 4.554 1.00 2.60 O ATOM 1558 CB HIS A 118 6.086 -6.368 5.779 1.00 2.10 C ATOM 1559 CG HIS A 118 6.667 -7.067 6.969 1.00 2.30 C ATOM 1560 ND1 HIS A 118 7.938 -7.602 6.983 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.142 -7.315 8.193 1.00 2.93 C ATOM 1562 CE1 HIS A 118 8.169 -8.150 8.163 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.096 -7.989 8.915 1.00 3.28 N ATOM 0 H HIS A 118 6.465 -4.997 3.769 1.00 1.70 H new ATOM 0 HA HIS A 118 7.506 -7.406 4.527 1.00 2.04 H new ATOM 0 HB2 HIS A 118 6.389 -5.321 5.799 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.999 -6.386 5.853 1.00 2.10 H new ATOM 0 HD2 HIS A 118 5.157 -7.035 8.537 1.00 2.93 H new ATOM 0 HE1 HIS A 118 9.081 -8.646 8.462 1.00 3.13 H new ATOM 0 HE2 HIS A 118 6.992 -8.313 9.877 1.00 3.28 H new ATOM 1572 N LEU A 119 4.552 -7.823 3.249 1.00 2.15 N ATOM 1573 CA LEU A 119 3.573 -8.833 2.860 1.00 2.45 C ATOM 1574 C LEU A 119 3.860 -9.449 1.489 1.00 2.53 C ATOM 1575 O LEU A 119 3.341 -10.521 1.178 1.00 2.98 O ATOM 1576 CB LEU A 119 2.165 -8.237 2.869 1.00 2.52 C ATOM 1577 CG LEU A 119 1.047 -9.235 3.181 1.00 2.47 C ATOM 1578 CD1 LEU A 119 -0.083 -8.551 3.932 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.532 -9.879 1.902 1.00 2.27 C ATOM 0 H LEU A 119 4.400 -6.902 2.839 1.00 2.15 H new ATOM 0 HA LEU A 119 3.647 -9.634 3.595 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.131 -7.433 3.604 1.00 2.52 H new ATOM 0 HB3 LEU A 119 1.970 -7.787 1.896 1.00 2.52 H new ATOM 0 HG LEU A 119 1.454 -10.021 3.818 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.869 -9.275 4.145 1.00 3.30 H new ATOM 0 HD12 LEU A 119 0.297 -8.142 4.868 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.489 -7.744 3.322 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.262 -10.585 2.144 1.00 2.27 H new ATOM 0 HD22 LEU A 119 0.142 -9.108 1.238 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.347 -10.406 1.406 1.00 2.27 H new ATOM 1585 N LEU A 120 4.660 -8.782 0.658 1.00 2.25 N ATOM 1586 CA LEU A 120 4.949 -9.317 -0.673 1.00 2.47 C ATOM 1587 C LEU A 120 6.435 -9.247 -1.030 1.00 2.57 C ATOM 1588 O LEU A 120 6.975 -10.181 -1.622 1.00 3.07 O ATOM 1589 CB LEU A 120 4.105 -8.592 -1.733 1.00 2.62 C ATOM 1590 CG LEU A 120 4.745 -7.355 -2.374 1.00 2.70 C ATOM 1591 CD1 LEU A 120 5.533 -7.744 -3.615 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.679 -6.327 -2.719 1.00 2.88 C ATOM 0 H LEU A 120 5.110 -7.892 0.874 1.00 2.25 H new ATOM 0 HA LEU A 120 4.680 -10.373 -0.657 1.00 2.47 H new ATOM 0 HB2 LEU A 120 3.863 -9.302 -2.524 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.162 -8.292 -1.275 1.00 2.62 H new ATOM 0 HG LEU A 120 5.435 -6.911 -1.656 1.00 2.70 H new ATOM 0 HD11 LEU A 120 5.980 -6.853 -4.056 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.320 -8.447 -3.341 1.00 3.20 H new ATOM 0 HD13 LEU A 120 4.865 -8.211 -4.339 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.148 -5.454 -3.173 1.00 2.88 H new ATOM 0 HD22 LEU A 120 2.967 -6.762 -3.420 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.156 -6.026 -1.811 1.00 2.88 H new ATOM 1598 N GLY A 121 7.090 -8.142 -0.693 1.00 2.56 N ATOM 1599 CA GLY A 121 8.498 -8.005 -1.020 1.00 3.27 C ATOM 1600 C GLY A 121 8.706 -7.778 -2.505 1.00 3.49 C ATOM 1601 O GLY A 121 9.202 -8.654 -3.213 1.00 4.12 O ATOM 0 H GLY A 121 6.678 -7.347 -0.205 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.923 -7.171 -0.461 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.033 -8.902 -0.710 1.00 3.27 H new ATOM 1605 N TYR A 122 8.302 -6.603 -2.979 1.00 3.41 N ATOM 1606 CA TYR A 122 8.416 -6.254 -4.398 1.00 4.05 C ATOM 1607 C TYR A 122 9.869 -6.157 -4.881 1.00 4.04 C ATOM 1608 O TYR A 122 10.129 -5.597 -5.945 1.00 4.29 O ATOM 1609 CB TYR A 122 7.668 -4.949 -4.716 1.00 4.92 C ATOM 1610 CG TYR A 122 7.654 -3.924 -3.597 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.709 -3.988 -2.580 1.00 5.29 C ATOM 1612 CD2 TYR A 122 8.577 -2.887 -3.569 1.00 5.07 C ATOM 1613 CE1 TYR A 122 6.688 -3.050 -1.565 1.00 5.72 C ATOM 1614 CE2 TYR A 122 8.563 -1.947 -2.555 1.00 5.49 C ATOM 1615 CZ TYR A 122 7.617 -2.033 -1.558 1.00 5.83 C ATOM 1616 OH TYR A 122 7.599 -1.097 -0.548 1.00 6.50 O ATOM 0 H TYR A 122 7.890 -5.871 -2.400 1.00 3.41 H new ATOM 0 HA TYR A 122 7.950 -7.075 -4.942 1.00 4.05 H new ATOM 0 HB2 TYR A 122 8.121 -4.495 -5.598 1.00 4.92 H new ATOM 0 HB3 TYR A 122 6.638 -5.193 -4.976 1.00 4.92 H new ATOM 0 HD1 TYR A 122 5.979 -4.784 -2.583 1.00 5.29 H new ATOM 0 HD2 TYR A 122 9.318 -2.813 -4.352 1.00 5.07 H new ATOM 0 HE1 TYR A 122 5.947 -3.114 -0.782 1.00 5.72 H new ATOM 0 HE2 TYR A 122 9.291 -1.149 -2.545 1.00 5.49 H new ATOM 0 HH TYR A 122 8.320 -0.449 -0.690 1.00 6.50 H new ATOM 1626 N ASP A 123 10.812 -6.709 -4.117 1.00 4.20 N ATOM 1627 CA ASP A 123 12.225 -6.684 -4.501 1.00 4.65 C ATOM 1628 C ASP A 123 12.541 -7.805 -5.499 1.00 4.02 C ATOM 1629 O ASP A 123 13.560 -8.483 -5.379 1.00 4.67 O ATOM 1630 CB ASP A 123 13.118 -6.823 -3.265 1.00 5.43 C ATOM 1631 CG ASP A 123 12.700 -7.975 -2.372 1.00 6.23 C ATOM 1632 OD1 ASP A 123 11.743 -7.804 -1.590 1.00 6.82 O ATOM 1633 OD2 ASP A 123 13.332 -9.050 -2.455 1.00 6.57 O ATOM 0 H ASP A 123 10.625 -7.178 -3.231 1.00 4.20 H new ATOM 0 HA ASP A 123 12.426 -5.725 -4.980 1.00 4.65 H new ATOM 0 HB2 ASP A 123 14.151 -6.969 -3.582 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.088 -5.895 -2.693 1.00 5.43 H new ATOM 1638 N HIS A 124 11.644 -7.996 -6.470 1.00 2.97 N ATOM 1639 CA HIS A 124 11.784 -9.036 -7.496 1.00 2.45 C ATOM 1640 C HIS A 124 13.248 -9.300 -7.879 1.00 2.10 C ATOM 1641 O HIS A 124 13.930 -10.087 -7.223 1.00 2.45 O ATOM 1642 CB HIS A 124 10.976 -8.651 -8.738 1.00 2.23 C ATOM 1643 CG HIS A 124 9.492 -8.690 -8.528 1.00 2.36 C ATOM 1644 ND1 HIS A 124 8.658 -9.549 -9.212 1.00 2.46 N ATOM 1645 CD2 HIS A 124 8.692 -7.967 -7.708 1.00 2.98 C ATOM 1646 CE1 HIS A 124 7.410 -9.351 -8.823 1.00 2.83 C ATOM 1647 NE2 HIS A 124 7.403 -8.397 -7.910 1.00 3.06 N ATOM 0 H HIS A 124 10.799 -7.434 -6.568 1.00 2.97 H new ATOM 0 HA HIS A 124 11.396 -9.962 -7.071 1.00 2.45 H new ATOM 0 HB2 HIS A 124 11.263 -7.647 -9.051 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.236 -9.326 -9.553 1.00 2.23 H new ATOM 0 HD2 HIS A 124 9.009 -7.195 -7.022 1.00 2.98 H new ATOM 0 HE1 HIS A 124 6.543 -9.880 -9.190 1.00 2.83 H new ATOM 0 HE2 HIS A 124 6.576 -8.038 -7.433 1.00 3.06 H new ATOM 1656 N ILE A 125 13.723 -8.655 -8.948 1.00 1.91 N ATOM 1657 CA ILE A 125 15.098 -8.848 -9.404 1.00 2.11 C ATOM 1658 C ILE A 125 16.092 -8.567 -8.282 1.00 2.10 C ATOM 1659 O ILE A 125 15.750 -7.938 -7.279 1.00 1.90 O ATOM 1660 CB ILE A 125 15.428 -7.955 -10.616 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.314 -8.040 -11.666 1.00 2.52 C ATOM 1662 CG2 ILE A 125 16.763 -8.359 -11.225 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.797 -6.690 -12.110 1.00 3.27 C ATOM 0 H ILE A 125 13.179 -8.000 -9.509 1.00 1.91 H new ATOM 0 HA ILE A 125 15.185 -9.891 -9.708 1.00 2.11 H new ATOM 0 HB ILE A 125 15.501 -6.923 -10.274 1.00 2.32 H new ATOM 0 HG12 ILE A 125 14.686 -8.581 -12.536 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.486 -8.621 -11.259 1.00 2.52 H new ATOM 0 HG21 ILE A 125 16.982 -7.719 -12.080 1.00 2.86 H new ATOM 0 HG22 ILE A 125 17.551 -8.250 -10.479 1.00 2.86 H new ATOM 0 HG23 ILE A 125 16.714 -9.397 -11.553 1.00 2.86 H new ATOM 0 HD11 ILE A 125 13.011 -6.828 -12.853 1.00 3.27 H new ATOM 0 HD12 ILE A 125 13.394 -6.154 -11.251 1.00 3.27 H new ATOM 0 HD13 ILE A 125 14.613 -6.114 -12.547 1.00 3.27 H new ATOM 1667 N GLU A 126 17.317 -9.054 -8.446 1.00 2.54 N ATOM 1668 CA GLU A 126 18.353 -8.875 -7.435 1.00 2.75 C ATOM 1669 C GLU A 126 18.989 -7.486 -7.494 1.00 2.70 C ATOM 1670 O GLU A 126 18.848 -6.695 -6.564 1.00 2.83 O ATOM 1671 CB GLU A 126 19.435 -9.943 -7.600 1.00 3.67 C ATOM 1672 CG GLU A 126 20.197 -10.241 -6.319 1.00 4.39 C ATOM 1673 CD GLU A 126 20.005 -11.668 -5.844 1.00 5.41 C ATOM 1674 OE1 GLU A 126 20.122 -12.591 -6.676 1.00 6.01 O ATOM 1675 OE2 GLU A 126 19.740 -11.862 -4.638 1.00 5.87 O ATOM 0 H GLU A 126 17.617 -9.576 -9.269 1.00 2.54 H new ATOM 0 HA GLU A 126 17.874 -8.976 -6.461 1.00 2.75 H new ATOM 0 HB2 GLU A 126 18.974 -10.862 -7.961 1.00 3.67 H new ATOM 0 HB3 GLU A 126 20.140 -9.618 -8.365 1.00 3.67 H new ATOM 0 HG2 GLU A 126 21.259 -10.056 -6.481 1.00 4.39 H new ATOM 0 HG3 GLU A 126 19.869 -9.555 -5.538 1.00 4.39 H new ATOM 1682 N ASP A 127 19.716 -7.208 -8.570 1.00 2.79 N ATOM 1683 CA ASP A 127 20.401 -5.924 -8.718 1.00 3.14 C ATOM 1684 C ASP A 127 19.533 -4.859 -9.390 1.00 2.88 C ATOM 1685 O ASP A 127 19.883 -3.678 -9.379 1.00 3.08 O ATOM 1686 CB ASP A 127 21.691 -6.112 -9.517 1.00 3.66 C ATOM 1687 CG ASP A 127 22.873 -6.456 -8.633 1.00 4.67 C ATOM 1688 OD1 ASP A 127 22.657 -7.053 -7.558 1.00 5.29 O ATOM 1689 OD2 ASP A 127 24.016 -6.128 -9.015 1.00 5.15 O ATOM 0 H ASP A 127 19.848 -7.850 -9.352 1.00 2.79 H new ATOM 0 HA ASP A 127 20.625 -5.568 -7.712 1.00 3.14 H new ATOM 0 HB2 ASP A 127 21.548 -6.904 -10.252 1.00 3.66 H new ATOM 0 HB3 ASP A 127 21.909 -5.199 -10.071 1.00 3.66 H new ATOM 1694 N ASP A 128 18.420 -5.264 -9.991 1.00 2.70 N ATOM 1695 CA ASP A 128 17.547 -4.312 -10.675 1.00 2.87 C ATOM 1696 C ASP A 128 16.430 -3.796 -9.765 1.00 2.37 C ATOM 1697 O ASP A 128 16.569 -2.751 -9.128 1.00 2.51 O ATOM 1698 CB ASP A 128 16.953 -4.950 -11.934 1.00 3.34 C ATOM 1699 CG ASP A 128 17.987 -5.148 -13.025 1.00 3.82 C ATOM 1700 OD1 ASP A 128 18.723 -6.155 -12.970 1.00 4.30 O ATOM 1701 OD2 ASP A 128 18.061 -4.293 -13.933 1.00 4.15 O ATOM 0 H ASP A 128 18.102 -6.233 -10.020 1.00 2.70 H new ATOM 0 HA ASP A 128 18.158 -3.454 -10.957 1.00 2.87 H new ATOM 0 HB2 ASP A 128 16.512 -5.913 -11.676 1.00 3.34 H new ATOM 0 HB3 ASP A 128 16.147 -4.321 -12.311 1.00 3.34 H new ATOM 1706 N GLU A 129 15.319 -4.527 -9.719 1.00 2.02 N ATOM 1707 CA GLU A 129 14.167 -4.144 -8.903 1.00 1.94 C ATOM 1708 C GLU A 129 14.585 -3.723 -7.498 1.00 1.62 C ATOM 1709 O GLU A 129 13.968 -2.846 -6.897 1.00 1.65 O ATOM 1710 CB GLU A 129 13.167 -5.302 -8.826 1.00 2.14 C ATOM 1711 CG GLU A 129 11.935 -4.996 -7.990 1.00 3.04 C ATOM 1712 CD GLU A 129 10.828 -4.348 -8.799 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.879 -3.117 -8.995 1.00 4.72 O ATOM 1714 OE2 GLU A 129 9.911 -5.074 -9.235 1.00 4.68 O ATOM 0 H GLU A 129 15.191 -5.394 -10.241 1.00 2.02 H new ATOM 0 HA GLU A 129 13.694 -3.286 -9.381 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.853 -5.566 -9.836 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.669 -6.176 -8.410 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.563 -5.919 -7.546 1.00 3.04 H new ATOM 0 HG3 GLU A 129 12.213 -4.337 -7.168 1.00 3.04 H new ATOM 1721 N ALA A 130 15.634 -4.349 -6.978 1.00 1.57 N ATOM 1722 CA ALA A 130 16.123 -4.027 -5.641 1.00 1.56 C ATOM 1723 C ALA A 130 16.421 -2.537 -5.513 1.00 1.41 C ATOM 1724 O ALA A 130 15.966 -1.882 -4.574 1.00 1.33 O ATOM 1725 CB ALA A 130 17.359 -4.850 -5.320 1.00 1.92 C ATOM 0 H ALA A 130 16.161 -5.079 -7.458 1.00 1.57 H new ATOM 0 HA ALA A 130 15.342 -4.276 -4.922 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.713 -4.600 -4.320 1.00 1.92 H new ATOM 0 HB2 ALA A 130 17.111 -5.911 -5.362 1.00 1.92 H new ATOM 0 HB3 ALA A 130 18.141 -4.631 -6.047 1.00 1.92 H new ATOM 1731 N GLU A 131 17.177 -2.002 -6.467 1.00 1.46 N ATOM 1732 CA GLU A 131 17.521 -0.585 -6.462 1.00 1.46 C ATOM 1733 C GLU A 131 16.258 0.266 -6.528 1.00 1.38 C ATOM 1734 O GLU A 131 15.975 1.053 -5.622 1.00 1.37 O ATOM 1735 CB GLU A 131 18.437 -0.254 -7.643 1.00 1.66 C ATOM 1736 CG GLU A 131 19.321 0.960 -7.405 1.00 1.92 C ATOM 1737 CD GLU A 131 20.560 0.629 -6.595 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.999 -0.540 -6.632 1.00 3.30 O ATOM 1739 OE2 GLU A 131 21.092 1.539 -5.925 1.00 2.84 O ATOM 0 H GLU A 131 17.562 -2.528 -7.252 1.00 1.46 H new ATOM 0 HA GLU A 131 18.049 -0.361 -5.535 1.00 1.46 H new ATOM 0 HB2 GLU A 131 19.068 -1.117 -7.856 1.00 1.66 H new ATOM 0 HB3 GLU A 131 17.826 -0.080 -8.529 1.00 1.66 H new ATOM 0 HG2 GLU A 131 19.621 1.381 -8.365 1.00 1.92 H new ATOM 0 HG3 GLU A 131 18.746 1.727 -6.886 1.00 1.92 H new ATOM 1746 N GLU A 132 15.496 0.091 -7.603 1.00 1.44 N ATOM 1747 CA GLU A 132 14.252 0.830 -7.790 1.00 1.53 C ATOM 1748 C GLU A 132 13.353 0.678 -6.567 1.00 1.29 C ATOM 1749 O GLU A 132 12.712 1.633 -6.133 1.00 1.22 O ATOM 1750 CB GLU A 132 13.524 0.337 -9.043 1.00 1.86 C ATOM 1751 CG GLU A 132 13.520 1.345 -10.182 1.00 2.46 C ATOM 1752 CD GLU A 132 13.628 0.687 -11.543 1.00 2.96 C ATOM 1753 OE1 GLU A 132 14.682 0.077 -11.826 1.00 3.44 O ATOM 1754 OE2 GLU A 132 12.661 0.779 -12.326 1.00 3.37 O ATOM 0 H GLU A 132 15.718 -0.557 -8.359 1.00 1.44 H new ATOM 0 HA GLU A 132 14.493 1.885 -7.917 1.00 1.53 H new ATOM 0 HB2 GLU A 132 13.993 -0.585 -9.387 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.494 0.092 -8.782 1.00 1.86 H new ATOM 0 HG2 GLU A 132 12.603 1.933 -10.139 1.00 2.46 H new ATOM 0 HG3 GLU A 132 14.350 2.039 -10.051 1.00 2.46 H new ATOM 1761 N MET A 133 13.323 -0.530 -6.012 1.00 1.28 N ATOM 1762 CA MET A 133 12.516 -0.812 -4.832 1.00 1.23 C ATOM 1763 C MET A 133 13.012 0.006 -3.646 1.00 0.98 C ATOM 1764 O MET A 133 12.250 0.748 -3.021 1.00 0.92 O ATOM 1765 CB MET A 133 12.569 -2.305 -4.502 1.00 1.53 C ATOM 1766 CG MET A 133 11.607 -2.724 -3.404 1.00 1.39 C ATOM 1767 SD MET A 133 12.450 -3.297 -1.916 1.00 2.20 S ATOM 1768 CE MET A 133 11.370 -4.634 -1.416 1.00 2.47 C ATOM 0 H MET A 133 13.850 -1.330 -6.362 1.00 1.28 H new ATOM 0 HA MET A 133 11.483 -0.534 -5.040 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.347 -2.875 -5.404 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.584 -2.566 -4.202 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.964 -1.881 -3.150 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.960 -3.518 -3.778 1.00 1.39 H new ATOM 0 HE1 MET A 133 11.811 -5.161 -0.569 1.00 2.47 H new ATOM 0 HE2 MET A 133 10.400 -4.229 -1.127 1.00 2.47 H new ATOM 0 HE3 MET A 133 11.241 -5.327 -2.247 1.00 2.47 H new ATOM 1778 N GLU A 134 14.304 -0.123 -3.350 1.00 1.00 N ATOM 1779 CA GLU A 134 14.913 0.615 -2.250 1.00 0.98 C ATOM 1780 C GLU A 134 14.637 2.106 -2.404 1.00 0.85 C ATOM 1781 O GLU A 134 14.202 2.769 -1.463 1.00 0.92 O ATOM 1782 CB GLU A 134 16.421 0.359 -2.205 1.00 1.17 C ATOM 1783 CG GLU A 134 16.857 -0.487 -1.020 1.00 1.00 C ATOM 1784 CD GLU A 134 16.732 -1.974 -1.287 1.00 1.57 C ATOM 1785 OE1 GLU A 134 15.594 -2.446 -1.494 1.00 2.40 O ATOM 1786 OE2 GLU A 134 17.772 -2.667 -1.288 1.00 2.11 O ATOM 0 H GLU A 134 14.947 -0.731 -3.857 1.00 1.00 H new ATOM 0 HA GLU A 134 14.475 0.270 -1.314 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.725 -0.137 -3.127 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.943 1.315 -2.170 1.00 1.17 H new ATOM 0 HG2 GLU A 134 17.892 -0.252 -0.772 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.254 -0.226 -0.151 1.00 1.00 H new ATOM 1793 N SER A 135 14.875 2.623 -3.607 1.00 0.80 N ATOM 1794 CA SER A 135 14.635 4.031 -3.888 1.00 0.84 C ATOM 1795 C SER A 135 13.140 4.326 -3.838 1.00 0.80 C ATOM 1796 O SER A 135 12.718 5.391 -3.389 1.00 0.82 O ATOM 1797 CB SER A 135 15.201 4.407 -5.260 1.00 0.97 C ATOM 1798 OG SER A 135 16.045 5.542 -5.170 1.00 1.29 O ATOM 0 H SER A 135 15.233 2.088 -4.398 1.00 0.80 H new ATOM 0 HA SER A 135 15.140 4.629 -3.129 1.00 0.84 H new ATOM 0 HB2 SER A 135 15.760 3.566 -5.669 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.383 4.612 -5.951 1.00 0.97 H new ATOM 0 HG SER A 135 16.395 5.761 -6.059 1.00 1.29 H new ATOM 1804 N LEU A 136 12.345 3.361 -4.295 1.00 0.81 N ATOM 1805 CA LEU A 136 10.893 3.498 -4.301 1.00 0.87 C ATOM 1806 C LEU A 136 10.378 3.751 -2.888 1.00 0.73 C ATOM 1807 O LEU A 136 9.645 4.708 -2.647 1.00 0.85 O ATOM 1808 CB LEU A 136 10.248 2.235 -4.888 1.00 0.98 C ATOM 1809 CG LEU A 136 8.715 2.209 -4.904 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.168 1.878 -3.523 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.152 3.533 -5.399 1.00 1.73 C ATOM 0 H LEU A 136 12.685 2.474 -4.667 1.00 0.81 H new ATOM 0 HA LEU A 136 10.623 4.351 -4.924 1.00 0.87 H new ATOM 0 HB2 LEU A 136 10.604 2.111 -5.911 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.600 1.374 -4.321 1.00 0.98 H new ATOM 0 HG LEU A 136 8.400 1.428 -5.595 1.00 1.16 H new ATOM 0 HD11 LEU A 136 7.079 1.865 -3.557 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.533 0.899 -3.212 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.500 2.633 -2.810 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.063 3.487 -5.400 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.481 4.337 -4.741 1.00 1.73 H new ATOM 0 HD23 LEU A 136 8.508 3.724 -6.411 1.00 1.73 H new ATOM 1817 N GLU A 137 10.772 2.889 -1.956 1.00 0.57 N ATOM 1818 CA GLU A 137 10.348 3.030 -0.567 1.00 0.51 C ATOM 1819 C GLU A 137 11.108 4.158 0.122 1.00 0.52 C ATOM 1820 O GLU A 137 10.573 4.839 0.999 1.00 0.53 O ATOM 1821 CB GLU A 137 10.563 1.717 0.189 1.00 0.52 C ATOM 1822 CG GLU A 137 10.159 1.784 1.654 1.00 1.16 C ATOM 1823 CD GLU A 137 11.352 1.784 2.590 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.298 2.562 2.344 1.00 2.45 O ATOM 1825 OE2 GLU A 137 11.341 1.007 3.567 1.00 2.54 O ATOM 0 H GLU A 137 11.380 2.090 -2.135 1.00 0.57 H new ATOM 0 HA GLU A 137 9.286 3.275 -0.560 1.00 0.51 H new ATOM 0 HB2 GLU A 137 9.992 0.928 -0.301 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.615 1.438 0.123 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.569 2.685 1.823 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.518 0.935 1.889 1.00 1.16 H new ATOM 1832 N THR A 138 12.360 4.345 -0.276 1.00 0.57 N ATOM 1833 CA THR A 138 13.201 5.381 0.306 1.00 0.67 C ATOM 1834 C THR A 138 12.676 6.780 -0.018 1.00 0.69 C ATOM 1835 O THR A 138 12.733 7.677 0.820 1.00 0.77 O ATOM 1836 CB THR A 138 14.640 5.229 -0.193 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.242 4.071 0.357 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.523 6.408 0.148 1.00 1.10 C ATOM 0 H THR A 138 12.815 3.791 -1.001 1.00 0.57 H new ATOM 0 HA THR A 138 13.179 5.261 1.389 1.00 0.67 H new ATOM 0 HB THR A 138 14.560 5.158 -1.278 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.181 3.334 -0.286 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.528 6.233 -0.236 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.114 7.312 -0.304 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.564 6.531 1.230 1.00 1.10 H new ATOM 1843 N GLN A 139 12.181 6.970 -1.236 1.00 0.70 N ATOM 1844 CA GLN A 139 11.669 8.274 -1.647 1.00 0.79 C ATOM 1845 C GLN A 139 10.389 8.638 -0.897 1.00 0.67 C ATOM 1846 O GLN A 139 10.229 9.772 -0.445 1.00 0.67 O ATOM 1847 CB GLN A 139 11.413 8.300 -3.154 1.00 0.92 C ATOM 1848 CG GLN A 139 12.113 9.440 -3.879 1.00 1.04 C ATOM 1849 CD GLN A 139 12.905 8.967 -5.083 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.906 8.263 -4.945 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.458 9.351 -6.273 1.00 1.28 N ATOM 0 H GLN A 139 12.123 6.245 -1.951 1.00 0.70 H new ATOM 0 HA GLN A 139 12.429 9.015 -1.399 1.00 0.79 H new ATOM 0 HB2 GLN A 139 11.740 7.354 -3.585 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.340 8.376 -3.329 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.371 10.171 -4.201 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.782 9.950 -3.186 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.624 9.935 -6.341 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.949 9.062 -7.119 1.00 1.28 H new ATOM 1858 N ILE A 140 9.473 7.682 -0.765 1.00 0.60 N ATOM 1859 CA ILE A 140 8.216 7.946 -0.065 1.00 0.52 C ATOM 1860 C ILE A 140 8.425 7.967 1.446 1.00 0.47 C ATOM 1861 O ILE A 140 7.779 8.734 2.159 1.00 0.48 O ATOM 1862 CB ILE A 140 7.093 6.925 -0.406 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.579 5.859 -1.393 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.879 7.652 -0.969 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.481 4.945 -1.895 1.00 1.12 C ATOM 0 H ILE A 140 9.572 6.733 -1.126 1.00 0.60 H new ATOM 0 HA ILE A 140 7.889 8.926 -0.413 1.00 0.52 H new ATOM 0 HB ILE A 140 6.812 6.417 0.516 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.046 6.352 -2.245 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.349 5.256 -0.912 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.099 6.928 -1.205 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.505 8.362 -0.231 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.163 8.187 -1.875 1.00 0.52 H new ATOM 0 HD11 ILE A 140 6.902 4.218 -2.589 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.029 4.423 -1.052 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.721 5.536 -2.406 1.00 1.12 H new ATOM 1869 N MET A 141 9.323 7.118 1.930 1.00 0.47 N ATOM 1870 CA MET A 141 9.602 7.044 3.360 1.00 0.51 C ATOM 1871 C MET A 141 10.652 8.068 3.791 1.00 0.62 C ATOM 1872 O MET A 141 10.408 8.879 4.683 1.00 0.71 O ATOM 1873 CB MET A 141 10.054 5.633 3.737 1.00 0.51 C ATOM 1874 CG MET A 141 8.975 4.580 3.534 1.00 0.53 C ATOM 1875 SD MET A 141 7.444 4.976 4.400 1.00 1.02 S ATOM 1876 CE MET A 141 6.422 5.551 3.043 1.00 0.44 C ATOM 0 H MET A 141 9.868 6.474 1.357 1.00 0.47 H new ATOM 0 HA MET A 141 8.678 7.280 3.888 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.927 5.368 3.141 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.366 5.626 4.781 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.769 4.478 2.469 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.345 3.615 3.881 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.699 6.278 3.414 1.00 0.44 H new ATOM 0 HE2 MET A 141 7.052 6.019 2.286 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.893 4.706 2.602 1.00 0.44 H new ATOM 1886 N GLN A 142 11.827 8.016 3.168 1.00 0.66 N ATOM 1887 CA GLN A 142 12.915 8.931 3.508 1.00 0.79 C ATOM 1888 C GLN A 142 12.816 10.247 2.739 1.00 0.80 C ATOM 1889 O GLN A 142 13.036 11.320 3.300 1.00 0.85 O ATOM 1890 CB GLN A 142 14.268 8.272 3.235 1.00 0.90 C ATOM 1891 CG GLN A 142 14.414 6.899 3.872 1.00 1.34 C ATOM 1892 CD GLN A 142 15.779 6.690 4.499 1.00 1.47 C ATOM 1893 OE1 GLN A 142 15.932 6.765 5.718 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.779 6.426 3.667 1.00 1.85 N ATOM 0 H GLN A 142 12.050 7.352 2.427 1.00 0.66 H new ATOM 0 HA GLN A 142 12.827 9.158 4.571 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.408 8.181 2.158 1.00 0.90 H new ATOM 0 HB3 GLN A 142 15.061 8.922 3.605 1.00 0.90 H new ATOM 0 HG2 GLN A 142 13.645 6.772 4.634 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.244 6.132 3.117 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.607 6.373 2.663 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.720 6.276 4.032 1.00 1.85 H new ATOM 1901 N GLY A 143 12.498 10.160 1.449 1.00 0.79 N ATOM 1902 CA GLY A 143 12.390 11.354 0.623 1.00 0.84 C ATOM 1903 C GLY A 143 11.607 12.471 1.288 1.00 0.81 C ATOM 1904 O GLY A 143 11.850 13.648 1.025 1.00 1.05 O ATOM 0 H GLY A 143 12.313 9.284 0.960 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.391 11.713 0.382 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.910 11.094 -0.320 1.00 0.84 H new ATOM 1908 N LEU A 144 10.667 12.104 2.152 1.00 0.75 N ATOM 1909 CA LEU A 144 9.852 13.088 2.856 1.00 0.72 C ATOM 1910 C LEU A 144 10.352 13.287 4.282 1.00 0.87 C ATOM 1911 O LEU A 144 10.190 14.359 4.864 1.00 1.01 O ATOM 1912 CB LEU A 144 8.385 12.654 2.872 1.00 0.62 C ATOM 1913 CG LEU A 144 7.705 12.620 1.501 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.566 11.188 1.009 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.343 13.299 1.561 1.00 0.81 C ATOM 0 H LEU A 144 10.450 11.134 2.382 1.00 0.75 H new ATOM 0 HA LEU A 144 9.935 14.036 2.325 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.320 11.661 3.318 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.829 13.331 3.520 1.00 0.62 H new ATOM 0 HG LEU A 144 8.330 13.167 0.795 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.080 11.184 0.033 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.554 10.735 0.925 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.964 10.617 1.716 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.876 13.265 0.577 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.710 12.781 2.282 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.467 14.338 1.867 1.00 0.81 H new ATOM 1921 N GLY A 145 10.959 12.245 4.841 1.00 0.91 N ATOM 1922 CA GLY A 145 11.471 12.326 6.196 1.00 1.11 C ATOM 1923 C GLY A 145 10.366 12.302 7.234 1.00 1.11 C ATOM 1924 O GLY A 145 10.193 13.261 7.986 1.00 1.24 O ATOM 0 H GLY A 145 11.105 11.347 4.380 1.00 0.91 H new ATOM 0 HA2 GLY A 145 12.152 11.494 6.375 1.00 1.11 H new ATOM 0 HA3 GLY A 145 12.051 13.242 6.308 1.00 1.11 H new ATOM 1928 N PHE A 146 9.618 11.205 7.274 1.00 1.15 N ATOM 1929 CA PHE A 146 8.524 11.062 8.228 1.00 1.25 C ATOM 1930 C PHE A 146 9.057 10.937 9.651 1.00 1.47 C ATOM 1931 O PHE A 146 8.604 11.643 10.549 1.00 99.99 O ATOM 1932 CB PHE A 146 7.672 9.840 7.881 1.00 1.63 C ATOM 1933 CG PHE A 146 7.063 9.896 6.506 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.644 11.101 5.963 1.00 1.74 C ATOM 1935 CD2 PHE A 146 6.908 8.740 5.759 1.00 1.15 C ATOM 1936 CE1 PHE A 146 6.084 11.150 4.702 1.00 1.65 C ATOM 1937 CE2 PHE A 146 6.348 8.784 4.496 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.935 9.990 3.967 1.00 0.93 C ATOM 0 H PHE A 146 9.749 10.403 6.658 1.00 1.15 H new ATOM 0 HA PHE A 146 7.904 11.956 8.168 1.00 1.25 H new ATOM 0 HB2 PHE A 146 8.289 8.945 7.959 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.875 9.743 8.618 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.757 12.011 6.533 1.00 1.74 H new ATOM 0 HD2 PHE A 146 7.228 7.793 6.168 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.762 12.095 4.290 1.00 1.65 H new ATOM 0 HE2 PHE A 146 6.234 7.875 3.924 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.496 10.027 2.981 1.00 0.93 H new TER 1948 PHE A 146