USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=27 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 41 MET CE :methyl -138:sc= -0.938 (180deg=-0.195) USER MOD Set 1.2: A 116 SER OG : rot 70:sc= -1.58! USER MOD Set 1.3: A 122 TYR OH : rot 130:sc= -0.729 USER MOD Set 2.1: A 111 MET CE :methyl -112:sc= -7.67! (180deg=-0.424) USER MOD Set 2.2: A 114 HIS : no HE2:sc= -8.16! C(o=-16!,f=-20!) USER MOD Set 3.1: A 74 CYS SG : rot 43:sc= 0.551 USER MOD Set 3.2: A 124 HIS : no HD1:sc= 0.0844 K(o=0.64,f=-1.4) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.2) USER MOD Single : A 12 THR OG1 : rot 2:sc= -0.59 USER MOD Single : A 14 ASN : amide:sc= -1.96 K(o=-2,f=-2.5) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.00791 K(o=0.0079,f=-0.86) USER MOD Single : A 26 GLN : amide:sc= -0.0494 K(o=-0.049,f=-1.4!) USER MOD Single : A 29 THR OG1 : rot -104:sc= -3.29! USER MOD Single : A 33 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.065) USER MOD Single : A 42 THR OG1 : rot -47:sc= 0.962 USER MOD Single : A 51 SER OG : rot -66:sc= 0.449 USER MOD Single : A 52 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-5.9!) USER MOD Single : A 55 ASN : amide:sc= -8.3 K(o=-8.3,f=-22!) USER MOD Single : A 57 THR OG1 : rot -37:sc= 0.0676 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 65 THR OG1 : rot 180:sc= 0.388 USER MOD Single : A 66 ASN : amide:sc= -2.52! C(o=-2.5!,f=-5.9!) USER MOD Single : A 69 SER OG : rot -158:sc= -6.74! USER MOD Single : A 89 CYS SG : rot -170:sc= 0.134 USER MOD Single : A 91 GLN : amide:sc= -0.544 K(o=-0.54,f=-2.2!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -6.03! C(o=-6!,f=-6.1!) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= 0.434 (180deg=0.301) USER MOD Single : A 105 MET CE :methyl -167:sc= -0.0297 (180deg=-0.522) USER MOD Single : A 107 HIS :FLIP no HE2:sc= -6.24! C(o=-7.9!,f=-6.2!) USER MOD Single : A 110 HIS : no HD1:sc= -0.0605 X(o=-0.06,f=-0.23) USER MOD Single : A 118 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.38) USER MOD Single : A 133 MET CE :methyl 150:sc= -6.96! (180deg=-10.5!) USER MOD Single : A 135 SER OG : rot 75:sc= 0.92 USER MOD Single : A 138 THR OG1 : rot 111:sc= 1.15 USER MOD Single : A 139 GLN : amide:sc= -3.9 K(o=-3.9,f=-13!) USER MOD Single : A 141 MET CE :methyl -160:sc= -2.77 (180deg=-3.54) USER MOD Single : A 142 GLN :FLIP amide:sc= -0.424 F(o=-4!,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 8.351 4.568 -14.567 1.00 1.94 N ATOM 2 CA SER A 3 6.873 4.730 -14.574 1.00 1.63 C ATOM 3 C SER A 3 6.259 4.246 -13.264 1.00 1.31 C ATOM 4 O SER A 3 5.995 3.055 -13.090 1.00 1.66 O ATOM 5 CB SER A 3 6.299 3.939 -15.751 1.00 1.81 C ATOM 6 OG SER A 3 5.155 4.579 -16.287 1.00 2.13 O ATOM 0 HA SER A 3 6.630 5.787 -14.679 1.00 1.63 H new ATOM 0 HB2 SER A 3 7.057 3.834 -16.527 1.00 1.81 H new ATOM 0 HB3 SER A 3 6.037 2.933 -15.423 1.00 1.81 H new ATOM 0 HG SER A 3 4.809 4.054 -17.039 1.00 2.13 H new ATOM 12 N VAL A 4 6.032 5.178 -12.345 1.00 1.30 N ATOM 13 CA VAL A 4 5.448 4.844 -11.052 1.00 1.06 C ATOM 14 C VAL A 4 3.928 4.971 -11.086 1.00 0.93 C ATOM 15 O VAL A 4 3.385 6.076 -11.102 1.00 1.44 O ATOM 16 CB VAL A 4 6.013 5.735 -9.926 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.682 7.201 -10.172 1.00 1.82 C ATOM 18 CG2 VAL A 4 5.484 5.282 -8.573 1.00 2.29 C ATOM 0 H VAL A 4 6.243 6.168 -12.471 1.00 1.30 H new ATOM 0 HA VAL A 4 5.715 3.808 -10.843 1.00 1.06 H new ATOM 0 HB VAL A 4 7.098 5.633 -9.924 1.00 1.68 H new ATOM 0 HG11 VAL A 4 6.092 7.807 -9.364 1.00 1.82 H new ATOM 0 HG12 VAL A 4 6.117 7.518 -11.120 1.00 1.82 H new ATOM 0 HG13 VAL A 4 4.600 7.329 -10.209 1.00 1.82 H new ATOM 0 HG21 VAL A 4 5.892 5.921 -7.790 1.00 2.29 H new ATOM 0 HG22 VAL A 4 4.396 5.350 -8.566 1.00 2.29 H new ATOM 0 HG23 VAL A 4 5.784 4.250 -8.392 1.00 2.29 H new ATOM 22 N LEU A 5 3.247 3.829 -11.093 1.00 0.94 N ATOM 23 CA LEU A 5 1.790 3.806 -11.124 1.00 1.34 C ATOM 24 C LEU A 5 1.231 3.288 -9.802 1.00 1.09 C ATOM 25 O LEU A 5 1.422 2.125 -9.446 1.00 1.34 O ATOM 26 CB LEU A 5 1.295 2.934 -12.279 1.00 2.05 C ATOM 27 CG LEU A 5 1.369 3.588 -13.660 1.00 2.97 C ATOM 28 CD1 LEU A 5 1.119 2.559 -14.751 1.00 3.92 C ATOM 29 CD2 LEU A 5 0.370 4.731 -13.763 1.00 3.33 C ATOM 0 H LEU A 5 3.682 2.907 -11.078 1.00 0.94 H new ATOM 0 HA LEU A 5 1.437 4.826 -11.275 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.880 2.015 -12.297 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.261 2.650 -12.083 1.00 2.05 H new ATOM 0 HG LEU A 5 2.371 3.995 -13.795 1.00 2.97 H new ATOM 0 HD11 LEU A 5 1.175 3.042 -15.727 1.00 3.92 H new ATOM 0 HD12 LEU A 5 1.873 1.774 -14.691 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.129 2.122 -14.619 1.00 3.92 H new ATOM 0 HD21 LEU A 5 0.437 5.184 -14.752 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -0.638 4.348 -13.607 1.00 3.33 H new ATOM 0 HD23 LEU A 5 0.595 5.480 -13.004 1.00 3.33 H new ATOM 35 N VAL A 6 0.544 4.160 -9.073 1.00 0.88 N ATOM 36 CA VAL A 6 -0.038 3.790 -7.791 1.00 0.75 C ATOM 37 C VAL A 6 -1.540 4.048 -7.777 1.00 0.75 C ATOM 38 O VAL A 6 -2.010 5.054 -8.308 1.00 1.03 O ATOM 39 CB VAL A 6 0.622 4.567 -6.634 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.402 6.063 -6.800 1.00 1.26 C ATOM 41 CG2 VAL A 6 0.090 4.085 -5.292 1.00 1.02 C ATOM 0 H VAL A 6 0.377 5.128 -9.349 1.00 0.88 H new ATOM 0 HA VAL A 6 0.143 2.724 -7.652 1.00 0.75 H new ATOM 0 HB VAL A 6 1.695 4.377 -6.660 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.875 6.594 -5.974 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.840 6.393 -7.742 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -0.667 6.275 -6.803 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.568 4.645 -4.489 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.988 4.240 -5.251 1.00 1.02 H new ATOM 0 HG23 VAL A 6 0.309 3.024 -5.174 1.00 1.02 H new ATOM 45 N ASP A 7 -2.292 3.138 -7.165 1.00 0.72 N ATOM 46 CA ASP A 7 -3.741 3.282 -7.089 1.00 0.83 C ATOM 47 C ASP A 7 -4.276 2.788 -5.749 1.00 0.75 C ATOM 48 O ASP A 7 -4.003 1.660 -5.334 1.00 0.99 O ATOM 49 CB ASP A 7 -4.415 2.523 -8.235 1.00 1.02 C ATOM 50 CG ASP A 7 -4.138 1.033 -8.186 1.00 1.78 C ATOM 51 OD1 ASP A 7 -2.952 0.653 -8.098 1.00 2.33 O ATOM 52 OD2 ASP A 7 -5.107 0.249 -8.239 1.00 2.52 O ATOM 0 H ASP A 7 -1.925 2.298 -6.717 1.00 0.72 H new ATOM 0 HA ASP A 7 -3.975 4.343 -7.179 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -5.491 2.691 -8.194 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -4.066 2.923 -9.187 1.00 1.02 H new ATOM 57 N LEU A 8 -5.042 3.644 -5.079 1.00 0.63 N ATOM 58 CA LEU A 8 -5.624 3.306 -3.785 1.00 0.74 C ATOM 59 C LEU A 8 -7.146 3.350 -3.851 1.00 0.59 C ATOM 60 O LEU A 8 -7.720 4.211 -4.516 1.00 0.79 O ATOM 61 CB LEU A 8 -5.121 4.268 -2.708 1.00 1.20 C ATOM 62 CG LEU A 8 -5.617 5.709 -2.844 1.00 0.83 C ATOM 63 CD1 LEU A 8 -6.995 5.861 -2.218 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.628 6.670 -2.203 1.00 1.52 C ATOM 0 H LEU A 8 -5.274 4.580 -5.412 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.316 2.293 -3.527 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.422 3.887 -1.732 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.031 4.272 -2.726 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.696 5.950 -3.904 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -7.331 6.892 -2.324 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.698 5.197 -2.720 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.945 5.603 -1.160 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.994 7.692 -2.307 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.520 6.429 -1.145 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.660 6.579 -2.696 1.00 1.52 H new ATOM 70 N GLN A 9 -7.797 2.420 -3.162 1.00 0.65 N ATOM 71 CA GLN A 9 -9.255 2.369 -3.152 1.00 0.80 C ATOM 72 C GLN A 9 -9.787 2.058 -1.757 1.00 0.79 C ATOM 73 O GLN A 9 -9.175 1.305 -1.000 1.00 0.81 O ATOM 74 CB GLN A 9 -9.761 1.324 -4.150 1.00 1.03 C ATOM 75 CG GLN A 9 -8.972 0.025 -4.126 1.00 1.27 C ATOM 76 CD GLN A 9 -8.165 -0.191 -5.391 1.00 1.82 C ATOM 77 OE1 GLN A 9 -7.504 0.724 -5.884 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.217 -1.406 -5.925 1.00 2.59 N ATOM 0 H GLN A 9 -7.343 1.695 -2.606 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.624 3.351 -3.447 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -10.808 1.107 -3.936 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.721 1.745 -5.155 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -8.301 0.028 -3.267 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -9.659 -0.810 -3.991 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -8.778 -2.134 -5.482 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -7.696 -1.611 -6.778 1.00 2.59 H new ATOM 85 N ILE A 10 -10.932 2.644 -1.424 1.00 0.83 N ATOM 86 CA ILE A 10 -11.548 2.431 -0.122 1.00 0.86 C ATOM 87 C ILE A 10 -12.803 1.570 -0.251 1.00 1.02 C ATOM 88 O ILE A 10 -13.418 1.512 -1.316 1.00 1.23 O ATOM 89 CB ILE A 10 -11.896 3.775 0.563 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.713 3.658 2.080 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.313 4.223 0.215 1.00 1.28 C ATOM 92 CD1 ILE A 10 -12.274 4.828 2.858 1.00 1.19 C ATOM 0 H ILE A 10 -11.452 3.270 -2.039 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.823 1.907 0.501 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.212 4.537 0.189 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -12.193 2.742 2.424 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -10.650 3.563 2.301 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.527 5.170 0.711 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.399 4.351 -0.864 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.025 3.469 0.549 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -12.106 4.671 3.923 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.777 5.746 2.544 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -13.344 4.912 2.668 1.00 1.19 H new ATOM 96 N ALA A 11 -13.176 0.900 0.834 1.00 0.97 N ATOM 97 CA ALA A 11 -14.354 0.043 0.826 1.00 1.15 C ATOM 98 C ALA A 11 -15.018 -0.003 2.200 1.00 1.15 C ATOM 99 O ALA A 11 -15.574 -1.027 2.598 1.00 1.32 O ATOM 100 CB ALA A 11 -13.980 -1.358 0.366 1.00 1.30 C ATOM 0 H ALA A 11 -12.682 0.934 1.726 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.074 0.465 0.125 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.868 -1.990 0.364 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.565 -1.312 -0.641 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.238 -1.778 1.045 1.00 1.30 H new ATOM 106 N THR A 12 -14.960 1.113 2.919 1.00 1.10 N ATOM 107 CA THR A 12 -15.559 1.196 4.245 1.00 1.29 C ATOM 108 C THR A 12 -17.017 1.631 4.154 1.00 1.72 C ATOM 109 O THR A 12 -17.557 1.803 3.061 1.00 2.07 O ATOM 110 CB THR A 12 -14.778 2.174 5.124 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.753 3.464 4.539 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.345 1.750 5.363 1.00 1.29 C ATOM 0 H THR A 12 -14.505 1.971 2.606 1.00 1.10 H new ATOM 0 HA THR A 12 -15.519 0.205 4.696 1.00 1.29 H new ATOM 0 HB THR A 12 -15.301 2.184 6.080 1.00 1.15 H new ATOM 0 HG1 THR A 12 -15.271 3.456 3.707 1.00 1.78 H new ATOM 0 HG21 THR A 12 -12.848 2.487 5.993 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.331 0.779 5.859 1.00 1.29 H new ATOM 0 HG23 THR A 12 -12.823 1.678 4.409 1.00 1.29 H new ATOM 117 N GLU A 13 -17.648 1.808 5.309 1.00 2.10 N ATOM 118 CA GLU A 13 -19.044 2.224 5.361 1.00 2.62 C ATOM 119 C GLU A 13 -19.157 3.696 5.743 1.00 2.49 C ATOM 120 O GLU A 13 -19.953 4.438 5.168 1.00 2.85 O ATOM 121 CB GLU A 13 -19.816 1.362 6.363 1.00 3.24 C ATOM 122 CG GLU A 13 -21.321 1.553 6.294 1.00 3.89 C ATOM 123 CD GLU A 13 -21.873 1.347 4.897 1.00 4.72 C ATOM 124 OE1 GLU A 13 -21.889 2.322 4.115 1.00 5.17 O ATOM 125 OE2 GLU A 13 -22.288 0.212 4.582 1.00 5.27 O ATOM 0 H GLU A 13 -17.215 1.670 6.222 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.477 2.091 4.369 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -19.582 0.313 6.183 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -19.474 1.596 7.371 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -21.804 0.855 6.978 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -21.572 2.557 6.635 1.00 3.89 H new ATOM 132 N ASN A 14 -18.354 4.111 6.717 1.00 2.26 N ATOM 133 CA ASN A 14 -18.361 5.494 7.177 1.00 2.51 C ATOM 134 C ASN A 14 -17.052 5.840 7.881 1.00 1.99 C ATOM 135 O ASN A 14 -16.573 5.084 8.726 1.00 1.78 O ATOM 136 CB ASN A 14 -19.537 5.734 8.124 1.00 3.10 C ATOM 137 CG ASN A 14 -20.871 5.727 7.402 1.00 3.79 C ATOM 138 OD1 ASN A 14 -21.059 6.431 6.411 1.00 4.30 O ATOM 139 ND2 ASN A 14 -21.808 4.927 7.899 1.00 4.18 N ATOM 0 H ASN A 14 -17.690 3.509 7.203 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.467 6.139 6.304 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.541 4.965 8.896 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -19.405 6.691 8.628 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -22.726 4.880 7.456 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -21.610 4.360 8.723 1.00 4.18 H new ATOM 144 N ILE A 15 -16.479 6.986 7.528 1.00 2.45 N ATOM 145 CA ILE A 15 -15.226 7.428 8.131 1.00 2.24 C ATOM 146 C ILE A 15 -15.287 8.907 8.494 1.00 1.60 C ATOM 147 O ILE A 15 -16.229 9.610 8.125 1.00 1.92 O ATOM 148 CB ILE A 15 -14.016 7.200 7.195 1.00 3.00 C ATOM 149 CG1 ILE A 15 -14.301 6.088 6.181 1.00 2.89 C ATOM 150 CG2 ILE A 15 -12.778 6.863 8.013 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.002 6.575 4.931 1.00 3.61 C ATOM 0 H ILE A 15 -16.861 7.624 6.830 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.092 6.828 9.031 1.00 2.24 H new ATOM 0 HB ILE A 15 -13.838 8.122 6.641 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.361 5.614 5.899 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -14.914 5.322 6.656 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -11.932 6.704 7.344 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -12.555 7.686 8.691 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -12.959 5.956 8.590 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.172 5.734 4.258 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -15.958 7.022 5.201 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -14.381 7.319 4.432 1.00 3.61 H new ATOM 155 N GLU A 16 -14.271 9.377 9.211 1.00 1.45 N ATOM 156 CA GLU A 16 -14.201 10.777 9.615 1.00 1.67 C ATOM 157 C GLU A 16 -13.314 11.563 8.654 1.00 1.94 C ATOM 158 O GLU A 16 -12.651 12.524 9.045 1.00 2.67 O ATOM 159 CB GLU A 16 -13.663 10.893 11.043 1.00 2.11 C ATOM 160 CG GLU A 16 -14.753 10.989 12.099 1.00 3.11 C ATOM 161 CD GLU A 16 -14.281 11.681 13.363 1.00 3.84 C ATOM 162 OE1 GLU A 16 -13.327 12.482 13.280 1.00 4.13 O ATOM 163 OE2 GLU A 16 -14.864 11.421 14.436 1.00 4.53 O ATOM 0 H GLU A 16 -13.484 8.808 9.524 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.207 11.196 9.585 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.036 10.027 11.258 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -13.024 11.774 11.111 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -15.605 11.532 11.689 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -15.103 9.987 12.347 1.00 3.11 H new ATOM 170 N GLY A 17 -13.304 11.139 7.395 1.00 1.95 N ATOM 171 CA GLY A 17 -12.495 11.798 6.387 1.00 2.86 C ATOM 172 C GLY A 17 -12.039 10.838 5.307 1.00 2.74 C ATOM 173 O GLY A 17 -10.914 10.340 5.345 1.00 3.16 O ATOM 0 H GLY A 17 -13.846 10.345 7.053 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -13.068 12.607 5.934 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -11.624 12.251 6.861 1.00 2.86 H new ATOM 177 N LEU A 18 -12.919 10.572 4.344 1.00 2.64 N ATOM 178 CA LEU A 18 -12.610 9.657 3.247 1.00 2.63 C ATOM 179 C LEU A 18 -11.227 9.938 2.661 1.00 2.01 C ATOM 180 O LEU A 18 -10.783 11.086 2.618 1.00 2.22 O ATOM 181 CB LEU A 18 -13.673 9.765 2.151 1.00 3.46 C ATOM 182 CG LEU A 18 -14.034 11.196 1.739 1.00 3.97 C ATOM 183 CD1 LEU A 18 -13.476 11.512 0.360 1.00 4.46 C ATOM 184 CD2 LEU A 18 -15.542 11.395 1.764 1.00 4.91 C ATOM 0 H LEU A 18 -13.854 10.978 4.301 1.00 2.64 H new ATOM 0 HA LEU A 18 -12.609 8.644 3.649 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.322 9.227 1.271 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -14.578 9.262 2.492 1.00 3.46 H new ATOM 0 HG LEU A 18 -13.585 11.883 2.456 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -13.743 12.532 0.085 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -12.391 11.412 0.375 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -13.894 10.818 -0.369 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -15.779 12.417 1.469 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -16.012 10.698 1.070 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -15.916 11.212 2.771 1.00 4.91 H new ATOM 190 N PRO A 19 -10.525 8.887 2.205 1.00 1.58 N ATOM 191 CA PRO A 19 -9.188 9.019 1.626 1.00 1.46 C ATOM 192 C PRO A 19 -9.224 9.475 0.171 1.00 1.48 C ATOM 193 O PRO A 19 -10.098 9.069 -0.596 1.00 2.32 O ATOM 194 CB PRO A 19 -8.637 7.599 1.731 1.00 1.63 C ATOM 195 CG PRO A 19 -9.837 6.727 1.593 1.00 1.84 C ATOM 196 CD PRO A 19 -10.979 7.482 2.223 1.00 1.84 C ATOM 0 HA PRO A 19 -8.587 9.771 2.136 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.906 7.397 0.948 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -8.135 7.437 2.685 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -10.044 6.512 0.545 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -9.682 5.769 2.090 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -11.903 7.353 1.659 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -11.174 7.138 3.239 1.00 1.84 H new ATOM 204 N THR A 20 -8.270 10.321 -0.203 1.00 1.19 N ATOM 205 CA THR A 20 -8.192 10.833 -1.567 1.00 1.25 C ATOM 206 C THR A 20 -6.888 10.402 -2.234 1.00 1.21 C ATOM 207 O THR A 20 -5.804 10.582 -1.677 1.00 1.19 O ATOM 208 CB THR A 20 -8.311 12.360 -1.575 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.764 12.903 -2.764 1.00 1.78 O ATOM 210 CG2 THR A 20 -7.614 13.025 -0.405 1.00 2.03 C ATOM 0 H THR A 20 -7.540 10.667 0.419 1.00 1.19 H new ATOM 0 HA THR A 20 -9.024 10.415 -2.134 1.00 1.25 H new ATOM 0 HB THR A 20 -9.380 12.562 -1.503 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.852 13.879 -2.749 1.00 1.78 H new ATOM 0 HG21 THR A 20 -7.738 14.106 -0.474 1.00 2.03 H new ATOM 0 HG22 THR A 20 -8.049 12.668 0.528 1.00 2.03 H new ATOM 0 HG23 THR A 20 -6.552 12.780 -0.427 1.00 2.03 H new ATOM 215 N GLU A 21 -7.003 9.828 -3.427 1.00 1.30 N ATOM 216 CA GLU A 21 -5.837 9.364 -4.173 1.00 1.28 C ATOM 217 C GLU A 21 -4.865 10.505 -4.454 1.00 1.19 C ATOM 218 O GLU A 21 -3.664 10.372 -4.234 1.00 1.10 O ATOM 219 CB GLU A 21 -6.270 8.710 -5.487 1.00 1.44 C ATOM 220 CG GLU A 21 -7.316 9.504 -6.253 1.00 1.56 C ATOM 221 CD GLU A 21 -6.784 10.063 -7.559 1.00 1.94 C ATOM 222 OE1 GLU A 21 -5.597 10.451 -7.599 1.00 2.54 O ATOM 223 OE2 GLU A 21 -7.553 10.113 -8.541 1.00 2.04 O ATOM 0 H GLU A 21 -7.893 9.672 -3.899 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.323 8.625 -3.558 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.394 8.575 -6.121 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.665 7.717 -5.274 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.174 8.864 -6.459 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.673 10.324 -5.630 1.00 1.56 H new ATOM 230 N GLU A 22 -5.382 11.625 -4.945 1.00 1.24 N ATOM 231 CA GLU A 22 -4.542 12.778 -5.257 1.00 1.18 C ATOM 232 C GLU A 22 -3.634 13.135 -4.081 1.00 1.05 C ATOM 233 O GLU A 22 -2.414 13.216 -4.226 1.00 0.99 O ATOM 234 CB GLU A 22 -5.412 13.981 -5.628 1.00 1.26 C ATOM 235 CG GLU A 22 -6.508 13.652 -6.629 1.00 1.93 C ATOM 236 CD GLU A 22 -6.454 14.528 -7.866 1.00 2.47 C ATOM 237 OE1 GLU A 22 -5.542 14.328 -8.695 1.00 3.23 O ATOM 238 OE2 GLU A 22 -7.323 15.415 -8.004 1.00 2.76 O ATOM 0 H GLU A 22 -6.375 11.761 -5.136 1.00 1.24 H new ATOM 0 HA GLU A 22 -3.912 12.514 -6.106 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -5.867 14.383 -4.723 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -4.777 14.765 -6.041 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -6.422 12.607 -6.925 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -7.480 13.768 -6.149 1.00 1.93 H new ATOM 245 N GLN A 23 -4.240 13.343 -2.916 1.00 1.02 N ATOM 246 CA GLN A 23 -3.490 13.691 -1.713 1.00 0.93 C ATOM 247 C GLN A 23 -2.520 12.578 -1.330 1.00 0.82 C ATOM 248 O GLN A 23 -1.311 12.796 -1.255 1.00 0.77 O ATOM 249 CB GLN A 23 -4.446 13.970 -0.552 1.00 0.99 C ATOM 250 CG GLN A 23 -3.786 14.670 0.624 1.00 0.97 C ATOM 251 CD GLN A 23 -3.549 16.145 0.366 1.00 1.14 C ATOM 252 OE1 GLN A 23 -4.354 16.810 -0.285 1.00 2.08 O ATOM 253 NE2 GLN A 23 -2.438 16.664 0.876 1.00 1.09 N ATOM 0 H GLN A 23 -5.249 13.277 -2.779 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.914 14.591 -1.926 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.272 14.583 -0.912 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.874 13.028 -0.210 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.413 14.556 1.508 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -2.834 14.186 0.843 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -1.798 16.075 1.410 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -2.224 17.651 0.734 1.00 1.09 H new ATOM 260 N ILE A 24 -3.057 11.389 -1.087 1.00 0.83 N ATOM 261 CA ILE A 24 -2.237 10.241 -0.710 1.00 0.74 C ATOM 262 C ILE A 24 -1.170 9.960 -1.763 1.00 0.69 C ATOM 263 O ILE A 24 0.029 10.027 -1.484 1.00 0.67 O ATOM 264 CB ILE A 24 -3.100 8.976 -0.517 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.197 9.232 0.518 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.234 7.795 -0.096 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.276 8.171 0.529 1.00 1.43 C ATOM 0 H ILE A 24 -4.056 11.193 -1.144 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.754 10.491 0.235 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.572 8.732 -1.469 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.745 9.290 1.508 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.654 10.202 0.319 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.861 6.913 0.035 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.487 7.599 -0.865 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.734 8.028 0.844 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.020 8.417 1.287 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.754 8.128 -0.449 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -4.832 7.202 0.758 1.00 1.43 H new ATOM 271 N VAL A 25 -1.617 9.647 -2.976 1.00 0.77 N ATOM 272 CA VAL A 25 -0.708 9.356 -4.079 1.00 0.77 C ATOM 273 C VAL A 25 0.364 10.436 -4.205 1.00 0.74 C ATOM 274 O VAL A 25 1.559 10.142 -4.164 1.00 0.73 O ATOM 275 CB VAL A 25 -1.467 9.230 -5.416 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.510 8.911 -6.552 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.552 8.168 -5.316 1.00 1.45 C ATOM 0 H VAL A 25 -2.606 9.588 -3.220 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.230 8.402 -3.856 1.00 0.77 H new ATOM 0 HB VAL A 25 -1.941 10.188 -5.630 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.068 8.827 -7.485 1.00 0.85 H new ATOM 0 HG12 VAL A 25 0.228 9.708 -6.641 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.002 7.969 -6.346 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.077 8.093 -6.268 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.099 7.206 -5.075 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.259 8.443 -4.533 1.00 1.45 H new ATOM 281 N GLN A 26 -0.068 11.686 -4.348 1.00 0.76 N ATOM 282 CA GLN A 26 0.867 12.799 -4.466 1.00 0.77 C ATOM 283 C GLN A 26 1.737 12.894 -3.218 1.00 0.72 C ATOM 284 O GLN A 26 2.941 13.123 -3.296 1.00 0.71 O ATOM 285 CB GLN A 26 0.112 14.113 -4.681 1.00 0.85 C ATOM 286 CG GLN A 26 0.997 15.251 -5.160 1.00 0.94 C ATOM 287 CD GLN A 26 0.204 16.388 -5.777 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.868 16.175 -6.342 1.00 1.72 O ATOM 289 NE2 GLN A 26 0.732 17.602 -5.670 1.00 2.19 N ATOM 0 H GLN A 26 -1.052 11.952 -4.385 1.00 0.76 H new ATOM 0 HA GLN A 26 1.508 12.620 -5.329 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.683 13.951 -5.409 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.367 14.405 -3.746 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.578 15.632 -4.320 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.708 14.869 -5.893 1.00 0.94 H new ATOM 0 HE21 GLN A 26 1.624 17.730 -5.192 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.245 18.406 -6.066 1.00 2.19 H new ATOM 296 N TRP A 27 1.120 12.705 -2.062 1.00 0.74 N ATOM 297 CA TRP A 27 1.840 12.762 -0.799 1.00 0.76 C ATOM 298 C TRP A 27 3.015 11.786 -0.806 1.00 0.69 C ATOM 299 O TRP A 27 4.174 12.190 -0.696 1.00 0.67 O ATOM 300 CB TRP A 27 0.884 12.441 0.352 1.00 0.92 C ATOM 301 CG TRP A 27 1.544 12.371 1.696 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.384 11.391 2.631 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.459 13.318 2.258 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.141 11.670 3.741 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.812 12.846 3.537 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.018 14.518 1.807 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.694 13.530 4.367 1.00 0.79 C ATOM 308 CZ3 TRP A 27 3.894 15.196 2.633 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.225 14.700 3.900 1.00 0.87 C ATOM 0 H TRP A 27 0.123 12.511 -1.972 1.00 0.74 H new ATOM 0 HA TRP A 27 2.237 13.768 -0.662 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.102 13.200 0.383 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.396 11.488 0.149 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.753 10.522 2.515 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.195 11.095 4.582 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.770 14.908 0.831 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 3.950 13.150 5.345 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.331 16.124 2.296 1.00 0.98 H new ATOM 0 HH2 TRP A 27 4.914 15.253 4.521 1.00 0.87 H new ATOM 320 N ALA A 28 2.711 10.501 -0.947 1.00 0.70 N ATOM 321 CA ALA A 28 3.745 9.474 -0.968 1.00 0.72 C ATOM 322 C ALA A 28 4.393 9.353 -2.345 1.00 0.68 C ATOM 323 O ALA A 28 5.513 9.824 -2.565 1.00 0.73 O ATOM 324 CB ALA A 28 3.161 8.136 -0.535 1.00 0.78 C ATOM 0 H ALA A 28 1.760 10.146 -1.048 1.00 0.70 H new ATOM 0 HA ALA A 28 4.524 9.769 -0.265 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.941 7.375 -0.554 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.763 8.223 0.476 1.00 0.78 H new ATOM 0 HB3 ALA A 28 2.360 7.851 -1.217 1.00 0.78 H new ATOM 330 N THR A 29 3.692 8.708 -3.269 1.00 0.63 N ATOM 331 CA THR A 29 4.215 8.515 -4.614 1.00 0.67 C ATOM 332 C THR A 29 4.574 9.843 -5.273 1.00 0.64 C ATOM 333 O THR A 29 5.389 9.882 -6.194 1.00 0.72 O ATOM 334 CB THR A 29 3.222 7.742 -5.479 1.00 0.69 C ATOM 335 OG1 THR A 29 2.110 7.316 -4.711 1.00 1.02 O ATOM 336 CG2 THR A 29 3.838 6.517 -6.118 1.00 0.74 C ATOM 0 H THR A 29 2.765 8.312 -3.112 1.00 0.63 H new ATOM 0 HA THR A 29 5.129 7.928 -4.526 1.00 0.67 H new ATOM 0 HB THR A 29 2.910 8.432 -6.263 1.00 0.69 H new ATOM 0 HG1 THR A 29 2.190 6.357 -4.523 1.00 1.02 H new ATOM 0 HG21 THR A 29 3.088 6.005 -6.721 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.671 6.818 -6.753 1.00 0.74 H new ATOM 0 HG23 THR A 29 4.199 5.844 -5.341 1.00 0.74 H new ATOM 341 N GLY A 30 3.981 10.934 -4.795 1.00 0.60 N ATOM 342 CA GLY A 30 4.292 12.226 -5.367 1.00 0.64 C ATOM 343 C GLY A 30 5.664 12.700 -4.942 1.00 0.66 C ATOM 344 O GLY A 30 6.411 13.256 -5.746 1.00 0.72 O ATOM 0 H GLY A 30 3.302 10.945 -4.034 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.247 12.165 -6.454 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.542 12.953 -5.057 1.00 0.64 H new ATOM 348 N ALA A 31 6.012 12.460 -3.680 1.00 0.65 N ATOM 349 CA ALA A 31 7.320 12.848 -3.174 1.00 0.73 C ATOM 350 C ALA A 31 8.421 12.218 -4.024 1.00 0.75 C ATOM 351 O ALA A 31 9.504 12.784 -4.181 1.00 0.83 O ATOM 352 CB ALA A 31 7.471 12.439 -1.717 1.00 0.82 C ATOM 0 H ALA A 31 5.410 12.002 -2.996 1.00 0.65 H new ATOM 0 HA ALA A 31 7.410 13.933 -3.235 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.455 12.737 -1.356 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.702 12.929 -1.120 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.365 11.358 -1.630 1.00 0.82 H new ATOM 358 N VAL A 32 8.127 11.042 -4.578 1.00 0.76 N ATOM 359 CA VAL A 32 9.084 10.327 -5.422 1.00 0.87 C ATOM 360 C VAL A 32 8.912 10.682 -6.901 1.00 0.91 C ATOM 361 O VAL A 32 9.756 10.339 -7.729 1.00 1.03 O ATOM 362 CB VAL A 32 8.950 8.803 -5.255 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.558 8.344 -5.652 1.00 1.07 C ATOM 364 CG2 VAL A 32 10.012 8.076 -6.070 1.00 1.23 C ATOM 0 H VAL A 32 7.234 10.564 -4.458 1.00 0.76 H new ATOM 0 HA VAL A 32 10.076 10.640 -5.096 1.00 0.87 H new ATOM 0 HB VAL A 32 9.104 8.558 -4.204 1.00 1.04 H new ATOM 0 HG11 VAL A 32 7.482 7.264 -5.527 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.819 8.835 -5.019 1.00 1.07 H new ATOM 0 HG13 VAL A 32 7.373 8.603 -6.695 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.899 7.000 -5.937 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.896 8.326 -7.125 1.00 1.23 H new ATOM 0 HG23 VAL A 32 11.002 8.381 -5.732 1.00 1.23 H new ATOM 368 N GLN A 33 7.819 11.368 -7.227 1.00 0.90 N ATOM 369 CA GLN A 33 7.537 11.764 -8.605 1.00 1.04 C ATOM 370 C GLN A 33 8.774 12.346 -9.294 1.00 1.07 C ATOM 371 O GLN A 33 9.172 11.875 -10.360 1.00 1.22 O ATOM 372 CB GLN A 33 6.396 12.781 -8.641 1.00 1.22 C ATOM 373 CG GLN A 33 5.489 12.634 -9.852 1.00 1.37 C ATOM 374 CD GLN A 33 4.300 11.734 -9.582 1.00 1.19 C ATOM 375 OE1 GLN A 33 3.168 12.202 -9.460 1.00 1.67 O ATOM 376 NE2 GLN A 33 4.551 10.433 -9.486 1.00 1.88 N ATOM 0 H GLN A 33 7.112 11.662 -6.553 1.00 0.90 H new ATOM 0 HA GLN A 33 7.242 10.867 -9.149 1.00 1.04 H new ATOM 0 HB2 GLN A 33 5.799 12.677 -7.735 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.816 13.787 -8.632 1.00 1.22 H new ATOM 0 HG2 GLN A 33 5.133 13.618 -10.157 1.00 1.37 H new ATOM 0 HG3 GLN A 33 6.064 12.230 -10.685 1.00 1.37 H new ATOM 0 HE21 GLN A 33 5.505 10.088 -9.594 1.00 1.88 H new ATOM 0 HE22 GLN A 33 3.790 9.779 -9.304 1.00 1.88 H new ATOM 383 N PRO A 34 9.400 13.384 -8.702 1.00 1.04 N ATOM 384 CA PRO A 34 10.588 14.024 -9.269 1.00 1.23 C ATOM 385 C PRO A 34 11.585 13.018 -9.841 1.00 1.50 C ATOM 386 O PRO A 34 12.316 13.323 -10.784 1.00 1.84 O ATOM 387 CB PRO A 34 11.206 14.779 -8.079 1.00 1.29 C ATOM 388 CG PRO A 34 10.331 14.487 -6.898 1.00 1.15 C ATOM 389 CD PRO A 34 9.011 14.024 -7.443 1.00 0.96 C ATOM 0 HA PRO A 34 10.329 14.670 -10.108 1.00 1.23 H new ATOM 0 HB2 PRO A 34 12.229 14.448 -7.897 1.00 1.29 H new ATOM 0 HB3 PRO A 34 11.248 15.850 -8.277 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.778 13.721 -6.265 1.00 1.15 H new ATOM 0 HG3 PRO A 34 10.204 15.376 -6.281 1.00 1.15 H new ATOM 0 HD2 PRO A 34 8.515 13.326 -6.768 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.324 14.855 -7.604 1.00 0.96 H new ATOM 397 N GLU A 35 11.610 11.818 -9.268 1.00 1.43 N ATOM 398 CA GLU A 35 12.519 10.774 -9.727 1.00 1.69 C ATOM 399 C GLU A 35 11.853 9.898 -10.784 1.00 1.95 C ATOM 400 O GLU A 35 12.356 9.763 -11.900 1.00 2.55 O ATOM 401 CB GLU A 35 12.976 9.913 -8.547 1.00 1.58 C ATOM 402 CG GLU A 35 14.488 9.825 -8.410 1.00 2.20 C ATOM 403 CD GLU A 35 15.102 8.830 -9.374 1.00 2.95 C ATOM 404 OE1 GLU A 35 14.468 8.535 -10.408 1.00 3.47 O ATOM 405 OE2 GLU A 35 16.219 8.346 -9.095 1.00 3.53 O ATOM 0 H GLU A 35 11.013 11.546 -8.487 1.00 1.43 H new ATOM 0 HA GLU A 35 13.388 11.255 -10.176 1.00 1.69 H new ATOM 0 HB2 GLU A 35 12.559 10.321 -7.626 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.570 8.908 -8.662 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.923 10.809 -8.583 1.00 2.20 H new ATOM 0 HG3 GLU A 35 14.741 9.540 -7.389 1.00 2.20 H new ATOM 412 N GLY A 36 10.719 9.304 -10.426 1.00 1.77 N ATOM 413 CA GLY A 36 10.004 8.449 -11.354 1.00 2.19 C ATOM 414 C GLY A 36 10.652 7.086 -11.508 1.00 1.74 C ATOM 415 O GLY A 36 11.706 6.960 -12.132 1.00 1.77 O ATOM 0 H GLY A 36 10.283 9.400 -9.509 1.00 1.77 H new ATOM 0 HA2 GLY A 36 8.978 8.323 -11.009 1.00 2.19 H new ATOM 0 HA3 GLY A 36 9.955 8.936 -12.328 1.00 2.19 H new ATOM 419 N ASN A 37 10.020 6.064 -10.939 1.00 2.06 N ATOM 420 CA ASN A 37 10.541 4.704 -11.017 1.00 2.08 C ATOM 421 C ASN A 37 9.457 3.733 -11.476 1.00 1.73 C ATOM 422 O ASN A 37 8.321 3.789 -11.007 1.00 1.94 O ATOM 423 CB ASN A 37 11.090 4.266 -9.657 1.00 3.12 C ATOM 424 CG ASN A 37 12.088 5.256 -9.090 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.724 6.166 -8.346 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.357 5.082 -9.441 1.00 4.34 N ATOM 0 H ASN A 37 9.147 6.152 -10.419 1.00 2.06 H new ATOM 0 HA ASN A 37 11.349 4.693 -11.748 1.00 2.08 H new ATOM 0 HB2 ASN A 37 10.264 4.146 -8.956 1.00 3.12 H new ATOM 0 HB3 ASN A 37 11.567 3.291 -9.758 1.00 3.12 H new ATOM 0 HD21 ASN A 37 14.075 5.717 -9.091 1.00 4.34 H new ATOM 0 HD22 ASN A 37 13.614 4.314 -10.060 1.00 4.34 H new ATOM 431 N GLU A 38 9.817 2.845 -12.398 1.00 1.77 N ATOM 432 CA GLU A 38 8.875 1.863 -12.920 1.00 1.76 C ATOM 433 C GLU A 38 8.359 0.958 -11.804 1.00 1.90 C ATOM 434 O GLU A 38 9.114 0.167 -11.241 1.00 2.28 O ATOM 435 CB GLU A 38 9.539 1.019 -14.012 1.00 2.18 C ATOM 436 CG GLU A 38 8.658 0.795 -15.230 1.00 2.12 C ATOM 437 CD GLU A 38 9.446 0.344 -16.443 1.00 2.42 C ATOM 438 OE1 GLU A 38 9.981 1.216 -17.161 1.00 2.88 O ATOM 439 OE2 GLU A 38 9.529 -0.880 -16.677 1.00 2.81 O ATOM 0 H GLU A 38 10.753 2.786 -12.798 1.00 1.77 H new ATOM 0 HA GLU A 38 8.029 2.399 -13.349 1.00 1.76 H new ATOM 0 HB2 GLU A 38 10.461 1.508 -14.326 1.00 2.18 H new ATOM 0 HB3 GLU A 38 9.817 0.052 -13.593 1.00 2.18 H new ATOM 0 HG2 GLU A 38 7.901 0.047 -14.994 1.00 2.12 H new ATOM 0 HG3 GLU A 38 8.130 1.719 -15.467 1.00 2.12 H new ATOM 446 N VAL A 39 7.070 1.078 -11.493 1.00 1.79 N ATOM 447 CA VAL A 39 6.459 0.265 -10.443 1.00 2.04 C ATOM 448 C VAL A 39 4.937 0.388 -10.459 1.00 1.58 C ATOM 449 O VAL A 39 4.388 1.373 -10.954 1.00 1.86 O ATOM 450 CB VAL A 39 6.977 0.652 -9.040 1.00 2.80 C ATOM 451 CG1 VAL A 39 8.239 -0.128 -8.700 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.228 2.152 -8.943 1.00 3.20 C ATOM 0 H VAL A 39 6.430 1.727 -11.951 1.00 1.79 H new ATOM 0 HA VAL A 39 6.742 -0.767 -10.652 1.00 2.04 H new ATOM 0 HB VAL A 39 6.207 0.393 -8.313 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.588 0.159 -7.708 1.00 3.56 H new ATOM 0 HG12 VAL A 39 8.021 -1.196 -8.713 1.00 3.56 H new ATOM 0 HG13 VAL A 39 9.013 0.094 -9.435 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.592 2.396 -7.945 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.973 2.445 -9.683 1.00 3.20 H new ATOM 0 HG23 VAL A 39 6.299 2.689 -9.132 1.00 3.20 H new ATOM 456 N GLU A 40 4.262 -0.622 -9.913 1.00 1.19 N ATOM 457 CA GLU A 40 2.802 -0.635 -9.861 1.00 0.87 C ATOM 458 C GLU A 40 2.315 -0.949 -8.449 1.00 0.72 C ATOM 459 O GLU A 40 2.227 -2.115 -8.057 1.00 0.71 O ATOM 460 CB GLU A 40 2.243 -1.663 -10.846 1.00 0.85 C ATOM 461 CG GLU A 40 0.724 -1.727 -10.861 1.00 0.98 C ATOM 462 CD GLU A 40 0.201 -3.149 -10.906 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.150 -3.729 -12.011 1.00 2.29 O ATOM 464 OE2 GLU A 40 -0.159 -3.683 -9.836 1.00 2.10 O ATOM 0 H GLU A 40 4.704 -1.443 -9.500 1.00 1.19 H new ATOM 0 HA GLU A 40 2.443 0.355 -10.141 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.598 -1.424 -11.848 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.638 -2.647 -10.594 1.00 0.85 H new ATOM 0 HG2 GLU A 40 0.334 -1.228 -9.974 1.00 0.98 H new ATOM 0 HG3 GLU A 40 0.349 -1.178 -11.725 1.00 0.98 H new ATOM 471 N MET A 41 2.008 0.099 -7.686 1.00 0.77 N ATOM 472 CA MET A 41 1.541 -0.062 -6.311 1.00 0.73 C ATOM 473 C MET A 41 0.021 0.037 -6.216 1.00 0.68 C ATOM 474 O MET A 41 -0.562 1.104 -6.415 1.00 0.72 O ATOM 475 CB MET A 41 2.188 0.995 -5.410 1.00 0.88 C ATOM 476 CG MET A 41 2.595 0.469 -4.041 1.00 1.06 C ATOM 477 SD MET A 41 2.904 1.790 -2.854 1.00 1.42 S ATOM 478 CE MET A 41 4.657 2.068 -3.095 1.00 1.11 C ATOM 0 H MET A 41 2.074 1.068 -7.997 1.00 0.77 H new ATOM 0 HA MET A 41 1.833 -1.057 -5.976 1.00 0.73 H new ATOM 0 HB2 MET A 41 3.069 1.396 -5.911 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.491 1.823 -5.278 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.809 -0.182 -3.658 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.493 -0.141 -4.142 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.140 2.204 -2.127 1.00 1.11 H new ATOM 0 HE2 MET A 41 5.095 1.209 -3.602 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.804 2.961 -3.702 1.00 1.11 H new ATOM 488 N THR A 42 -0.616 -1.085 -5.892 1.00 0.81 N ATOM 489 CA THR A 42 -2.067 -1.128 -5.749 1.00 0.79 C ATOM 490 C THR A 42 -2.443 -1.329 -4.285 1.00 0.77 C ATOM 491 O THR A 42 -1.882 -2.190 -3.608 1.00 1.11 O ATOM 492 CB THR A 42 -2.655 -2.252 -6.605 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.318 -2.071 -7.970 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.162 -2.350 -6.513 1.00 1.61 C ATOM 0 H THR A 42 -0.149 -1.976 -5.724 1.00 0.81 H new ATOM 0 HA THR A 42 -2.480 -0.179 -6.092 1.00 0.79 H new ATOM 0 HB THR A 42 -2.224 -3.172 -6.210 1.00 0.95 H new ATOM 0 HG1 THR A 42 -2.493 -1.142 -8.230 1.00 0.97 H new ATOM 0 HG21 THR A 42 -4.513 -3.167 -7.144 1.00 1.61 H new ATOM 0 HG22 THR A 42 -4.452 -2.540 -5.479 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.609 -1.414 -6.849 1.00 1.61 H new ATOM 499 N VAL A 43 -3.381 -0.526 -3.792 1.00 0.65 N ATOM 500 CA VAL A 43 -3.803 -0.629 -2.399 1.00 0.64 C ATOM 501 C VAL A 43 -5.312 -0.464 -2.240 1.00 0.58 C ATOM 502 O VAL A 43 -5.951 0.311 -2.956 1.00 0.71 O ATOM 503 CB VAL A 43 -3.093 0.417 -1.519 1.00 0.75 C ATOM 504 CG1 VAL A 43 -1.631 0.042 -1.312 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.216 1.804 -2.129 1.00 1.51 C ATOM 0 H VAL A 43 -3.859 0.197 -4.330 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.524 -1.631 -2.073 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.580 0.432 -0.544 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -1.147 0.794 -0.688 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -1.570 -0.930 -0.822 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -1.128 -0.006 -2.278 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.708 2.528 -1.492 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -2.759 1.808 -3.119 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -4.269 2.072 -2.214 1.00 1.51 H new ATOM 509 N ARG A 44 -5.869 -1.199 -1.283 1.00 0.55 N ATOM 510 CA ARG A 44 -7.297 -1.146 -1.000 1.00 0.54 C ATOM 511 C ARG A 44 -7.544 -1.154 0.505 1.00 0.57 C ATOM 512 O ARG A 44 -7.119 -2.073 1.207 1.00 0.69 O ATOM 513 CB ARG A 44 -8.013 -2.330 -1.651 1.00 0.61 C ATOM 514 CG ARG A 44 -9.528 -2.252 -1.555 1.00 1.19 C ATOM 515 CD ARG A 44 -10.189 -3.522 -2.069 1.00 1.98 C ATOM 516 NE ARG A 44 -9.999 -3.693 -3.508 1.00 2.48 N ATOM 517 CZ ARG A 44 -8.963 -4.330 -4.054 1.00 3.13 C ATOM 518 NH1 ARG A 44 -8.018 -4.862 -3.289 1.00 3.54 N ATOM 519 NH2 ARG A 44 -8.875 -4.433 -5.373 1.00 3.77 N ATOM 0 H ARG A 44 -5.348 -1.842 -0.687 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.694 -0.220 -1.416 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.726 -2.385 -2.701 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.674 -3.253 -1.180 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.819 -2.084 -0.518 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.886 -1.397 -2.129 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.777 -4.384 -1.544 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -11.255 -3.492 -1.845 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.703 -3.301 -4.133 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -8.081 -4.785 -2.274 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -7.229 -5.347 -3.716 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -9.598 -4.026 -5.966 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -8.084 -4.920 -5.795 1.00 3.77 H new ATOM 533 N ILE A 45 -8.230 -0.129 0.997 1.00 0.55 N ATOM 534 CA ILE A 45 -8.529 -0.027 2.423 1.00 0.61 C ATOM 535 C ILE A 45 -9.993 -0.350 2.701 1.00 0.59 C ATOM 536 O ILE A 45 -10.876 0.479 2.487 1.00 0.60 O ATOM 537 CB ILE A 45 -8.202 1.374 2.992 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.256 2.440 1.894 1.00 0.59 C ATOM 539 CG2 ILE A 45 -6.835 1.365 3.658 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.884 3.827 2.374 1.00 0.63 C ATOM 0 H ILE A 45 -8.589 0.641 0.433 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.892 -0.757 2.922 1.00 0.61 H new ATOM 0 HB ILE A 45 -8.956 1.623 3.739 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -7.583 2.152 1.087 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.262 2.468 1.476 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -6.617 2.357 4.054 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -6.832 0.640 4.472 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -6.075 1.092 2.926 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.945 4.528 1.542 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.572 4.137 3.161 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.867 3.816 2.765 1.00 0.63 H new ATOM 544 N VAL A 46 -10.238 -1.566 3.179 1.00 0.63 N ATOM 545 CA VAL A 46 -11.590 -2.012 3.491 1.00 0.63 C ATOM 546 C VAL A 46 -11.682 -2.505 4.932 1.00 0.64 C ATOM 547 O VAL A 46 -10.671 -2.841 5.548 1.00 0.68 O ATOM 548 CB VAL A 46 -12.037 -3.138 2.537 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.096 -4.329 2.636 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.473 -3.554 2.827 1.00 1.52 C ATOM 0 H VAL A 46 -9.514 -2.262 3.359 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.252 -1.155 3.363 1.00 0.63 H new ATOM 0 HB VAL A 46 -11.997 -2.757 1.516 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.428 -5.113 1.955 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.086 -4.018 2.367 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.098 -4.710 3.657 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.767 -4.349 2.142 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.548 -3.913 3.853 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.134 -2.698 2.693 1.00 1.52 H new ATOM 554 N ASP A 47 -12.901 -2.547 5.464 1.00 0.66 N ATOM 555 CA ASP A 47 -13.125 -2.998 6.835 1.00 0.71 C ATOM 556 C ASP A 47 -12.443 -4.340 7.091 1.00 0.74 C ATOM 557 O ASP A 47 -11.975 -4.998 6.162 1.00 0.81 O ATOM 558 CB ASP A 47 -14.624 -3.115 7.116 1.00 0.75 C ATOM 559 CG ASP A 47 -15.196 -1.853 7.734 1.00 1.35 C ATOM 560 OD1 ASP A 47 -14.465 -1.180 8.491 1.00 1.88 O ATOM 561 OD2 ASP A 47 -16.374 -1.540 7.461 1.00 2.11 O ATOM 0 H ASP A 47 -13.749 -2.274 4.967 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.690 -2.258 7.507 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -15.150 -3.331 6.186 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.801 -3.957 7.785 1.00 0.75 H new ATOM 566 N GLU A 48 -12.390 -4.738 8.358 1.00 0.76 N ATOM 567 CA GLU A 48 -11.765 -5.999 8.739 1.00 0.82 C ATOM 568 C GLU A 48 -12.518 -7.186 8.145 1.00 0.79 C ATOM 569 O GLU A 48 -11.991 -7.905 7.295 1.00 0.83 O ATOM 570 CB GLU A 48 -11.710 -6.124 10.263 1.00 0.92 C ATOM 571 CG GLU A 48 -10.404 -6.706 10.779 1.00 1.39 C ATOM 572 CD GLU A 48 -10.618 -7.775 11.834 1.00 1.59 C ATOM 573 OE1 GLU A 48 -11.659 -8.462 11.779 1.00 2.30 O ATOM 574 OE2 GLU A 48 -9.743 -7.926 12.711 1.00 1.81 O ATOM 0 H GLU A 48 -12.773 -4.205 9.139 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.749 -6.005 8.343 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.859 -5.139 10.706 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -12.535 -6.752 10.598 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -9.845 -7.131 9.945 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -9.794 -5.905 11.197 1.00 1.39 H new ATOM 581 N ALA A 49 -13.751 -7.386 8.599 1.00 0.86 N ATOM 582 CA ALA A 49 -14.575 -8.486 8.115 1.00 0.89 C ATOM 583 C ALA A 49 -14.774 -8.406 6.606 1.00 0.83 C ATOM 584 O ALA A 49 -14.661 -9.407 5.898 1.00 0.80 O ATOM 585 CB ALA A 49 -15.921 -8.490 8.826 1.00 0.99 C ATOM 0 H ALA A 49 -14.201 -6.800 9.302 1.00 0.86 H new ATOM 0 HA ALA A 49 -14.055 -9.418 8.336 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.526 -9.317 8.455 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.766 -8.607 9.898 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.436 -7.549 8.635 1.00 0.99 H new ATOM 591 N GLU A 50 -15.071 -7.205 6.121 1.00 0.87 N ATOM 592 CA GLU A 50 -15.288 -6.982 4.695 1.00 0.88 C ATOM 593 C GLU A 50 -14.114 -7.498 3.870 1.00 0.84 C ATOM 594 O GLU A 50 -14.301 -8.206 2.881 1.00 0.85 O ATOM 595 CB GLU A 50 -15.501 -5.493 4.419 1.00 0.98 C ATOM 596 CG GLU A 50 -16.897 -5.005 4.768 1.00 1.52 C ATOM 597 CD GLU A 50 -17.174 -3.610 4.243 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.601 -3.490 3.075 1.00 1.85 O ATOM 599 OE2 GLU A 50 -16.964 -2.638 4.998 1.00 2.17 O ATOM 0 H GLU A 50 -15.167 -6.368 6.696 1.00 0.87 H new ATOM 0 HA GLU A 50 -16.181 -7.535 4.402 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.771 -4.918 4.989 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.309 -5.296 3.364 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -17.633 -5.697 4.358 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -17.021 -5.013 5.851 1.00 1.52 H new ATOM 606 N SER A 51 -12.904 -7.140 4.285 1.00 0.87 N ATOM 607 CA SER A 51 -11.699 -7.567 3.585 1.00 0.92 C ATOM 608 C SER A 51 -11.570 -9.085 3.608 1.00 0.84 C ATOM 609 O SER A 51 -11.418 -9.724 2.565 1.00 0.83 O ATOM 610 CB SER A 51 -10.462 -6.931 4.223 1.00 1.04 C ATOM 611 OG SER A 51 -10.055 -7.649 5.374 1.00 1.90 O ATOM 0 H SER A 51 -12.732 -6.555 5.103 1.00 0.87 H new ATOM 0 HA SER A 51 -11.774 -7.240 2.548 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.648 -6.907 3.499 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.679 -5.898 4.493 1.00 1.04 H new ATOM 0 HG SER A 51 -10.744 -7.574 6.067 1.00 1.90 H new ATOM 617 N HIS A 52 -11.632 -9.653 4.809 1.00 0.86 N ATOM 618 CA HIS A 52 -11.521 -11.096 4.984 1.00 0.86 C ATOM 619 C HIS A 52 -12.607 -11.823 4.204 1.00 0.83 C ATOM 620 O HIS A 52 -12.409 -12.950 3.752 1.00 0.90 O ATOM 621 CB HIS A 52 -11.599 -11.450 6.467 1.00 0.94 C ATOM 622 CG HIS A 52 -10.582 -10.722 7.288 1.00 0.99 C ATOM 623 ND1 HIS A 52 -10.850 -10.200 8.534 1.00 1.39 N ATOM 624 CD2 HIS A 52 -9.289 -10.424 7.026 1.00 1.61 C ATOM 625 CE1 HIS A 52 -9.764 -9.612 9.003 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.801 -9.734 8.108 1.00 1.39 N ATOM 0 H HIS A 52 -11.759 -9.133 5.677 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.555 -11.418 4.595 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.596 -11.216 6.840 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.457 -12.524 6.588 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -11.746 -10.258 9.018 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -8.742 -10.681 6.131 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -9.678 -9.115 9.958 1.00 1.28 H new ATOM 635 N GLU A 53 -13.747 -11.167 4.028 1.00 0.86 N ATOM 636 CA GLU A 53 -14.848 -11.753 3.277 1.00 0.95 C ATOM 637 C GLU A 53 -14.636 -11.514 1.786 1.00 0.94 C ATOM 638 O GLU A 53 -14.973 -12.354 0.955 1.00 0.95 O ATOM 639 CB GLU A 53 -16.184 -11.150 3.723 1.00 1.10 C ATOM 640 CG GLU A 53 -17.064 -12.124 4.492 1.00 1.68 C ATOM 641 CD GLU A 53 -18.355 -12.446 3.763 1.00 2.38 C ATOM 642 OE1 GLU A 53 -19.205 -11.540 3.634 1.00 3.10 O ATOM 643 OE2 GLU A 53 -18.515 -13.602 3.321 1.00 2.71 O ATOM 0 H GLU A 53 -13.932 -10.233 4.394 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.874 -12.826 3.469 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.989 -10.278 4.347 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.726 -10.799 2.845 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.511 -13.047 4.668 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -17.299 -11.702 5.469 1.00 1.68 H new ATOM 650 N LEU A 54 -14.066 -10.356 1.466 1.00 0.95 N ATOM 651 CA LEU A 54 -13.790 -9.978 0.085 1.00 1.00 C ATOM 652 C LEU A 54 -12.747 -10.898 -0.543 1.00 0.89 C ATOM 653 O LEU A 54 -12.999 -11.538 -1.566 1.00 0.93 O ATOM 654 CB LEU A 54 -13.308 -8.520 0.041 1.00 1.06 C ATOM 655 CG LEU A 54 -12.595 -8.082 -1.247 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.142 -8.523 -1.236 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.313 -8.628 -2.474 1.00 1.24 C ATOM 0 H LEU A 54 -13.784 -9.657 2.153 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.710 -10.077 -0.492 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.169 -7.869 0.195 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.631 -8.357 0.880 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.620 -6.993 -1.294 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.657 -8.202 -2.158 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.632 -8.075 -0.383 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -11.092 -9.609 -1.159 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.791 -8.305 -3.375 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.327 -9.717 -2.433 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.336 -8.253 -2.494 1.00 1.24 H new ATOM 663 N ASN A 55 -11.569 -10.952 0.069 1.00 0.78 N ATOM 664 CA ASN A 55 -10.484 -11.781 -0.437 1.00 0.71 C ATOM 665 C ASN A 55 -10.902 -13.247 -0.511 1.00 0.69 C ATOM 666 O ASN A 55 -10.629 -13.936 -1.499 1.00 0.74 O ATOM 667 CB ASN A 55 -9.249 -11.630 0.454 1.00 0.68 C ATOM 668 CG ASN A 55 -9.546 -11.955 1.906 1.00 1.33 C ATOM 669 OD1 ASN A 55 -10.705 -12.049 2.299 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.503 -12.126 2.716 1.00 1.42 N ATOM 0 H ASN A 55 -11.342 -10.431 0.916 1.00 0.78 H new ATOM 0 HA ASN A 55 -10.241 -11.446 -1.446 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.459 -12.287 0.091 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.873 -10.609 0.381 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.653 -12.343 3.701 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.554 -12.040 2.351 1.00 1.42 H new ATOM 675 N LEU A 56 -11.554 -13.721 0.543 1.00 0.71 N ATOM 676 CA LEU A 56 -11.997 -15.109 0.608 1.00 0.79 C ATOM 677 C LEU A 56 -13.106 -15.409 -0.398 1.00 0.87 C ATOM 678 O LEU A 56 -13.038 -16.395 -1.133 1.00 0.97 O ATOM 679 CB LEU A 56 -12.477 -15.455 2.019 1.00 0.84 C ATOM 680 CG LEU A 56 -11.397 -16.006 2.952 1.00 0.89 C ATOM 681 CD1 LEU A 56 -10.369 -14.933 3.269 1.00 0.91 C ATOM 682 CD2 LEU A 56 -12.023 -16.542 4.231 1.00 0.92 C ATOM 0 H LEU A 56 -11.788 -13.165 1.365 1.00 0.71 H new ATOM 0 HA LEU A 56 -11.137 -15.727 0.352 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.904 -14.560 2.471 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -13.280 -16.188 1.944 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.890 -16.828 2.446 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -9.609 -15.343 3.934 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.899 -14.595 2.345 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.861 -14.091 3.756 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -11.241 -16.930 4.884 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -12.555 -15.738 4.740 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -12.722 -17.342 3.987 1.00 0.92 H new ATOM 688 N THR A 57 -14.137 -14.573 -0.410 1.00 0.93 N ATOM 689 CA THR A 57 -15.270 -14.773 -1.310 1.00 1.09 C ATOM 690 C THR A 57 -14.846 -14.826 -2.777 1.00 1.14 C ATOM 691 O THR A 57 -15.606 -15.295 -3.625 1.00 1.27 O ATOM 692 CB THR A 57 -16.320 -13.674 -1.111 1.00 1.23 C ATOM 693 OG1 THR A 57 -17.555 -14.057 -1.688 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.931 -12.339 -1.713 1.00 1.45 C ATOM 0 H THR A 57 -14.214 -13.752 0.191 1.00 0.93 H new ATOM 0 HA THR A 57 -15.705 -15.740 -1.057 1.00 1.09 H new ATOM 0 HB THR A 57 -16.400 -13.551 -0.031 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.389 -14.552 -2.517 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.724 -11.613 -1.531 1.00 1.45 H new ATOM 0 HG22 THR A 57 -15.006 -11.989 -1.255 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.783 -12.453 -2.787 1.00 1.45 H new ATOM 699 N TYR A 58 -13.650 -14.330 -3.088 1.00 1.08 N ATOM 700 CA TYR A 58 -13.187 -14.324 -4.472 1.00 1.17 C ATOM 701 C TYR A 58 -12.010 -15.278 -4.705 1.00 1.08 C ATOM 702 O TYR A 58 -11.782 -15.705 -5.837 1.00 1.19 O ATOM 703 CB TYR A 58 -12.821 -12.896 -4.904 1.00 1.25 C ATOM 704 CG TYR A 58 -11.337 -12.595 -4.897 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.684 -12.266 -3.718 1.00 1.25 C ATOM 706 CD2 TYR A 58 -10.593 -12.639 -6.070 1.00 1.67 C ATOM 707 CE1 TYR A 58 -9.329 -11.990 -3.705 1.00 1.55 C ATOM 708 CE2 TYR A 58 -9.239 -12.364 -6.066 1.00 2.23 C ATOM 709 CZ TYR A 58 -8.612 -12.041 -4.882 1.00 2.11 C ATOM 710 OH TYR A 58 -7.263 -11.767 -4.874 1.00 2.74 O ATOM 0 H TYR A 58 -12.995 -13.934 -2.414 1.00 1.08 H new ATOM 0 HA TYR A 58 -14.010 -14.686 -5.088 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.208 -12.724 -5.908 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.324 -12.190 -4.243 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.243 -12.225 -2.795 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -11.081 -12.892 -7.000 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -8.835 -11.736 -2.779 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -8.675 -12.402 -6.986 1.00 2.23 H new ATOM 0 HH TYR A 58 -6.907 -11.848 -5.784 1.00 2.74 H new ATOM 720 N ARG A 59 -11.255 -15.606 -3.656 1.00 0.99 N ATOM 721 CA ARG A 59 -10.108 -16.501 -3.830 1.00 0.99 C ATOM 722 C ARG A 59 -9.855 -17.400 -2.616 1.00 0.90 C ATOM 723 O ARG A 59 -9.380 -18.526 -2.767 1.00 0.97 O ATOM 724 CB ARG A 59 -8.851 -15.681 -4.134 1.00 1.05 C ATOM 725 CG ARG A 59 -7.577 -16.511 -4.202 1.00 1.58 C ATOM 726 CD ARG A 59 -6.960 -16.696 -2.825 1.00 1.65 C ATOM 727 NE ARG A 59 -5.504 -16.816 -2.890 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.758 -17.339 -1.919 1.00 2.71 C ATOM 729 NH1 ARG A 59 -5.324 -17.789 -0.806 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.442 -17.413 -2.064 1.00 3.32 N ATOM 0 H ARG A 59 -11.409 -15.277 -2.703 1.00 0.99 H new ATOM 0 HA ARG A 59 -10.347 -17.158 -4.667 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.987 -15.163 -5.083 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.734 -14.915 -3.367 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.799 -17.486 -4.637 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.859 -16.024 -4.862 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -7.226 -15.850 -2.192 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -7.377 -17.588 -2.357 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.032 -16.479 -3.729 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -6.336 -17.735 -0.691 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.747 -18.189 -0.066 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.003 -17.070 -2.918 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.869 -17.813 -1.321 1.00 3.32 H new ATOM 744 N GLY A 60 -10.141 -16.903 -1.419 1.00 0.81 N ATOM 745 CA GLY A 60 -9.899 -17.692 -0.221 1.00 0.80 C ATOM 746 C GLY A 60 -8.548 -17.374 0.391 1.00 0.78 C ATOM 747 O GLY A 60 -7.724 -18.265 0.601 1.00 0.88 O ATOM 0 H GLY A 60 -10.533 -15.976 -1.254 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.685 -17.498 0.509 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.948 -18.753 -0.467 1.00 0.80 H new ATOM 751 N LYS A 61 -8.317 -16.093 0.655 1.00 0.76 N ATOM 752 CA LYS A 61 -7.054 -15.630 1.224 1.00 0.90 C ATOM 753 C LYS A 61 -6.931 -15.989 2.704 1.00 0.95 C ATOM 754 O LYS A 61 -7.679 -16.820 3.218 1.00 1.42 O ATOM 755 CB LYS A 61 -6.927 -14.120 1.020 1.00 1.17 C ATOM 756 CG LYS A 61 -6.301 -13.745 -0.315 1.00 1.31 C ATOM 757 CD LYS A 61 -4.833 -13.380 -0.161 1.00 1.00 C ATOM 758 CE LYS A 61 -3.935 -14.594 -0.337 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.649 -14.441 0.397 1.00 2.13 N ATOM 0 H LYS A 61 -8.994 -15.350 0.483 1.00 0.76 H new ATOM 0 HA LYS A 61 -6.239 -16.136 0.706 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.916 -13.666 1.090 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.325 -13.700 1.826 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -6.398 -14.579 -1.010 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -6.842 -12.904 -0.748 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -4.567 -12.620 -0.896 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.667 -12.943 0.824 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.453 -15.484 0.019 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -3.733 -14.746 -1.397 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -2.064 -15.289 0.253 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -2.143 -13.606 0.040 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -2.841 -14.321 1.412 1.00 2.13 H new ATOM 773 N ASP A 62 -5.962 -15.366 3.375 1.00 1.17 N ATOM 774 CA ASP A 62 -5.702 -15.615 4.791 1.00 1.25 C ATOM 775 C ASP A 62 -6.969 -15.519 5.644 1.00 1.66 C ATOM 776 O ASP A 62 -8.081 -15.425 5.129 1.00 2.50 O ATOM 777 CB ASP A 62 -4.651 -14.628 5.309 1.00 1.84 C ATOM 778 CG ASP A 62 -3.305 -15.284 5.541 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.094 -15.835 6.643 1.00 3.06 O ATOM 780 OD2 ASP A 62 -2.460 -15.249 4.622 1.00 2.95 O ATOM 0 H ASP A 62 -5.338 -14.678 2.954 1.00 1.17 H new ATOM 0 HA ASP A 62 -5.330 -16.636 4.877 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -4.537 -13.815 4.593 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -5.001 -14.185 6.241 1.00 1.84 H new ATOM 785 N ARG A 63 -6.775 -15.540 6.958 1.00 1.71 N ATOM 786 CA ARG A 63 -7.870 -15.455 7.914 1.00 2.49 C ATOM 787 C ARG A 63 -7.868 -14.074 8.568 1.00 2.22 C ATOM 788 O ARG A 63 -7.129 -13.198 8.126 1.00 1.77 O ATOM 789 CB ARG A 63 -7.715 -16.562 8.962 1.00 3.33 C ATOM 790 CG ARG A 63 -8.938 -17.459 9.088 1.00 4.23 C ATOM 791 CD ARG A 63 -8.673 -18.852 8.539 1.00 4.88 C ATOM 792 NE ARG A 63 -9.867 -19.693 8.577 1.00 5.84 N ATOM 793 CZ ARG A 63 -9.840 -21.022 8.507 1.00 6.66 C ATOM 794 NH1 ARG A 63 -8.685 -21.665 8.395 1.00 6.76 N ATOM 795 NH2 ARG A 63 -10.973 -21.712 8.550 1.00 7.66 N ATOM 0 H ARG A 63 -5.854 -15.616 7.389 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.824 -15.592 7.405 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.851 -17.175 8.706 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.507 -16.107 9.931 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.231 -17.530 10.136 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -9.775 -17.010 8.553 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -8.317 -18.775 7.512 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -7.879 -19.324 9.117 1.00 4.88 H new ATOM 0 HE ARG A 63 -10.774 -19.235 8.662 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -7.811 -21.141 8.362 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -8.671 -22.684 8.342 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -11.864 -21.224 8.637 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -10.952 -22.730 8.496 1.00 7.66 H new ATOM 809 N PRO A 64 -8.687 -13.844 9.619 1.00 3.04 N ATOM 810 CA PRO A 64 -8.743 -12.542 10.297 1.00 3.30 C ATOM 811 C PRO A 64 -7.359 -11.943 10.544 1.00 2.79 C ATOM 812 O PRO A 64 -6.816 -12.028 11.645 1.00 3.00 O ATOM 813 CB PRO A 64 -9.437 -12.877 11.613 1.00 4.45 C ATOM 814 CG PRO A 64 -10.362 -13.983 11.249 1.00 4.81 C ATOM 815 CD PRO A 64 -9.626 -14.810 10.228 1.00 4.12 C ATOM 0 HA PRO A 64 -9.259 -11.788 9.702 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.722 -13.187 12.376 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.977 -12.018 12.012 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.622 -14.580 12.123 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -11.295 -13.595 10.840 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -9.100 -15.645 10.691 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -10.305 -15.232 9.487 1.00 4.12 H new ATOM 823 N THR A 65 -6.797 -11.352 9.497 1.00 2.27 N ATOM 824 CA THR A 65 -5.475 -10.743 9.561 1.00 2.01 C ATOM 825 C THR A 65 -5.559 -9.281 10.005 1.00 1.59 C ATOM 826 O THR A 65 -6.582 -8.836 10.526 1.00 1.81 O ATOM 827 CB THR A 65 -4.804 -10.839 8.185 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.417 -10.568 8.281 1.00 2.47 O ATOM 829 CG2 THR A 65 -5.387 -9.885 7.162 1.00 2.82 C ATOM 0 H THR A 65 -7.243 -11.282 8.583 1.00 2.27 H new ATOM 0 HA THR A 65 -4.880 -11.281 10.299 1.00 2.01 H new ATOM 0 HB THR A 65 -4.986 -11.860 7.850 1.00 2.13 H new ATOM 0 HG1 THR A 65 -3.008 -10.636 7.393 1.00 2.47 H new ATOM 0 HG21 THR A 65 -4.866 -10.007 6.213 1.00 2.82 H new ATOM 0 HG22 THR A 65 -6.446 -10.102 7.025 1.00 2.82 H new ATOM 0 HG23 THR A 65 -5.269 -8.860 7.512 1.00 2.82 H new ATOM 834 N ASN A 66 -4.477 -8.542 9.781 1.00 1.36 N ATOM 835 CA ASN A 66 -4.416 -7.128 10.139 1.00 1.09 C ATOM 836 C ASN A 66 -4.258 -6.272 8.888 1.00 0.83 C ATOM 837 O ASN A 66 -4.881 -5.218 8.760 1.00 1.09 O ATOM 838 CB ASN A 66 -3.253 -6.871 11.099 1.00 1.37 C ATOM 839 CG ASN A 66 -3.189 -5.427 11.555 1.00 1.54 C ATOM 840 OD1 ASN A 66 -4.216 -4.799 11.809 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.978 -4.893 11.660 1.00 1.35 N ATOM 0 H ASN A 66 -3.625 -8.901 9.350 1.00 1.36 H new ATOM 0 HA ASN A 66 -5.348 -6.857 10.636 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.353 -7.520 11.969 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -2.316 -7.137 10.610 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -1.872 -3.924 11.962 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.154 -5.451 11.439 1.00 1.35 H new ATOM 846 N VAL A 67 -3.422 -6.741 7.967 1.00 0.71 N ATOM 847 CA VAL A 67 -3.177 -6.030 6.719 1.00 0.79 C ATOM 848 C VAL A 67 -2.708 -6.992 5.632 1.00 0.79 C ATOM 849 O VAL A 67 -1.513 -7.095 5.355 1.00 0.81 O ATOM 850 CB VAL A 67 -2.121 -4.920 6.895 1.00 1.12 C ATOM 851 CG1 VAL A 67 -2.011 -4.082 5.630 1.00 1.59 C ATOM 852 CG2 VAL A 67 -2.455 -4.048 8.095 1.00 1.51 C ATOM 0 H VAL A 67 -2.902 -7.613 8.063 1.00 0.71 H new ATOM 0 HA VAL A 67 -4.121 -5.573 6.423 1.00 0.79 H new ATOM 0 HB VAL A 67 -1.154 -5.390 7.077 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -1.261 -3.304 5.773 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.718 -4.719 4.796 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -2.975 -3.621 5.414 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -1.698 -3.271 8.202 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -3.431 -3.586 7.948 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -2.475 -4.661 8.996 1.00 1.51 H new ATOM 856 N LEU A 68 -3.654 -7.697 5.020 1.00 0.86 N ATOM 857 CA LEU A 68 -3.329 -8.651 3.967 1.00 0.89 C ATOM 858 C LEU A 68 -3.120 -7.937 2.634 1.00 0.81 C ATOM 859 O LEU A 68 -3.690 -6.873 2.393 1.00 0.75 O ATOM 860 CB LEU A 68 -4.429 -9.725 3.867 1.00 0.99 C ATOM 861 CG LEU A 68 -5.427 -9.585 2.708 1.00 1.22 C ATOM 862 CD1 LEU A 68 -5.272 -10.739 1.732 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.856 -9.520 3.235 1.00 1.10 C ATOM 0 H LEU A 68 -4.649 -7.626 5.235 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.393 -9.149 4.219 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -3.947 -10.699 3.785 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -4.990 -9.725 4.801 1.00 0.99 H new ATOM 0 HG LEU A 68 -5.213 -8.655 2.181 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -5.986 -10.625 0.917 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -4.259 -10.741 1.329 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -5.459 -11.680 2.249 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -7.548 -9.421 2.399 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.082 -10.432 3.787 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.961 -8.660 3.897 1.00 1.10 H new ATOM 869 N SER A 69 -2.295 -8.525 1.774 1.00 0.96 N ATOM 870 CA SER A 69 -2.007 -7.941 0.470 1.00 0.97 C ATOM 871 C SER A 69 -2.056 -8.998 -0.626 1.00 0.86 C ATOM 872 O SER A 69 -2.150 -10.193 -0.346 1.00 0.89 O ATOM 873 CB SER A 69 -0.631 -7.273 0.485 1.00 1.18 C ATOM 874 OG SER A 69 -0.253 -6.911 1.801 1.00 1.85 O ATOM 0 H SER A 69 -1.814 -9.406 1.957 1.00 0.96 H new ATOM 0 HA SER A 69 -2.770 -7.192 0.259 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.111 -7.952 0.064 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.647 -6.386 -0.149 1.00 1.18 H new ATOM 0 HG SER A 69 0.424 -6.203 1.764 1.00 1.85 H new ATOM 880 N PHE A 70 -1.989 -8.552 -1.877 1.00 0.81 N ATOM 881 CA PHE A 70 -2.020 -9.463 -3.014 1.00 0.82 C ATOM 882 C PHE A 70 -0.795 -9.267 -3.905 1.00 0.91 C ATOM 883 O PHE A 70 -0.877 -8.629 -4.957 1.00 1.03 O ATOM 884 CB PHE A 70 -3.295 -9.261 -3.836 1.00 0.89 C ATOM 885 CG PHE A 70 -4.561 -9.374 -3.036 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.700 -10.353 -2.064 1.00 1.16 C ATOM 887 CD2 PHE A 70 -5.616 -8.505 -3.261 1.00 1.81 C ATOM 888 CE1 PHE A 70 -5.867 -10.459 -1.331 1.00 1.33 C ATOM 889 CE2 PHE A 70 -6.785 -8.607 -2.530 1.00 2.03 C ATOM 890 CZ PHE A 70 -6.908 -9.586 -1.564 1.00 1.48 C ATOM 0 H PHE A 70 -1.913 -7.566 -2.128 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.009 -10.480 -2.623 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.260 -8.278 -4.306 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.318 -9.997 -4.639 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -3.888 -11.040 -1.878 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -5.524 -7.739 -4.016 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -5.963 -11.225 -0.576 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -7.600 -7.923 -2.714 1.00 2.03 H new ATOM 0 HZ PHE A 70 -7.820 -9.668 -0.991 1.00 1.48 H new ATOM 900 N PRO A 71 0.360 -9.819 -3.493 1.00 0.95 N ATOM 901 CA PRO A 71 1.605 -9.720 -4.251 1.00 1.11 C ATOM 902 C PRO A 71 1.623 -10.688 -5.428 1.00 1.11 C ATOM 903 O PRO A 71 1.205 -11.838 -5.300 1.00 1.14 O ATOM 904 CB PRO A 71 2.694 -10.097 -3.230 1.00 1.18 C ATOM 905 CG PRO A 71 1.987 -10.313 -1.928 1.00 1.13 C ATOM 906 CD PRO A 71 0.550 -10.590 -2.263 1.00 0.95 C ATOM 0 HA PRO A 71 1.744 -8.728 -4.680 1.00 1.11 H new ATOM 0 HB2 PRO A 71 3.223 -10.998 -3.540 1.00 1.18 H new ATOM 0 HB3 PRO A 71 3.437 -9.305 -3.143 1.00 1.18 H new ATOM 0 HG2 PRO A 71 2.426 -11.148 -1.382 1.00 1.13 H new ATOM 0 HG3 PRO A 71 2.074 -9.434 -1.289 1.00 1.13 H new ATOM 0 HD2 PRO A 71 0.367 -11.653 -2.418 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.122 -10.262 -1.470 1.00 0.95 H new ATOM 914 N PHE A 72 2.109 -10.227 -6.575 1.00 1.22 N ATOM 915 CA PHE A 72 2.175 -11.072 -7.760 1.00 1.28 C ATOM 916 C PHE A 72 3.101 -12.263 -7.516 1.00 1.36 C ATOM 917 O PHE A 72 3.979 -12.210 -6.654 1.00 1.47 O ATOM 918 CB PHE A 72 2.642 -10.255 -8.974 1.00 1.36 C ATOM 919 CG PHE A 72 4.124 -10.303 -9.221 1.00 1.05 C ATOM 920 CD1 PHE A 72 5.001 -9.622 -8.393 1.00 1.65 C ATOM 921 CD2 PHE A 72 4.638 -11.035 -10.279 1.00 1.38 C ATOM 922 CE1 PHE A 72 6.363 -9.670 -8.616 1.00 1.83 C ATOM 923 CE2 PHE A 72 5.998 -11.087 -10.508 1.00 1.46 C ATOM 924 CZ PHE A 72 6.863 -10.404 -9.675 1.00 1.39 C ATOM 0 H PHE A 72 2.461 -9.279 -6.709 1.00 1.22 H new ATOM 0 HA PHE A 72 1.177 -11.456 -7.971 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.126 -10.619 -9.862 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.342 -9.216 -8.835 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.615 -9.047 -7.564 1.00 1.65 H new ATOM 0 HD2 PHE A 72 3.966 -11.572 -10.933 1.00 1.38 H new ATOM 0 HE1 PHE A 72 7.037 -9.135 -7.964 1.00 1.83 H new ATOM 0 HE2 PHE A 72 6.385 -11.661 -11.337 1.00 1.46 H new ATOM 0 HZ PHE A 72 7.928 -10.444 -9.851 1.00 1.39 H new ATOM 934 N GLU A 73 2.899 -13.337 -8.274 1.00 1.56 N ATOM 935 CA GLU A 73 3.715 -14.541 -8.132 1.00 1.67 C ATOM 936 C GLU A 73 5.199 -14.223 -8.286 1.00 1.31 C ATOM 937 O GLU A 73 5.741 -14.273 -9.389 1.00 1.43 O ATOM 938 CB GLU A 73 3.299 -15.589 -9.168 1.00 2.21 C ATOM 939 CG GLU A 73 3.480 -17.021 -8.689 1.00 2.25 C ATOM 940 CD GLU A 73 3.697 -17.994 -9.832 1.00 2.36 C ATOM 941 OE1 GLU A 73 4.463 -17.660 -10.760 1.00 2.62 O ATOM 942 OE2 GLU A 73 3.101 -19.091 -9.799 1.00 2.89 O ATOM 0 H GLU A 73 2.178 -13.399 -8.993 1.00 1.56 H new ATOM 0 HA GLU A 73 3.552 -14.939 -7.131 1.00 1.67 H new ATOM 0 HB2 GLU A 73 2.253 -15.432 -9.432 1.00 2.21 H new ATOM 0 HB3 GLU A 73 3.883 -15.442 -10.077 1.00 2.21 H new ATOM 0 HG2 GLU A 73 4.331 -17.068 -8.010 1.00 2.25 H new ATOM 0 HG3 GLU A 73 2.601 -17.324 -8.120 1.00 2.25 H new ATOM 949 N CYS A 74 5.848 -13.894 -7.171 1.00 1.48 N ATOM 950 CA CYS A 74 7.271 -13.564 -7.175 1.00 1.68 C ATOM 951 C CYS A 74 8.103 -14.696 -7.780 1.00 1.76 C ATOM 952 O CYS A 74 8.348 -15.711 -7.127 1.00 2.31 O ATOM 953 CB CYS A 74 7.750 -13.277 -5.751 1.00 2.63 C ATOM 954 SG CYS A 74 9.318 -12.382 -5.668 1.00 3.95 S ATOM 0 H CYS A 74 5.409 -13.849 -6.251 1.00 1.48 H new ATOM 0 HA CYS A 74 7.405 -12.674 -7.790 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.986 -12.699 -5.231 1.00 2.63 H new ATOM 0 HB3 CYS A 74 7.854 -14.221 -5.217 1.00 2.63 H new ATOM 0 HG CYS A 74 9.323 -11.433 -6.556 1.00 3.95 H new ATOM 960 N PRO A 75 8.549 -14.538 -9.040 1.00 1.68 N ATOM 961 CA PRO A 75 9.353 -15.544 -9.734 1.00 2.01 C ATOM 962 C PRO A 75 10.812 -15.525 -9.279 1.00 2.43 C ATOM 963 O PRO A 75 11.117 -15.095 -8.168 1.00 3.08 O ATOM 964 CB PRO A 75 9.243 -15.140 -11.217 1.00 2.13 C ATOM 965 CG PRO A 75 8.273 -14.002 -11.258 1.00 2.21 C ATOM 966 CD PRO A 75 8.311 -13.377 -9.897 1.00 1.89 C ATOM 0 HA PRO A 75 9.002 -16.556 -9.534 1.00 2.01 H new ATOM 0 HB2 PRO A 75 10.213 -14.841 -11.614 1.00 2.13 H new ATOM 0 HB3 PRO A 75 8.893 -15.974 -11.825 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.550 -13.280 -12.026 1.00 2.21 H new ATOM 0 HG3 PRO A 75 7.269 -14.353 -11.498 1.00 2.21 H new ATOM 0 HD2 PRO A 75 9.105 -12.635 -9.810 1.00 1.89 H new ATOM 0 HD3 PRO A 75 7.376 -12.873 -9.652 1.00 1.89 H new ATOM 974 N ASP A 76 11.708 -15.993 -10.145 1.00 2.55 N ATOM 975 CA ASP A 76 13.131 -16.026 -9.825 1.00 3.28 C ATOM 976 C ASP A 76 13.784 -14.671 -10.093 1.00 3.54 C ATOM 977 O ASP A 76 13.942 -13.858 -9.182 1.00 4.33 O ATOM 978 CB ASP A 76 13.831 -17.122 -10.634 1.00 3.70 C ATOM 979 CG ASP A 76 14.022 -18.397 -9.836 1.00 4.37 C ATOM 980 OD1 ASP A 76 14.649 -18.333 -8.757 1.00 4.70 O ATOM 981 OD2 ASP A 76 13.546 -19.458 -10.289 1.00 4.93 O ATOM 0 H ASP A 76 11.474 -16.353 -11.070 1.00 2.55 H new ATOM 0 HA ASP A 76 13.236 -16.249 -8.763 1.00 3.28 H new ATOM 0 HB2 ASP A 76 13.246 -17.340 -11.527 1.00 3.70 H new ATOM 0 HB3 ASP A 76 14.802 -16.758 -10.970 1.00 3.70 H new ATOM 986 N GLU A 77 14.164 -14.433 -11.346 1.00 3.34 N ATOM 987 CA GLU A 77 14.801 -13.176 -11.725 1.00 4.10 C ATOM 988 C GLU A 77 14.131 -12.571 -12.957 1.00 4.12 C ATOM 989 O GLU A 77 14.800 -12.178 -13.912 1.00 4.72 O ATOM 990 CB GLU A 77 16.291 -13.397 -11.996 1.00 4.59 C ATOM 991 CG GLU A 77 17.157 -13.296 -10.750 1.00 5.37 C ATOM 992 CD GLU A 77 18.600 -13.679 -11.011 1.00 6.17 C ATOM 993 OE1 GLU A 77 19.125 -13.320 -12.087 1.00 6.84 O ATOM 994 OE2 GLU A 77 19.206 -14.339 -10.141 1.00 6.39 O ATOM 0 H GLU A 77 14.042 -15.093 -12.114 1.00 3.34 H new ATOM 0 HA GLU A 77 14.688 -12.478 -10.896 1.00 4.10 H new ATOM 0 HB2 GLU A 77 16.428 -14.381 -12.445 1.00 4.59 H new ATOM 0 HB3 GLU A 77 16.632 -12.663 -12.726 1.00 4.59 H new ATOM 0 HG2 GLU A 77 17.119 -12.276 -10.367 1.00 5.37 H new ATOM 0 HG3 GLU A 77 16.748 -13.943 -9.974 1.00 5.37 H new ATOM 1001 N VAL A 78 12.803 -12.503 -12.929 1.00 3.88 N ATOM 1002 CA VAL A 78 12.041 -11.948 -14.046 1.00 4.32 C ATOM 1003 C VAL A 78 12.497 -10.535 -14.388 1.00 4.59 C ATOM 1004 O VAL A 78 12.546 -10.155 -15.558 1.00 4.66 O ATOM 1005 CB VAL A 78 10.529 -11.919 -13.749 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.899 -13.267 -14.059 1.00 3.62 C ATOM 1007 CG2 VAL A 78 10.265 -11.514 -12.305 1.00 4.61 C ATOM 0 H VAL A 78 12.232 -12.824 -12.147 1.00 3.88 H new ATOM 0 HA VAL A 78 12.227 -12.605 -14.896 1.00 4.32 H new ATOM 0 HB VAL A 78 10.069 -11.171 -14.394 1.00 4.22 H new ATOM 0 HG11 VAL A 78 8.831 -13.228 -13.843 1.00 3.62 H new ATOM 0 HG12 VAL A 78 10.048 -13.505 -15.112 1.00 3.62 H new ATOM 0 HG13 VAL A 78 10.365 -14.037 -13.444 1.00 3.62 H new ATOM 0 HG21 VAL A 78 9.191 -11.501 -12.121 1.00 4.61 H new ATOM 0 HG22 VAL A 78 10.739 -12.230 -11.634 1.00 4.61 H new ATOM 0 HG23 VAL A 78 10.676 -10.521 -12.125 1.00 4.61 H new ATOM 1011 N GLU A 79 12.824 -9.756 -13.362 1.00 5.02 N ATOM 1012 CA GLU A 79 13.268 -8.380 -13.558 1.00 5.37 C ATOM 1013 C GLU A 79 12.143 -7.529 -14.138 1.00 4.83 C ATOM 1014 O GLU A 79 12.160 -7.177 -15.318 1.00 5.25 O ATOM 1015 CB GLU A 79 14.492 -8.338 -14.476 1.00 6.47 C ATOM 1016 CG GLU A 79 15.651 -9.187 -13.981 1.00 7.05 C ATOM 1017 CD GLU A 79 16.424 -9.837 -15.112 1.00 7.91 C ATOM 1018 OE1 GLU A 79 15.784 -10.295 -16.082 1.00 8.58 O ATOM 1019 OE2 GLU A 79 17.669 -9.886 -15.029 1.00 8.13 O ATOM 0 H GLU A 79 12.790 -10.054 -12.387 1.00 5.02 H new ATOM 0 HA GLU A 79 13.546 -7.969 -12.587 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.202 -8.677 -15.470 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.826 -7.305 -14.576 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.327 -8.565 -13.394 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.271 -9.961 -13.314 1.00 7.05 H new ATOM 1026 N LEU A 80 11.164 -7.202 -13.299 1.00 4.12 N ATOM 1027 CA LEU A 80 10.026 -6.395 -13.725 1.00 3.69 C ATOM 1028 C LEU A 80 9.523 -5.512 -12.584 1.00 3.19 C ATOM 1029 O LEU A 80 9.649 -5.866 -11.411 1.00 2.62 O ATOM 1030 CB LEU A 80 8.894 -7.295 -14.225 1.00 3.48 C ATOM 1031 CG LEU A 80 8.708 -8.600 -13.448 1.00 3.52 C ATOM 1032 CD1 LEU A 80 8.591 -8.323 -11.957 1.00 4.01 C ATOM 1033 CD2 LEU A 80 7.480 -9.346 -13.948 1.00 3.62 C ATOM 0 H LEU A 80 11.137 -7.484 -12.319 1.00 4.12 H new ATOM 0 HA LEU A 80 10.356 -5.750 -14.540 1.00 3.69 H new ATOM 0 HB2 LEU A 80 7.961 -6.733 -14.188 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.079 -7.537 -15.272 1.00 3.48 H new ATOM 0 HG LEU A 80 9.585 -9.226 -13.613 1.00 3.52 H new ATOM 0 HD11 LEU A 80 8.459 -9.263 -11.421 1.00 4.01 H new ATOM 0 HD12 LEU A 80 9.497 -7.830 -11.606 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.732 -7.677 -11.773 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.362 -10.272 -13.385 1.00 3.62 H new ATOM 0 HD22 LEU A 80 6.596 -8.724 -13.812 1.00 3.62 H new ATOM 0 HD23 LEU A 80 7.601 -9.578 -15.006 1.00 3.62 H new ATOM 1039 N PRO A 81 8.947 -4.344 -12.915 1.00 3.80 N ATOM 1040 CA PRO A 81 8.429 -3.404 -11.923 1.00 3.74 C ATOM 1041 C PRO A 81 6.992 -3.714 -11.513 1.00 2.98 C ATOM 1042 O PRO A 81 6.109 -3.851 -12.360 1.00 3.21 O ATOM 1043 CB PRO A 81 8.495 -2.076 -12.667 1.00 4.99 C ATOM 1044 CG PRO A 81 8.241 -2.435 -14.094 1.00 5.53 C ATOM 1045 CD PRO A 81 8.765 -3.838 -14.290 1.00 4.94 C ATOM 0 HA PRO A 81 8.993 -3.430 -10.991 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.748 -1.375 -12.295 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.468 -1.600 -12.544 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.176 -2.384 -14.322 1.00 5.53 H new ATOM 0 HG3 PRO A 81 8.744 -1.737 -14.764 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.062 -4.452 -14.852 1.00 4.94 H new ATOM 0 HD3 PRO A 81 9.704 -3.840 -14.844 1.00 4.94 H new ATOM 1053 N LEU A 82 6.763 -3.818 -10.205 1.00 2.52 N ATOM 1054 CA LEU A 82 5.432 -4.103 -9.678 1.00 1.87 C ATOM 1055 C LEU A 82 5.450 -4.177 -8.157 1.00 1.58 C ATOM 1056 O LEU A 82 6.472 -4.497 -7.550 1.00 2.06 O ATOM 1057 CB LEU A 82 4.888 -5.415 -10.244 1.00 1.92 C ATOM 1058 CG LEU A 82 5.937 -6.491 -10.506 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.764 -6.752 -9.257 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.277 -7.772 -10.990 1.00 2.10 C ATOM 0 H LEU A 82 7.483 -3.709 -9.491 1.00 2.52 H new ATOM 0 HA LEU A 82 4.780 -3.286 -9.985 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.148 -5.813 -9.550 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.368 -5.202 -11.178 1.00 1.92 H new ATOM 0 HG LEU A 82 6.607 -6.133 -11.288 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.506 -7.523 -9.466 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.269 -5.834 -8.957 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.111 -7.087 -8.451 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.040 -8.528 -11.172 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.582 -8.133 -10.231 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.734 -7.575 -11.914 1.00 2.10 H new ATOM 1066 N LEU A 83 4.311 -3.879 -7.551 1.00 1.15 N ATOM 1067 CA LEU A 83 4.184 -3.911 -6.099 1.00 1.18 C ATOM 1068 C LEU A 83 3.010 -4.787 -5.662 1.00 1.05 C ATOM 1069 O LEU A 83 2.965 -5.253 -4.523 1.00 1.39 O ATOM 1070 CB LEU A 83 4.019 -2.492 -5.555 1.00 1.20 C ATOM 1071 CG LEU A 83 5.327 -1.731 -5.350 1.00 2.03 C ATOM 1072 CD1 LEU A 83 6.225 -2.481 -4.383 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.032 -1.521 -6.681 1.00 2.48 C ATOM 0 H LEU A 83 3.458 -3.611 -8.042 1.00 1.15 H new ATOM 0 HA LEU A 83 5.095 -4.347 -5.690 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.389 -1.926 -6.241 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.490 -2.542 -4.603 1.00 1.20 H new ATOM 0 HG LEU A 83 5.100 -0.754 -4.924 1.00 2.03 H new ATOM 0 HD11 LEU A 83 7.154 -1.928 -4.246 1.00 3.13 H new ATOM 0 HD12 LEU A 83 5.719 -2.585 -3.423 1.00 3.13 H new ATOM 0 HD13 LEU A 83 6.447 -3.469 -4.785 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.963 -0.977 -6.518 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.251 -2.488 -7.133 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.388 -0.947 -7.347 1.00 2.48 H new ATOM 1079 N GLY A 84 2.065 -5.014 -6.572 1.00 0.86 N ATOM 1080 CA GLY A 84 0.912 -5.840 -6.251 1.00 1.17 C ATOM 1081 C GLY A 84 -0.195 -5.068 -5.557 1.00 1.02 C ATOM 1082 O GLY A 84 -0.215 -3.835 -5.584 1.00 0.95 O ATOM 0 H GLY A 84 2.077 -4.643 -7.522 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.521 -6.280 -7.168 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.229 -6.664 -5.612 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.122 -5.796 -4.933 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.239 -5.170 -4.229 1.00 0.88 C ATOM 1088 C ASP A 85 -2.026 -5.204 -2.718 1.00 0.82 C ATOM 1089 O ASP A 85 -1.194 -5.960 -2.217 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.555 -5.865 -4.585 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.674 -4.880 -4.859 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.786 -3.886 -4.113 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -5.439 -5.105 -5.821 1.00 2.12 O ATOM 0 H ASP A 85 -1.121 -6.816 -4.901 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.290 -4.128 -4.546 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.405 -6.493 -5.463 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.847 -6.524 -3.768 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.783 -4.378 -1.998 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.675 -4.312 -0.543 1.00 0.69 C ATOM 1100 C LEU A 86 -4.033 -4.050 0.102 1.00 0.60 C ATOM 1101 O LEU A 86 -4.523 -2.922 0.094 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.694 -3.207 -0.138 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.551 -3.652 0.772 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.508 -2.566 0.857 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.078 -3.997 2.158 1.00 1.10 C ATOM 0 H LEU A 86 -3.477 -3.746 -2.398 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.307 -5.276 -0.191 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.269 -2.772 -1.042 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.250 -2.416 0.365 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.095 -4.546 0.347 1.00 0.94 H new ATOM 0 HD11 LEU A 86 1.317 -2.897 1.509 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.904 -2.365 -0.139 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.065 -1.656 1.262 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.251 -4.312 2.794 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.557 -3.120 2.594 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -1.804 -4.806 2.080 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.629 -5.091 0.676 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.920 -4.953 1.337 1.00 0.59 C ATOM 1113 C VAL A 87 -5.735 -4.550 2.795 1.00 0.66 C ATOM 1114 O VAL A 87 -5.795 -5.386 3.696 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.737 -6.258 1.273 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -8.155 -6.023 1.764 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.742 -6.814 -0.142 1.00 1.15 C ATOM 0 H VAL A 87 -4.240 -6.034 0.696 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.469 -4.175 0.807 1.00 0.59 H new ATOM 0 HB VAL A 87 -6.267 -6.993 1.927 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.717 -6.955 1.712 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -8.129 -5.672 2.796 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.637 -5.273 1.137 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.323 -7.736 -0.169 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.187 -6.084 -0.818 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.719 -7.021 -0.455 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.499 -3.262 3.016 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.294 -2.737 4.361 1.00 0.66 C ATOM 1123 C ILE A 88 -6.623 -2.518 5.078 1.00 0.74 C ATOM 1124 O ILE A 88 -7.668 -2.372 4.443 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.508 -1.409 4.325 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.138 -1.618 3.675 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.352 -0.836 5.726 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.731 -0.489 2.753 1.00 1.94 C ATOM 0 H ILE A 88 -5.445 -2.560 2.278 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.715 -3.480 4.910 1.00 0.66 H new ATOM 0 HB ILE A 88 -5.071 -0.694 3.726 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -2.386 -1.728 4.457 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.150 -2.551 3.111 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.795 0.100 5.676 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.337 -0.650 6.155 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.812 -1.547 6.352 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.751 -0.703 2.327 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.462 -0.393 1.950 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.687 0.443 3.317 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.574 -2.495 6.407 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.768 -2.291 7.216 1.00 0.89 C ATOM 1134 C CYS A 89 -7.876 -0.836 7.661 1.00 0.78 C ATOM 1135 O CYS A 89 -6.904 -0.248 8.134 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.748 -3.215 8.434 1.00 1.12 C ATOM 1137 SG CYS A 89 -9.334 -3.346 9.291 1.00 1.32 S ATOM 0 H CYS A 89 -5.717 -2.616 6.946 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.639 -2.531 6.607 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -7.436 -4.210 8.116 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -6.997 -2.855 9.137 1.00 1.12 H new ATOM 0 HG CYS A 89 -9.168 -3.975 10.416 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.060 -0.258 7.499 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.295 1.132 7.874 1.00 0.91 C ATOM 1145 C ARG A 90 -9.655 1.272 9.355 1.00 0.81 C ATOM 1146 O ARG A 90 -9.838 2.384 9.848 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.411 1.727 7.011 1.00 1.14 C ATOM 1148 CG ARG A 90 -9.901 2.598 5.874 1.00 2.09 C ATOM 1149 CD ARG A 90 -10.224 4.066 6.105 1.00 2.56 C ATOM 1150 NE ARG A 90 -9.107 4.783 6.716 1.00 3.28 N ATOM 1151 CZ ARG A 90 -8.982 6.109 6.705 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -9.900 6.864 6.115 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -7.935 6.681 7.284 1.00 5.12 N ATOM 0 H ARG A 90 -9.875 -0.732 7.109 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.367 1.678 7.704 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -11.010 0.916 6.596 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -11.072 2.320 7.644 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -8.823 2.473 5.775 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -10.347 2.270 4.935 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -10.479 4.535 5.155 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.101 4.148 6.747 1.00 2.56 H new ATOM 0 HE ARG A 90 -8.380 4.236 7.178 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -10.707 6.429 5.667 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -9.799 7.879 6.110 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -7.226 6.105 7.738 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -7.839 7.696 7.276 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.777 0.149 10.057 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.139 0.177 11.471 1.00 0.63 C ATOM 1169 C GLN A 91 -8.909 0.156 12.381 1.00 0.58 C ATOM 1170 O GLN A 91 -8.901 0.793 13.434 1.00 0.58 O ATOM 1171 CB GLN A 91 -11.051 -1.007 11.805 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.329 -0.605 12.522 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.260 0.206 11.643 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -13.006 1.380 11.366 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.346 -0.415 11.197 1.00 1.12 N ATOM 0 H GLN A 91 -9.632 -0.785 9.674 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.668 1.112 11.652 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.310 -1.527 10.883 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.502 -1.714 12.427 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.847 -1.501 12.864 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.076 -0.025 13.410 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.518 -1.388 11.451 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -15.008 0.081 10.601 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.879 -0.586 11.986 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.666 -0.691 12.794 1.00 0.60 C ATOM 1184 C VAL A 92 -5.710 0.478 12.562 1.00 0.55 C ATOM 1185 O VAL A 92 -5.234 1.095 13.518 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.921 -2.015 12.525 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -6.802 -3.204 12.872 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.457 -2.093 11.078 1.00 1.68 C ATOM 0 H VAL A 92 -7.858 -1.121 11.118 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.995 -0.666 13.833 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.038 -2.044 13.164 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -6.259 -4.129 12.676 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -7.074 -3.160 13.927 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -7.706 -3.177 12.263 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -4.935 -3.035 10.914 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.321 -2.036 10.415 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.783 -1.263 10.867 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.423 0.778 11.299 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.511 1.869 10.971 1.00 0.49 C ATOM 1194 C VAL A 93 -5.137 3.221 11.302 1.00 0.54 C ATOM 1195 O VAL A 93 -4.496 4.081 11.909 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.067 1.830 9.484 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.929 0.391 9.005 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.026 2.602 8.587 1.00 0.69 C ATOM 0 H VAL A 93 -5.805 0.286 10.492 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.620 1.735 11.585 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.094 2.317 9.420 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.617 0.384 7.961 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.183 -0.124 9.610 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.888 -0.118 9.101 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.680 2.550 7.555 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.022 2.165 8.658 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.063 3.644 8.906 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.398 3.398 10.919 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.106 4.640 11.197 1.00 0.69 C ATOM 1204 C GLU A 94 -7.218 4.850 12.700 1.00 0.67 C ATOM 1205 O GLU A 94 -7.065 5.966 13.198 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.498 4.621 10.564 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.100 6.005 10.377 1.00 1.31 C ATOM 1208 CD GLU A 94 -10.547 6.077 10.824 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -11.236 5.037 10.774 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -10.990 7.174 11.224 1.00 2.25 O ATOM 0 H GLU A 94 -6.947 2.700 10.418 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.541 5.465 10.763 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.441 4.125 9.595 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.164 4.025 11.188 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -8.513 6.731 10.939 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.034 6.287 9.326 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.471 3.761 13.422 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.586 3.820 14.874 1.00 0.61 C ATOM 1219 C ARG A 95 -6.229 4.135 15.490 1.00 0.70 C ATOM 1220 O ARG A 95 -6.105 5.036 16.321 1.00 0.77 O ATOM 1221 CB ARG A 95 -8.124 2.498 15.424 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.214 2.458 16.941 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.076 1.300 17.418 1.00 1.58 C ATOM 1224 NE ARG A 95 -9.260 1.315 18.867 1.00 2.18 N ATOM 1225 CZ ARG A 95 -10.122 2.110 19.496 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -10.882 2.953 18.808 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -10.226 2.060 20.817 1.00 3.75 N ATOM 0 H ARG A 95 -7.600 2.830 13.025 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.287 4.612 15.137 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -9.114 2.317 15.005 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -7.481 1.685 15.086 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -7.213 2.366 17.364 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.630 3.397 17.307 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -10.049 1.347 16.929 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -8.615 0.358 17.121 1.00 1.58 H new ATOM 0 HE ARG A 95 -8.695 0.679 19.429 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -10.807 2.994 17.792 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.541 3.560 19.296 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -9.646 1.413 21.350 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -10.886 2.669 21.300 1.00 3.75 H new ATOM 1241 N GLU A 96 -5.208 3.397 15.061 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.855 3.610 15.557 1.00 0.86 C ATOM 1243 C GLU A 96 -3.423 5.047 15.291 1.00 0.90 C ATOM 1244 O GLU A 96 -2.832 5.700 16.152 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.882 2.636 14.890 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.537 2.543 15.594 1.00 1.34 C ATOM 1247 CD GLU A 96 -1.298 1.182 16.220 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -2.058 0.809 17.137 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -0.351 0.490 15.791 1.00 2.50 O ATOM 0 H GLU A 96 -5.293 2.649 14.373 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.844 3.429 16.632 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.336 1.646 14.859 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.722 2.945 13.857 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.742 2.755 14.879 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.482 3.309 16.367 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.736 5.534 14.094 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.397 6.898 13.711 1.00 0.92 C ATOM 1258 C ALA A 97 -4.196 7.898 14.536 1.00 1.00 C ATOM 1259 O ALA A 97 -3.650 8.876 15.048 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.653 7.110 12.227 1.00 0.87 C ATOM 0 H ALA A 97 -4.224 5.003 13.373 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.337 7.059 13.907 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.395 8.134 11.956 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.041 6.417 11.650 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.706 6.932 12.010 1.00 0.87 H new ATOM 1266 N SER A 98 -5.494 7.642 14.670 1.00 0.92 N ATOM 1267 CA SER A 98 -6.369 8.513 15.444 1.00 1.01 C ATOM 1268 C SER A 98 -5.925 8.553 16.901 1.00 1.07 C ATOM 1269 O SER A 98 -6.120 9.551 17.595 1.00 1.18 O ATOM 1270 CB SER A 98 -7.819 8.037 15.348 1.00 0.99 C ATOM 1271 OG SER A 98 -8.563 8.842 14.450 1.00 1.50 O ATOM 0 H SER A 98 -5.962 6.838 14.252 1.00 0.92 H new ATOM 0 HA SER A 98 -6.305 9.520 15.031 1.00 1.01 H new ATOM 0 HB2 SER A 98 -7.843 6.999 15.016 1.00 0.99 H new ATOM 0 HB3 SER A 98 -8.281 8.066 16.335 1.00 0.99 H new ATOM 0 HG SER A 98 -9.486 8.515 14.406 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.321 7.459 17.359 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.841 7.368 18.732 1.00 1.13 C ATOM 1279 C GLU A 99 -3.446 7.970 18.853 1.00 1.27 C ATOM 1280 O GLU A 99 -3.073 8.494 19.903 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.824 5.911 19.194 1.00 1.07 C ATOM 1282 CG GLU A 99 -6.156 5.432 19.748 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.999 4.310 20.756 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -4.979 4.298 21.476 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -6.897 3.445 20.827 1.00 2.88 O ATOM 0 H GLU A 99 -5.153 6.624 16.798 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.521 7.932 19.370 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.540 5.276 18.355 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.057 5.790 19.959 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -6.671 6.269 20.219 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -6.786 5.092 18.926 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.680 7.891 17.769 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.327 8.428 17.746 1.00 1.37 C ATOM 1294 C GLN A 100 -1.357 9.957 17.686 1.00 1.48 C ATOM 1295 O GLN A 100 -0.462 10.627 18.200 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.551 7.827 16.558 1.00 1.33 C ATOM 1297 CG GLN A 100 0.068 8.840 15.603 1.00 1.96 C ATOM 1298 CD GLN A 100 1.406 9.360 16.089 1.00 2.38 C ATOM 1299 OE1 GLN A 100 1.591 9.619 17.278 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.350 9.513 15.168 1.00 2.35 N ATOM 0 H GLN A 100 -2.976 7.459 16.894 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.812 8.150 18.665 1.00 1.37 H new ATOM 0 HB2 GLN A 100 0.242 7.190 16.949 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -1.226 7.185 15.992 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.196 8.379 14.624 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.618 9.678 15.474 1.00 1.96 H new ATOM 0 HE21 GLN A 100 2.153 9.286 14.193 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.272 9.858 15.435 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.401 10.497 17.056 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.569 11.944 16.922 1.00 1.59 C ATOM 1309 C GLU A 101 -1.652 12.509 15.841 1.00 1.58 C ATOM 1310 O GLU A 101 -0.879 13.435 16.088 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.308 12.651 18.257 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.011 12.001 19.438 1.00 2.02 C ATOM 1313 CD GLU A 101 -4.472 12.393 19.535 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -5.261 11.965 18.666 1.00 2.68 O ATOM 1315 OE2 GLU A 101 -4.827 13.131 20.479 1.00 2.04 O ATOM 0 H GLU A 101 -3.147 9.949 16.628 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.602 12.128 16.626 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.235 12.666 18.447 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -2.632 13.689 18.178 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -2.935 10.917 19.350 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.501 12.283 20.359 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.748 11.946 14.641 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.933 12.392 13.516 1.00 1.36 C ATOM 1324 C LYS A 102 -1.720 12.295 12.209 1.00 1.24 C ATOM 1325 O LYS A 102 -2.549 11.399 12.041 1.00 1.16 O ATOM 1326 CB LYS A 102 0.346 11.555 13.426 1.00 1.37 C ATOM 1327 CG LYS A 102 1.624 12.377 13.492 1.00 1.77 C ATOM 1328 CD LYS A 102 1.692 13.213 14.760 1.00 2.28 C ATOM 1329 CE LYS A 102 1.625 12.347 16.008 1.00 2.19 C ATOM 1330 NZ LYS A 102 1.616 13.163 17.252 1.00 2.36 N ATOM 0 H LYS A 102 -2.383 11.179 14.422 1.00 1.36 H new ATOM 0 HA LYS A 102 -0.662 13.435 13.679 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.351 10.828 14.238 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.335 10.992 12.493 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.487 11.712 13.448 1.00 1.77 H new ATOM 0 HG3 LYS A 102 1.681 13.031 12.622 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.617 13.790 14.766 1.00 2.28 H new ATOM 0 HD3 LYS A 102 0.870 13.929 14.769 1.00 2.28 H new ATOM 0 HE2 LYS A 102 0.728 11.729 15.973 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.478 11.669 16.025 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 1.774 12.545 18.074 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 2.371 13.877 17.205 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 0.696 13.638 17.349 1.00 2.36 H new ATOM 1344 N PRO A 103 -1.473 13.219 11.263 1.00 1.27 N ATOM 1345 CA PRO A 103 -2.165 13.229 9.970 1.00 1.21 C ATOM 1346 C PRO A 103 -2.152 11.863 9.291 1.00 1.01 C ATOM 1347 O PRO A 103 -1.125 11.185 9.255 1.00 0.97 O ATOM 1348 CB PRO A 103 -1.366 14.242 9.150 1.00 1.28 C ATOM 1349 CG PRO A 103 -0.782 15.164 10.161 1.00 1.36 C ATOM 1350 CD PRO A 103 -0.502 14.325 11.377 1.00 1.42 C ATOM 0 HA PRO A 103 -3.220 13.481 10.075 1.00 1.21 H new ATOM 0 HB2 PRO A 103 -0.588 13.753 8.564 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -2.006 14.777 8.448 1.00 1.28 H new ATOM 0 HG2 PRO A 103 0.132 15.625 9.786 1.00 1.36 H new ATOM 0 HG3 PRO A 103 -1.474 15.973 10.396 1.00 1.36 H new ATOM 0 HD2 PRO A 103 0.525 13.959 11.384 1.00 1.42 H new ATOM 0 HD3 PRO A 103 -0.645 14.891 12.297 1.00 1.42 H new ATOM 1358 N LEU A 104 -3.300 11.466 8.754 1.00 1.00 N ATOM 1359 CA LEU A 104 -3.425 10.180 8.077 1.00 0.93 C ATOM 1360 C LEU A 104 -2.470 10.089 6.888 1.00 0.85 C ATOM 1361 O LEU A 104 -2.147 8.994 6.424 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.868 9.966 7.608 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.710 9.053 8.501 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -5.225 7.615 8.401 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -5.669 9.532 9.944 1.00 1.51 C ATOM 0 H LEU A 104 -4.158 12.017 8.774 1.00 1.00 H new ATOM 0 HA LEU A 104 -3.160 9.398 8.788 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -5.360 10.936 7.540 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.849 9.547 6.602 1.00 1.11 H new ATOM 0 HG LEU A 104 -6.743 9.092 8.156 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -5.835 6.980 9.043 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -5.307 7.274 7.369 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -4.184 7.559 8.720 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -6.274 8.870 10.564 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.639 9.524 10.301 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -6.065 10.546 10.002 1.00 1.51 H new ATOM 1371 N MET A 105 -2.022 11.242 6.395 1.00 0.98 N ATOM 1372 CA MET A 105 -1.104 11.287 5.259 1.00 0.99 C ATOM 1373 C MET A 105 0.061 10.319 5.453 1.00 0.76 C ATOM 1374 O MET A 105 0.190 9.335 4.725 1.00 0.81 O ATOM 1375 CB MET A 105 -0.574 12.711 5.063 1.00 1.22 C ATOM 1376 CG MET A 105 -0.739 13.232 3.643 1.00 1.08 C ATOM 1377 SD MET A 105 -2.148 14.342 3.469 1.00 1.56 S ATOM 1378 CE MET A 105 -3.486 13.268 3.980 1.00 1.27 C ATOM 0 H MET A 105 -2.280 12.157 6.764 1.00 0.98 H new ATOM 0 HA MET A 105 -1.655 10.983 4.369 1.00 0.99 H new ATOM 0 HB2 MET A 105 -1.093 13.380 5.749 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.482 12.737 5.330 1.00 1.22 H new ATOM 0 HG2 MET A 105 0.169 13.755 3.344 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.860 12.389 2.963 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.440 13.722 3.712 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.390 12.304 3.480 1.00 1.27 H new ATOM 0 HE3 MET A 105 -3.444 13.123 5.059 1.00 1.27 H new ATOM 1388 N ALA A 106 0.906 10.606 6.439 1.00 0.70 N ATOM 1389 CA ALA A 106 2.058 9.761 6.729 1.00 0.63 C ATOM 1390 C ALA A 106 1.636 8.314 6.963 1.00 0.54 C ATOM 1391 O ALA A 106 2.351 7.379 6.598 1.00 0.61 O ATOM 1392 CB ALA A 106 2.809 10.296 7.939 1.00 0.84 C ATOM 0 H ALA A 106 0.814 11.417 7.050 1.00 0.70 H new ATOM 0 HA ALA A 106 2.720 9.781 5.863 1.00 0.63 H new ATOM 0 HB1 ALA A 106 3.667 9.657 8.146 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.152 11.310 7.735 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.146 10.305 8.804 1.00 0.84 H new ATOM 1398 N HIS A 107 0.468 8.137 7.575 1.00 0.53 N ATOM 1399 CA HIS A 107 -0.050 6.806 7.859 1.00 0.60 C ATOM 1400 C HIS A 107 -0.210 6.001 6.577 1.00 0.55 C ATOM 1401 O HIS A 107 0.339 4.910 6.452 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.387 6.899 8.595 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.463 6.016 9.801 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -1.056 6.222 11.077 1.00 1.79 N flip ATOM 1405 CD2 HIS A 107 -2.002 4.747 9.774 1.00 1.93 C flip ATOM 1406 CE1 HIS A 107 -1.356 5.086 11.788 1.00 2.26 C flip ATOM 1407 NE2 HIS A 107 -1.926 4.212 10.980 1.00 2.34 N flip ATOM 0 H HIS A 107 -0.136 8.899 7.883 1.00 0.53 H new ATOM 0 HA HIS A 107 0.668 6.293 8.499 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.555 7.932 8.899 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -2.191 6.634 7.908 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -0.610 7.064 11.441 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -2.421 4.265 8.903 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -1.158 4.933 12.838 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.962 6.546 5.624 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.186 5.872 4.350 1.00 0.46 C ATOM 1418 C TRP A 108 0.140 5.586 3.651 1.00 0.43 C ATOM 1419 O TRP A 108 0.435 4.441 3.297 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.085 6.723 3.449 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.525 6.698 3.858 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.284 5.593 4.118 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.383 7.829 4.055 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.560 5.967 4.466 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.646 7.335 4.433 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.205 9.211 3.949 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.724 8.174 4.706 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.275 10.044 4.218 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.520 9.523 4.594 1.00 2.00 C ATOM 0 H TRP A 108 -1.425 7.451 5.710 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.684 4.923 4.548 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.729 7.753 3.460 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -2.000 6.368 2.422 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.933 4.573 4.059 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.319 5.331 4.709 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.248 9.621 3.662 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.685 7.775 4.995 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.149 11.114 4.137 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.336 10.200 4.800 1.00 2.00 H new ATOM 1440 N ALA A 109 0.943 6.633 3.465 1.00 0.47 N ATOM 1441 CA ALA A 109 2.246 6.496 2.822 1.00 0.51 C ATOM 1442 C ALA A 109 3.058 5.393 3.489 1.00 0.49 C ATOM 1443 O ALA A 109 3.696 4.581 2.818 1.00 0.64 O ATOM 1444 CB ALA A 109 3.000 7.817 2.868 1.00 0.62 C ATOM 0 H ALA A 109 0.713 7.585 3.751 1.00 0.47 H new ATOM 0 HA ALA A 109 2.090 6.223 1.778 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.970 7.699 2.385 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.425 8.582 2.347 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.146 8.117 3.906 1.00 0.62 H new ATOM 1450 N HIS A 110 3.013 5.359 4.817 1.00 0.44 N ATOM 1451 CA HIS A 110 3.728 4.343 5.576 1.00 0.53 C ATOM 1452 C HIS A 110 3.024 2.999 5.431 1.00 0.60 C ATOM 1453 O HIS A 110 3.666 1.957 5.308 1.00 0.86 O ATOM 1454 CB HIS A 110 3.810 4.736 7.052 1.00 0.57 C ATOM 1455 CG HIS A 110 4.785 3.915 7.837 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.992 3.488 7.327 1.00 1.58 N ATOM 1457 CD2 HIS A 110 4.724 3.439 9.104 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.633 2.787 8.245 1.00 1.93 C ATOM 1459 NE2 HIS A 110 5.885 2.743 9.333 1.00 2.16 N ATOM 0 H HIS A 110 2.489 6.023 5.388 1.00 0.44 H new ATOM 0 HA HIS A 110 4.741 4.261 5.183 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.091 5.787 7.125 1.00 0.57 H new ATOM 0 HB3 HIS A 110 2.821 4.639 7.501 1.00 0.57 H new ATOM 0 HD2 HIS A 110 3.913 3.581 9.803 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.603 2.328 8.126 1.00 1.93 H new ATOM 0 HE2 HIS A 110 6.130 2.269 10.202 1.00 2.16 H new ATOM 1468 N MET A 111 1.694 3.041 5.436 1.00 0.50 N ATOM 1469 CA MET A 111 0.877 1.842 5.297 1.00 0.59 C ATOM 1470 C MET A 111 1.245 1.079 4.031 1.00 0.59 C ATOM 1471 O MET A 111 1.667 -0.077 4.087 1.00 0.78 O ATOM 1472 CB MET A 111 -0.606 2.222 5.257 1.00 0.63 C ATOM 1473 CG MET A 111 -1.502 1.293 6.057 1.00 1.24 C ATOM 1474 SD MET A 111 -1.033 1.200 7.794 1.00 2.04 S ATOM 1475 CE MET A 111 -0.934 -0.573 8.009 1.00 1.59 C ATOM 0 H MET A 111 1.157 3.902 5.536 1.00 0.50 H new ATOM 0 HA MET A 111 1.065 1.199 6.157 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.721 3.237 5.637 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.941 2.230 4.220 1.00 0.63 H new ATOM 0 HG2 MET A 111 -2.534 1.636 5.981 1.00 1.24 H new ATOM 0 HG3 MET A 111 -1.465 0.295 5.621 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.736 -0.905 8.669 1.00 1.59 H new ATOM 0 HE2 MET A 111 -1.035 -1.063 7.041 1.00 1.59 H new ATOM 0 HE3 MET A 111 0.029 -0.833 8.449 1.00 1.59 H new ATOM 1485 N VAL A 112 1.075 1.733 2.888 1.00 0.51 N ATOM 1486 CA VAL A 112 1.380 1.120 1.601 1.00 0.58 C ATOM 1487 C VAL A 112 2.757 0.456 1.600 1.00 0.64 C ATOM 1488 O VAL A 112 2.901 -0.695 1.188 1.00 0.78 O ATOM 1489 CB VAL A 112 1.319 2.156 0.460 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.121 2.555 0.177 1.00 1.46 C ATOM 1491 CG2 VAL A 112 2.158 3.379 0.797 1.00 1.42 C ATOM 0 H VAL A 112 0.727 2.690 2.826 1.00 0.51 H new ATOM 0 HA VAL A 112 0.622 0.355 1.435 1.00 0.58 H new ATOM 0 HB VAL A 112 1.731 1.698 -0.439 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.144 3.286 -0.631 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -0.692 1.674 -0.115 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.561 2.991 1.074 1.00 1.46 H new ATOM 0 HG21 VAL A 112 2.100 4.096 -0.022 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.780 3.839 1.710 1.00 1.42 H new ATOM 0 HG23 VAL A 112 3.196 3.079 0.944 1.00 1.42 H new ATOM 1495 N VAL A 113 3.768 1.189 2.057 1.00 0.61 N ATOM 1496 CA VAL A 113 5.131 0.671 2.095 1.00 0.72 C ATOM 1497 C VAL A 113 5.296 -0.446 3.126 1.00 0.82 C ATOM 1498 O VAL A 113 6.078 -1.373 2.917 1.00 1.03 O ATOM 1499 CB VAL A 113 6.148 1.791 2.399 1.00 0.73 C ATOM 1500 CG1 VAL A 113 5.876 2.409 3.761 1.00 0.97 C ATOM 1501 CG2 VAL A 113 7.572 1.258 2.321 1.00 0.63 C ATOM 0 H VAL A 113 3.669 2.142 2.406 1.00 0.61 H new ATOM 0 HA VAL A 113 5.327 0.260 1.105 1.00 0.72 H new ATOM 0 HB VAL A 113 6.035 2.570 1.645 1.00 0.73 H new ATOM 0 HG11 VAL A 113 6.604 3.196 3.955 1.00 0.97 H new ATOM 0 HG12 VAL A 113 4.872 2.832 3.774 1.00 0.97 H new ATOM 0 HG13 VAL A 113 5.957 1.642 4.531 1.00 0.97 H new ATOM 0 HG21 VAL A 113 8.274 2.063 2.538 1.00 0.63 H new ATOM 0 HG22 VAL A 113 7.701 0.457 3.049 1.00 0.63 H new ATOM 0 HG23 VAL A 113 7.762 0.872 1.319 1.00 0.63 H new ATOM 1505 N HIS A 114 4.572 -0.357 4.238 1.00 0.75 N ATOM 1506 CA HIS A 114 4.669 -1.371 5.284 1.00 0.85 C ATOM 1507 C HIS A 114 4.177 -2.727 4.781 1.00 0.96 C ATOM 1508 O HIS A 114 4.862 -3.740 4.919 1.00 1.08 O ATOM 1509 CB HIS A 114 3.883 -0.933 6.532 1.00 0.89 C ATOM 1510 CG HIS A 114 2.685 -1.784 6.842 1.00 0.99 C ATOM 1511 ND1 HIS A 114 2.767 -2.985 7.516 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.374 -1.606 6.553 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.558 -3.509 7.626 1.00 1.30 C ATOM 1514 NE2 HIS A 114 0.696 -2.691 7.051 1.00 1.36 N ATOM 0 H HIS A 114 3.917 0.399 4.438 1.00 0.75 H new ATOM 0 HA HIS A 114 5.719 -1.478 5.558 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.554 -0.945 7.391 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.556 0.098 6.397 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.626 -3.403 7.874 1.00 1.39 H new ATOM 0 HD2 HIS A 114 0.942 -0.767 6.028 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.317 -4.447 8.105 1.00 1.30 H new ATOM 1523 N GLY A 115 2.980 -2.735 4.211 1.00 1.03 N ATOM 1524 CA GLY A 115 2.404 -3.967 3.709 1.00 1.18 C ATOM 1525 C GLY A 115 2.986 -4.397 2.377 1.00 1.20 C ATOM 1526 O GLY A 115 3.295 -5.571 2.182 1.00 1.36 O ATOM 0 H GLY A 115 2.396 -1.908 4.087 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.562 -4.759 4.441 1.00 1.18 H new ATOM 0 HA3 GLY A 115 1.326 -3.841 3.604 1.00 1.18 H new ATOM 1530 N SER A 116 3.127 -3.453 1.453 1.00 1.17 N ATOM 1531 CA SER A 116 3.664 -3.756 0.128 1.00 1.26 C ATOM 1532 C SER A 116 5.001 -4.489 0.220 1.00 1.36 C ATOM 1533 O SER A 116 5.278 -5.391 -0.571 1.00 1.63 O ATOM 1534 CB SER A 116 3.827 -2.472 -0.685 1.00 1.31 C ATOM 1535 OG SER A 116 4.091 -2.764 -2.046 1.00 1.72 O ATOM 0 H SER A 116 2.878 -2.474 1.595 1.00 1.17 H new ATOM 0 HA SER A 116 2.954 -4.412 -0.375 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.921 -1.870 -0.607 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.641 -1.877 -0.272 1.00 1.31 H new ATOM 0 HG SER A 116 3.287 -3.139 -2.462 1.00 1.72 H new ATOM 1541 N LEU A 117 5.827 -4.093 1.180 1.00 1.28 N ATOM 1542 CA LEU A 117 7.137 -4.710 1.364 1.00 1.49 C ATOM 1543 C LEU A 117 7.045 -5.982 2.207 1.00 1.69 C ATOM 1544 O LEU A 117 7.391 -7.069 1.750 1.00 1.94 O ATOM 1545 CB LEU A 117 8.097 -3.703 2.013 1.00 1.49 C ATOM 1546 CG LEU A 117 9.187 -4.298 2.912 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.068 -5.258 2.126 1.00 2.07 C ATOM 1548 CD2 LEU A 117 10.027 -3.191 3.533 1.00 2.38 C ATOM 0 H LEU A 117 5.614 -3.348 1.843 1.00 1.28 H new ATOM 0 HA LEU A 117 7.521 -4.995 0.384 1.00 1.49 H new ATOM 0 HB2 LEU A 117 8.579 -3.129 1.222 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.510 -3.000 2.604 1.00 1.49 H new ATOM 0 HG LEU A 117 8.703 -4.857 3.713 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.835 -5.669 2.783 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.458 -6.069 1.729 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.543 -4.725 1.303 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.796 -3.631 4.168 1.00 2.38 H new ATOM 0 HD22 LEU A 117 10.499 -2.606 2.744 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.388 -2.542 4.133 1.00 2.38 H new ATOM 1554 N HIS A 118 6.597 -5.830 3.447 1.00 1.70 N ATOM 1555 CA HIS A 118 6.479 -6.957 4.369 1.00 2.04 C ATOM 1556 C HIS A 118 5.786 -8.161 3.729 1.00 2.25 C ATOM 1557 O HIS A 118 6.025 -9.301 4.127 1.00 2.60 O ATOM 1558 CB HIS A 118 5.716 -6.530 5.622 1.00 2.10 C ATOM 1559 CG HIS A 118 5.998 -7.387 6.816 1.00 2.30 C ATOM 1560 ND1 HIS A 118 7.221 -7.982 7.044 1.00 2.63 N ATOM 1561 CD2 HIS A 118 5.207 -7.749 7.854 1.00 2.93 C ATOM 1562 CE1 HIS A 118 7.169 -8.674 8.170 1.00 3.13 C ATOM 1563 NE2 HIS A 118 5.958 -8.548 8.680 1.00 3.28 N ATOM 0 H HIS A 118 6.308 -4.934 3.840 1.00 1.70 H new ATOM 0 HA HIS A 118 7.491 -7.263 4.635 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.971 -5.497 5.858 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.647 -6.554 5.412 1.00 2.10 H new ATOM 0 HD2 HIS A 118 4.177 -7.462 8.004 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.979 -9.245 8.599 1.00 3.13 H new ATOM 0 HE2 HIS A 118 5.633 -8.975 9.547 1.00 3.28 H new ATOM 1572 N LEU A 119 4.915 -7.910 2.757 1.00 2.15 N ATOM 1573 CA LEU A 119 4.186 -8.994 2.101 1.00 2.45 C ATOM 1574 C LEU A 119 4.811 -9.399 0.767 1.00 2.53 C ATOM 1575 O LEU A 119 4.717 -10.558 0.365 1.00 2.98 O ATOM 1576 CB LEU A 119 2.724 -8.599 1.890 1.00 2.52 C ATOM 1577 CG LEU A 119 1.824 -8.773 3.117 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.587 -7.437 3.803 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.503 -9.416 2.723 1.00 2.27 C ATOM 0 H LEU A 119 4.697 -6.977 2.408 1.00 2.15 H new ATOM 0 HA LEU A 119 4.243 -9.858 2.763 1.00 2.45 H new ATOM 0 HB2 LEU A 119 2.687 -7.556 1.575 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.317 -9.193 1.072 1.00 2.52 H new ATOM 0 HG LEU A 119 2.330 -9.433 3.822 1.00 2.47 H new ATOM 0 HD11 LEU A 119 0.945 -7.583 4.672 1.00 3.30 H new ATOM 0 HD12 LEU A 119 2.541 -7.018 4.123 1.00 3.30 H new ATOM 0 HD13 LEU A 119 1.104 -6.751 3.107 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.123 -9.532 3.607 1.00 2.27 H new ATOM 0 HD22 LEU A 119 -0.007 -8.783 1.997 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.692 -10.395 2.282 1.00 2.27 H new ATOM 1585 N LEU A 120 5.426 -8.450 0.068 1.00 2.25 N ATOM 1586 CA LEU A 120 6.028 -8.747 -1.228 1.00 2.47 C ATOM 1587 C LEU A 120 7.552 -8.857 -1.142 1.00 2.57 C ATOM 1588 O LEU A 120 8.135 -9.818 -1.645 1.00 3.07 O ATOM 1589 CB LEU A 120 5.596 -7.697 -2.266 1.00 2.62 C ATOM 1590 CG LEU A 120 6.669 -6.701 -2.725 1.00 2.70 C ATOM 1591 CD1 LEU A 120 7.651 -7.370 -3.676 1.00 3.20 C ATOM 1592 CD2 LEU A 120 6.020 -5.498 -3.390 1.00 2.88 C ATOM 0 H LEU A 120 5.520 -7.481 0.372 1.00 2.25 H new ATOM 0 HA LEU A 120 5.665 -9.723 -1.551 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.220 -8.221 -3.145 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.762 -7.131 -1.851 1.00 2.62 H new ATOM 0 HG LEU A 120 7.221 -6.360 -1.849 1.00 2.70 H new ATOM 0 HD11 LEU A 120 8.404 -6.647 -3.990 1.00 3.20 H new ATOM 0 HD12 LEU A 120 8.138 -8.204 -3.169 1.00 3.20 H new ATOM 0 HD13 LEU A 120 7.116 -7.739 -4.551 1.00 3.20 H new ATOM 0 HD21 LEU A 120 6.792 -4.799 -3.711 1.00 2.88 H new ATOM 0 HD22 LEU A 120 5.446 -5.827 -4.256 1.00 2.88 H new ATOM 0 HD23 LEU A 120 5.356 -5.004 -2.680 1.00 2.88 H new ATOM 1598 N GLY A 121 8.198 -7.878 -0.514 1.00 2.56 N ATOM 1599 CA GLY A 121 9.645 -7.918 -0.399 1.00 3.27 C ATOM 1600 C GLY A 121 10.337 -6.965 -1.355 1.00 3.49 C ATOM 1601 O GLY A 121 10.973 -7.398 -2.316 1.00 4.12 O ATOM 0 H GLY A 121 7.751 -7.066 -0.087 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.931 -7.671 0.623 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.992 -8.933 -0.590 1.00 3.27 H new ATOM 1605 N TYR A 122 10.202 -5.663 -1.097 1.00 3.41 N ATOM 1606 CA TYR A 122 10.809 -4.626 -1.940 1.00 4.05 C ATOM 1607 C TYR A 122 12.196 -5.026 -2.449 1.00 4.04 C ATOM 1608 O TYR A 122 12.621 -4.585 -3.517 1.00 4.29 O ATOM 1609 CB TYR A 122 10.910 -3.305 -1.173 1.00 4.92 C ATOM 1610 CG TYR A 122 9.719 -2.388 -1.369 1.00 4.99 C ATOM 1611 CD1 TYR A 122 8.420 -2.857 -1.216 1.00 5.07 C ATOM 1612 CD2 TYR A 122 9.896 -1.052 -1.705 1.00 5.29 C ATOM 1613 CE1 TYR A 122 7.334 -2.021 -1.393 1.00 5.49 C ATOM 1614 CE2 TYR A 122 8.814 -0.209 -1.881 1.00 5.72 C ATOM 1615 CZ TYR A 122 7.536 -0.699 -1.725 1.00 5.83 C ATOM 1616 OH TYR A 122 6.457 0.138 -1.900 1.00 6.50 O ATOM 0 H TYR A 122 9.674 -5.297 -0.305 1.00 3.41 H new ATOM 0 HA TYR A 122 10.158 -4.504 -2.806 1.00 4.05 H new ATOM 0 HB2 TYR A 122 11.019 -3.521 -0.110 1.00 4.92 H new ATOM 0 HB3 TYR A 122 11.814 -2.782 -1.486 1.00 4.92 H new ATOM 0 HD1 TYR A 122 8.256 -3.892 -0.954 1.00 5.07 H new ATOM 0 HD2 TYR A 122 10.896 -0.665 -1.831 1.00 5.29 H new ATOM 0 HE1 TYR A 122 6.331 -2.402 -1.272 1.00 5.49 H new ATOM 0 HE2 TYR A 122 8.970 0.828 -2.139 1.00 5.72 H new ATOM 0 HH TYR A 122 6.589 0.955 -1.376 1.00 6.50 H new ATOM 1626 N ASP A 123 12.900 -5.857 -1.686 1.00 4.20 N ATOM 1627 CA ASP A 123 14.237 -6.309 -2.067 1.00 4.65 C ATOM 1628 C ASP A 123 14.196 -7.270 -3.262 1.00 4.02 C ATOM 1629 O ASP A 123 14.901 -8.279 -3.278 1.00 4.67 O ATOM 1630 CB ASP A 123 14.923 -6.985 -0.878 1.00 5.43 C ATOM 1631 CG ASP A 123 16.433 -6.867 -0.938 1.00 6.23 C ATOM 1632 OD1 ASP A 123 17.041 -7.484 -1.839 1.00 6.82 O ATOM 1633 OD2 ASP A 123 17.008 -6.160 -0.085 1.00 6.57 O ATOM 0 H ASP A 123 12.567 -6.233 -0.798 1.00 4.20 H new ATOM 0 HA ASP A 123 14.808 -5.430 -2.367 1.00 4.65 H new ATOM 0 HB2 ASP A 123 14.563 -6.537 0.048 1.00 5.43 H new ATOM 0 HB3 ASP A 123 14.644 -8.038 -0.852 1.00 5.43 H new ATOM 1638 N HIS A 124 13.372 -6.951 -4.261 1.00 2.97 N ATOM 1639 CA HIS A 124 13.248 -7.782 -5.454 1.00 2.45 C ATOM 1640 C HIS A 124 14.599 -7.927 -6.153 1.00 2.10 C ATOM 1641 O HIS A 124 15.643 -7.660 -5.557 1.00 2.45 O ATOM 1642 CB HIS A 124 12.223 -7.167 -6.411 1.00 2.23 C ATOM 1643 CG HIS A 124 11.053 -8.057 -6.698 1.00 2.36 C ATOM 1644 ND1 HIS A 124 9.866 -7.986 -6.000 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.887 -9.035 -7.621 1.00 2.98 C ATOM 1646 CE1 HIS A 124 9.021 -8.883 -6.479 1.00 2.83 C ATOM 1647 NE2 HIS A 124 9.616 -9.532 -7.463 1.00 3.06 N ATOM 0 H HIS A 124 12.780 -6.120 -4.265 1.00 2.97 H new ATOM 0 HA HIS A 124 12.909 -8.774 -5.154 1.00 2.45 H new ATOM 0 HB2 HIS A 124 11.860 -6.231 -5.987 1.00 2.23 H new ATOM 0 HB3 HIS A 124 12.719 -6.920 -7.350 1.00 2.23 H new ATOM 0 HD2 HIS A 124 11.618 -9.363 -8.346 1.00 2.98 H new ATOM 0 HE1 HIS A 124 8.015 -9.056 -6.126 1.00 2.83 H new ATOM 0 HE2 HIS A 124 9.199 -10.281 -8.016 1.00 3.06 H new ATOM 1656 N ILE A 125 14.576 -8.350 -7.418 1.00 1.91 N ATOM 1657 CA ILE A 125 15.804 -8.526 -8.193 1.00 2.11 C ATOM 1658 C ILE A 125 16.761 -7.354 -7.985 1.00 2.10 C ATOM 1659 O ILE A 125 16.362 -6.296 -7.501 1.00 1.90 O ATOM 1660 CB ILE A 125 15.515 -8.680 -9.700 1.00 2.32 C ATOM 1661 CG1 ILE A 125 14.742 -7.460 -10.230 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.762 -9.978 -9.966 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.231 -7.601 -10.194 1.00 3.27 C ATOM 0 H ILE A 125 13.721 -8.577 -7.927 1.00 1.91 H new ATOM 0 HA ILE A 125 16.270 -9.443 -7.831 1.00 2.11 H new ATOM 0 HB ILE A 125 16.463 -8.728 -10.237 1.00 2.32 H new ATOM 0 HG12 ILE A 125 15.026 -6.585 -9.645 1.00 2.52 H new ATOM 0 HG13 ILE A 125 15.051 -7.270 -11.258 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.565 -10.072 -11.034 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.364 -10.823 -9.632 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.817 -9.968 -9.423 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.771 -6.694 -10.586 1.00 3.27 H new ATOM 0 HD12 ILE A 125 12.930 -8.453 -10.804 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.905 -7.758 -9.166 1.00 3.27 H new ATOM 1667 N GLU A 126 18.026 -7.553 -8.340 1.00 2.54 N ATOM 1668 CA GLU A 126 19.036 -6.514 -8.173 1.00 2.75 C ATOM 1669 C GLU A 126 19.406 -5.852 -9.501 1.00 2.70 C ATOM 1670 O GLU A 126 20.300 -5.008 -9.546 1.00 2.83 O ATOM 1671 CB GLU A 126 20.291 -7.101 -7.524 1.00 3.67 C ATOM 1672 CG GLU A 126 20.998 -8.130 -8.392 1.00 4.39 C ATOM 1673 CD GLU A 126 21.650 -9.232 -7.578 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.430 -8.907 -6.658 1.00 6.01 O ATOM 1675 OE2 GLU A 126 21.378 -10.418 -7.860 1.00 5.87 O ATOM 0 H GLU A 126 18.376 -8.422 -8.744 1.00 2.54 H new ATOM 0 HA GLU A 126 18.608 -5.747 -7.527 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.985 -6.292 -7.296 1.00 3.67 H new ATOM 0 HB3 GLU A 126 20.018 -7.564 -6.576 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.280 -8.571 -9.084 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.757 -7.631 -8.995 1.00 4.39 H new ATOM 1682 N ASP A 127 18.730 -6.237 -10.579 1.00 2.79 N ATOM 1683 CA ASP A 127 19.022 -5.666 -11.890 1.00 3.14 C ATOM 1684 C ASP A 127 18.198 -4.408 -12.156 1.00 2.88 C ATOM 1685 O ASP A 127 18.736 -3.301 -12.194 1.00 3.08 O ATOM 1686 CB ASP A 127 18.758 -6.700 -12.985 1.00 3.66 C ATOM 1687 CG ASP A 127 19.635 -7.929 -12.844 1.00 4.67 C ATOM 1688 OD1 ASP A 127 19.851 -8.375 -11.697 1.00 5.29 O ATOM 1689 OD2 ASP A 127 20.107 -8.443 -13.879 1.00 5.15 O ATOM 0 H ASP A 127 17.985 -6.934 -10.573 1.00 2.79 H new ATOM 0 HA ASP A 127 20.075 -5.385 -11.899 1.00 3.14 H new ATOM 0 HB2 ASP A 127 17.710 -6.999 -12.953 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.930 -6.244 -13.960 1.00 3.66 H new ATOM 1694 N ASP A 128 16.895 -4.584 -12.350 1.00 2.70 N ATOM 1695 CA ASP A 128 16.004 -3.460 -12.623 1.00 2.87 C ATOM 1696 C ASP A 128 15.290 -2.982 -11.362 1.00 2.37 C ATOM 1697 O ASP A 128 15.614 -1.932 -10.807 1.00 2.51 O ATOM 1698 CB ASP A 128 14.973 -3.848 -13.686 1.00 3.34 C ATOM 1699 CG ASP A 128 15.607 -4.099 -15.040 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.535 -4.931 -15.117 1.00 4.15 O ATOM 1701 OD2 ASP A 128 15.174 -3.464 -16.024 1.00 4.30 O ATOM 0 H ASP A 128 16.432 -5.493 -12.323 1.00 2.70 H new ATOM 0 HA ASP A 128 16.618 -2.639 -12.992 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.443 -4.744 -13.364 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.232 -3.054 -13.776 1.00 3.34 H new ATOM 1706 N GLU A 129 14.301 -3.759 -10.933 1.00 2.02 N ATOM 1707 CA GLU A 129 13.502 -3.437 -9.752 1.00 1.94 C ATOM 1708 C GLU A 129 14.356 -2.921 -8.594 1.00 1.62 C ATOM 1709 O GLU A 129 13.881 -2.145 -7.764 1.00 1.65 O ATOM 1710 CB GLU A 129 12.712 -4.668 -9.307 1.00 2.14 C ATOM 1711 CG GLU A 129 11.756 -4.393 -8.161 1.00 3.04 C ATOM 1712 CD GLU A 129 10.631 -3.454 -8.554 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.923 -2.285 -8.885 1.00 4.72 O ATOM 1714 OE2 GLU A 129 9.461 -3.887 -8.529 1.00 4.68 O ATOM 0 H GLU A 129 14.030 -4.629 -11.392 1.00 2.02 H new ATOM 0 HA GLU A 129 12.817 -2.637 -10.032 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.147 -5.054 -10.156 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.411 -5.449 -9.007 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.333 -5.335 -7.811 1.00 3.04 H new ATOM 0 HG3 GLU A 129 12.309 -3.962 -7.326 1.00 3.04 H new ATOM 1721 N ALA A 130 15.610 -3.355 -8.533 1.00 1.57 N ATOM 1722 CA ALA A 130 16.515 -2.934 -7.466 1.00 1.56 C ATOM 1723 C ALA A 130 16.485 -1.420 -7.267 1.00 1.41 C ATOM 1724 O ALA A 130 15.894 -0.922 -6.307 1.00 1.33 O ATOM 1725 CB ALA A 130 17.932 -3.402 -7.762 1.00 1.92 C ATOM 0 H ALA A 130 16.024 -3.997 -9.208 1.00 1.57 H new ATOM 0 HA ALA A 130 16.174 -3.395 -6.539 1.00 1.56 H new ATOM 0 HB1 ALA A 130 18.596 -3.082 -6.959 1.00 1.92 H new ATOM 0 HB2 ALA A 130 17.948 -4.489 -7.834 1.00 1.92 H new ATOM 0 HB3 ALA A 130 18.268 -2.971 -8.705 1.00 1.92 H new ATOM 1731 N GLU A 131 17.126 -0.692 -8.178 1.00 1.46 N ATOM 1732 CA GLU A 131 17.173 0.764 -8.099 1.00 1.46 C ATOM 1733 C GLU A 131 15.769 1.353 -8.040 1.00 1.38 C ATOM 1734 O GLU A 131 15.487 2.241 -7.232 1.00 1.37 O ATOM 1735 CB GLU A 131 17.929 1.336 -9.299 1.00 1.66 C ATOM 1736 CG GLU A 131 19.432 1.112 -9.234 1.00 1.92 C ATOM 1737 CD GLU A 131 20.199 2.384 -8.931 1.00 2.55 C ATOM 1738 OE1 GLU A 131 19.890 3.427 -9.547 1.00 3.30 O ATOM 1739 OE2 GLU A 131 21.111 2.339 -8.078 1.00 2.84 O ATOM 0 H GLU A 131 17.619 -1.087 -8.979 1.00 1.46 H new ATOM 0 HA GLU A 131 17.699 1.036 -7.184 1.00 1.46 H new ATOM 0 HB2 GLU A 131 17.542 0.883 -10.212 1.00 1.66 H new ATOM 0 HB3 GLU A 131 17.732 2.406 -9.366 1.00 1.66 H new ATOM 0 HG2 GLU A 131 19.652 0.368 -8.468 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.776 0.702 -10.184 1.00 1.92 H new ATOM 1746 N GLU A 132 14.888 0.850 -8.900 1.00 1.44 N ATOM 1747 CA GLU A 132 13.509 1.322 -8.949 1.00 1.53 C ATOM 1748 C GLU A 132 12.875 1.289 -7.564 1.00 1.29 C ATOM 1749 O GLU A 132 12.495 2.325 -7.020 1.00 1.22 O ATOM 1750 CB GLU A 132 12.689 0.465 -9.918 1.00 1.86 C ATOM 1751 CG GLU A 132 13.286 0.382 -11.314 1.00 2.46 C ATOM 1752 CD GLU A 132 13.505 1.748 -11.935 1.00 2.96 C ATOM 1753 OE1 GLU A 132 12.616 2.614 -11.793 1.00 3.37 O ATOM 1754 OE2 GLU A 132 14.565 1.950 -12.563 1.00 3.44 O ATOM 0 H GLU A 132 15.105 0.115 -9.573 1.00 1.44 H new ATOM 0 HA GLU A 132 13.516 2.353 -9.302 1.00 1.53 H new ATOM 0 HB2 GLU A 132 12.598 -0.542 -9.511 1.00 1.86 H new ATOM 0 HB3 GLU A 132 11.681 0.874 -9.987 1.00 1.86 H new ATOM 0 HG2 GLU A 132 14.237 -0.149 -11.268 1.00 2.46 H new ATOM 0 HG3 GLU A 132 12.625 -0.203 -11.954 1.00 2.46 H new ATOM 1761 N MET A 133 12.768 0.092 -6.995 1.00 1.28 N ATOM 1762 CA MET A 133 12.183 -0.075 -5.670 1.00 1.23 C ATOM 1763 C MET A 133 12.963 0.719 -4.629 1.00 0.98 C ATOM 1764 O MET A 133 12.380 1.428 -3.809 1.00 0.92 O ATOM 1765 CB MET A 133 12.152 -1.553 -5.285 1.00 1.53 C ATOM 1766 CG MET A 133 10.922 -2.283 -5.795 1.00 1.39 C ATOM 1767 SD MET A 133 9.554 -2.237 -4.625 1.00 2.20 S ATOM 1768 CE MET A 133 8.972 -3.926 -4.724 1.00 2.47 C ATOM 0 H MET A 133 13.079 -0.776 -7.431 1.00 1.28 H new ATOM 0 HA MET A 133 11.162 0.305 -5.700 1.00 1.23 H new ATOM 0 HB2 MET A 133 13.044 -2.042 -5.677 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.192 -1.639 -4.199 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.604 -1.837 -6.737 1.00 1.39 H new ATOM 0 HG3 MET A 133 11.181 -3.321 -6.005 1.00 1.39 H new ATOM 0 HE1 MET A 133 8.541 -4.219 -3.767 1.00 2.47 H new ATOM 0 HE2 MET A 133 8.214 -4.004 -5.503 1.00 2.47 H new ATOM 0 HE3 MET A 133 9.807 -4.585 -4.963 1.00 2.47 H new ATOM 1778 N GLU A 134 14.287 0.598 -4.671 1.00 1.00 N ATOM 1779 CA GLU A 134 15.151 1.308 -3.734 1.00 0.98 C ATOM 1780 C GLU A 134 14.788 2.790 -3.678 1.00 0.85 C ATOM 1781 O GLU A 134 14.532 3.338 -2.604 1.00 0.92 O ATOM 1782 CB GLU A 134 16.618 1.144 -4.135 1.00 1.17 C ATOM 1783 CG GLU A 134 17.272 -0.097 -3.549 1.00 1.00 C ATOM 1784 CD GLU A 134 18.689 0.161 -3.077 1.00 1.57 C ATOM 1785 OE1 GLU A 134 19.499 0.672 -3.880 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.990 -0.146 -1.905 1.00 2.40 O ATOM 0 H GLU A 134 14.784 0.015 -5.344 1.00 1.00 H new ATOM 0 HA GLU A 134 15.004 0.878 -2.743 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.687 1.102 -5.222 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.175 2.024 -3.814 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.674 -0.458 -2.712 1.00 1.00 H new ATOM 0 HG3 GLU A 134 17.281 -0.888 -4.299 1.00 1.00 H new ATOM 1793 N SER A 135 14.764 3.432 -4.842 1.00 0.80 N ATOM 1794 CA SER A 135 14.429 4.849 -4.925 1.00 0.84 C ATOM 1795 C SER A 135 12.949 5.073 -4.625 1.00 0.80 C ATOM 1796 O SER A 135 12.583 6.018 -3.925 1.00 0.82 O ATOM 1797 CB SER A 135 14.769 5.397 -6.312 1.00 0.97 C ATOM 1798 OG SER A 135 16.049 4.957 -6.733 1.00 1.29 O ATOM 0 H SER A 135 14.972 2.994 -5.739 1.00 0.80 H new ATOM 0 HA SER A 135 15.020 5.381 -4.179 1.00 0.84 H new ATOM 0 HB2 SER A 135 14.015 5.073 -7.030 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.743 6.487 -6.293 1.00 0.97 H new ATOM 0 HG SER A 135 16.002 4.013 -6.992 1.00 1.29 H new ATOM 1804 N LEU A 136 12.103 4.198 -5.162 1.00 0.81 N ATOM 1805 CA LEU A 136 10.661 4.293 -4.958 1.00 0.87 C ATOM 1806 C LEU A 136 10.321 4.341 -3.472 1.00 0.73 C ATOM 1807 O LEU A 136 9.518 5.164 -3.036 1.00 0.85 O ATOM 1808 CB LEU A 136 9.955 3.101 -5.617 1.00 0.98 C ATOM 1809 CG LEU A 136 8.481 3.315 -5.976 1.00 1.16 C ATOM 1810 CD1 LEU A 136 7.603 3.230 -4.735 1.00 1.17 C ATOM 1811 CD2 LEU A 136 8.286 4.648 -6.685 1.00 1.73 C ATOM 0 H LEU A 136 12.393 3.412 -5.744 1.00 0.81 H new ATOM 0 HA LEU A 136 10.313 5.217 -5.420 1.00 0.87 H new ATOM 0 HB2 LEU A 136 10.497 2.839 -6.526 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.026 2.245 -4.946 1.00 0.98 H new ATOM 0 HG LEU A 136 8.180 2.520 -6.658 1.00 1.16 H new ATOM 0 HD11 LEU A 136 6.561 3.385 -5.015 1.00 1.17 H new ATOM 0 HD12 LEU A 136 7.713 2.247 -4.278 1.00 1.17 H new ATOM 0 HD13 LEU A 136 7.905 3.997 -4.022 1.00 1.17 H new ATOM 0 HD21 LEU A 136 7.232 4.779 -6.930 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.610 5.458 -6.032 1.00 1.73 H new ATOM 0 HD23 LEU A 136 8.876 4.663 -7.601 1.00 1.73 H new ATOM 1817 N GLU A 137 10.937 3.455 -2.700 1.00 0.57 N ATOM 1818 CA GLU A 137 10.694 3.399 -1.264 1.00 0.51 C ATOM 1819 C GLU A 137 11.521 4.443 -0.530 1.00 0.52 C ATOM 1820 O GLU A 137 10.983 5.277 0.197 1.00 0.53 O ATOM 1821 CB GLU A 137 11.024 2.006 -0.725 1.00 0.52 C ATOM 1822 CG GLU A 137 10.266 1.647 0.544 1.00 1.16 C ATOM 1823 CD GLU A 137 11.186 1.422 1.729 1.00 1.87 C ATOM 1824 OE1 GLU A 137 11.712 0.298 1.867 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.381 2.371 2.518 1.00 2.45 O ATOM 0 H GLU A 137 11.607 2.767 -3.043 1.00 0.57 H new ATOM 0 HA GLU A 137 9.639 3.611 -1.093 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.800 1.266 -1.493 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.094 1.946 -0.528 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.563 2.445 0.781 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.678 0.746 0.369 1.00 1.16 H new ATOM 1832 N THR A 138 12.831 4.385 -0.720 1.00 0.57 N ATOM 1833 CA THR A 138 13.743 5.315 -0.068 1.00 0.67 C ATOM 1834 C THR A 138 13.305 6.770 -0.245 1.00 0.69 C ATOM 1835 O THR A 138 13.433 7.576 0.678 1.00 0.77 O ATOM 1836 CB THR A 138 15.157 5.132 -0.616 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.619 3.814 -0.383 1.00 0.85 O ATOM 1838 CG2 THR A 138 16.158 6.085 -0.006 1.00 1.10 C ATOM 0 H THR A 138 13.288 3.701 -1.323 1.00 0.57 H new ATOM 0 HA THR A 138 13.728 5.092 0.999 1.00 0.67 H new ATOM 0 HB THR A 138 15.084 5.340 -1.684 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.680 3.333 -1.235 1.00 0.85 H new ATOM 0 HG21 THR A 138 17.143 5.904 -0.437 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.855 7.112 -0.212 1.00 1.10 H new ATOM 0 HG23 THR A 138 16.200 5.928 1.072 1.00 1.10 H new ATOM 1843 N GLN A 139 12.809 7.111 -1.430 1.00 0.70 N ATOM 1844 CA GLN A 139 12.386 8.481 -1.706 1.00 0.79 C ATOM 1845 C GLN A 139 11.079 8.835 -1.002 1.00 0.67 C ATOM 1846 O GLN A 139 10.982 9.876 -0.354 1.00 0.67 O ATOM 1847 CB GLN A 139 12.240 8.708 -3.210 1.00 0.92 C ATOM 1848 CG GLN A 139 12.158 10.179 -3.585 1.00 1.04 C ATOM 1849 CD GLN A 139 12.626 10.450 -5.001 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.235 9.593 -5.641 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.345 11.651 -5.495 1.00 1.28 N ATOM 0 H GLN A 139 12.690 6.464 -2.210 1.00 0.70 H new ATOM 0 HA GLN A 139 13.164 9.136 -1.314 1.00 0.79 H new ATOM 0 HB2 GLN A 139 13.088 8.255 -3.724 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.343 8.198 -3.563 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.129 10.521 -3.476 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.763 10.761 -2.889 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.838 12.330 -4.928 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.637 11.894 -6.442 1.00 1.28 H new ATOM 1858 N ILE A 140 10.070 7.984 -1.137 1.00 0.60 N ATOM 1859 CA ILE A 140 8.778 8.247 -0.513 1.00 0.52 C ATOM 1860 C ILE A 140 8.845 8.071 1.001 1.00 0.47 C ATOM 1861 O ILE A 140 8.133 8.747 1.743 1.00 0.48 O ATOM 1862 CB ILE A 140 7.667 7.340 -1.079 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.738 7.291 -2.606 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.300 7.837 -0.635 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.957 6.146 -3.209 1.00 1.12 C ATOM 0 H ILE A 140 10.119 7.114 -1.667 1.00 0.60 H new ATOM 0 HA ILE A 140 8.533 9.284 -0.745 1.00 0.52 H new ATOM 0 HB ILE A 140 7.818 6.332 -0.692 1.00 0.49 H new ATOM 0 HG12 ILE A 140 7.360 8.230 -3.010 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.781 7.209 -2.911 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.526 7.186 -1.043 1.00 0.52 H new ATOM 0 HG22 ILE A 140 6.245 7.828 0.454 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.147 8.854 -0.997 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.052 6.173 -4.295 1.00 1.12 H new ATOM 0 HD12 ILE A 140 7.349 5.201 -2.834 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.906 6.238 -2.934 1.00 1.12 H new ATOM 1869 N MET A 141 9.697 7.157 1.454 1.00 0.47 N ATOM 1870 CA MET A 141 9.844 6.894 2.882 1.00 0.51 C ATOM 1871 C MET A 141 10.846 7.846 3.534 1.00 0.62 C ATOM 1872 O MET A 141 10.508 8.566 4.474 1.00 0.71 O ATOM 1873 CB MET A 141 10.276 5.447 3.115 1.00 0.51 C ATOM 1874 CG MET A 141 9.120 4.457 3.087 1.00 0.53 C ATOM 1875 SD MET A 141 8.139 4.571 1.578 1.00 1.02 S ATOM 1876 CE MET A 141 6.787 5.611 2.131 1.00 0.44 C ATOM 0 H MET A 141 10.295 6.587 0.855 1.00 0.47 H new ATOM 0 HA MET A 141 8.872 7.061 3.346 1.00 0.51 H new ATOM 0 HB2 MET A 141 11.003 5.166 2.353 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.781 5.377 4.079 1.00 0.51 H new ATOM 0 HG2 MET A 141 9.512 3.445 3.184 1.00 0.53 H new ATOM 0 HG3 MET A 141 8.476 4.633 3.948 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.937 5.491 1.459 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.495 5.322 3.141 1.00 0.44 H new ATOM 0 HE3 MET A 141 7.106 6.653 2.130 1.00 0.44 H new ATOM 1886 N GLN A 142 12.082 7.830 3.044 1.00 0.66 N ATOM 1887 CA GLN A 142 13.136 8.678 3.599 1.00 0.79 C ATOM 1888 C GLN A 142 13.110 10.085 3.004 1.00 0.80 C ATOM 1889 O GLN A 142 13.613 11.030 3.612 1.00 0.85 O ATOM 1890 CB GLN A 142 14.508 8.040 3.359 1.00 0.90 C ATOM 1891 CG GLN A 142 14.538 6.543 3.617 1.00 1.34 C ATOM 1892 CD GLN A 142 15.862 6.075 4.189 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.711 5.515 3.334 1.00 1.64 O flip ATOM 1894 NE2 GLN A 142 16.119 6.215 5.384 1.00 1.85 N flip ATOM 0 H GLN A 142 12.379 7.241 2.266 1.00 0.66 H new ATOM 0 HA GLN A 142 12.954 8.765 4.670 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.812 8.229 2.329 1.00 0.90 H new ATOM 0 HB3 GLN A 142 15.242 8.526 4.002 1.00 0.90 H new ATOM 0 HG2 GLN A 142 13.736 6.281 4.307 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.342 6.014 2.685 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.437 6.651 6.005 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.014 5.895 5.754 1.00 1.85 H new ATOM 1901 N GLY A 143 12.534 10.221 1.816 1.00 0.79 N ATOM 1902 CA GLY A 143 12.473 11.521 1.172 1.00 0.84 C ATOM 1903 C GLY A 143 11.188 12.271 1.469 1.00 0.81 C ATOM 1904 O GLY A 143 10.781 13.143 0.700 1.00 1.05 O ATOM 0 H GLY A 143 12.109 9.458 1.288 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.322 12.122 1.499 1.00 0.84 H new ATOM 0 HA3 GLY A 143 12.570 11.391 0.094 1.00 0.84 H new ATOM 1908 N LEU A 144 10.545 11.938 2.584 1.00 0.75 N ATOM 1909 CA LEU A 144 9.301 12.595 2.970 1.00 0.72 C ATOM 1910 C LEU A 144 9.316 12.982 4.444 1.00 0.87 C ATOM 1911 O LEU A 144 8.922 14.090 4.810 1.00 1.01 O ATOM 1912 CB LEU A 144 8.105 11.685 2.685 1.00 0.62 C ATOM 1913 CG LEU A 144 6.733 12.348 2.855 1.00 0.66 C ATOM 1914 CD1 LEU A 144 6.053 12.530 1.506 1.00 0.58 C ATOM 1915 CD2 LEU A 144 5.853 11.531 3.789 1.00 0.81 C ATOM 0 H LEU A 144 10.863 11.220 3.234 1.00 0.75 H new ATOM 0 HA LEU A 144 9.208 13.505 2.377 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.187 11.311 1.665 1.00 0.62 H new ATOM 0 HB3 LEU A 144 8.159 10.821 3.347 1.00 0.62 H new ATOM 0 HG LEU A 144 6.884 13.332 3.299 1.00 0.66 H new ATOM 0 HD11 LEU A 144 5.081 13.002 1.649 1.00 0.58 H new ATOM 0 HD12 LEU A 144 6.672 13.161 0.869 1.00 0.58 H new ATOM 0 HD13 LEU A 144 5.918 11.558 1.033 1.00 0.58 H new ATOM 0 HD21 LEU A 144 4.884 12.019 3.896 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.713 10.532 3.376 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.331 11.455 4.766 1.00 0.81 H new ATOM 1921 N GLY A 145 9.768 12.063 5.288 1.00 0.91 N ATOM 1922 CA GLY A 145 9.820 12.326 6.713 1.00 1.11 C ATOM 1923 C GLY A 145 8.497 12.039 7.398 1.00 1.11 C ATOM 1924 O GLY A 145 7.599 12.881 7.405 1.00 1.24 O ATOM 0 H GLY A 145 10.100 11.139 5.011 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.601 11.715 7.165 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.094 13.368 6.879 1.00 1.11 H new ATOM 1928 N PHE A 146 8.376 10.847 7.968 1.00 1.15 N ATOM 1929 CA PHE A 146 7.152 10.447 8.652 1.00 1.25 C ATOM 1930 C PHE A 146 7.243 10.740 10.147 1.00 1.47 C ATOM 1931 O PHE A 146 6.340 11.348 10.717 1.00 99.99 O ATOM 1932 CB PHE A 146 6.881 8.958 8.426 1.00 1.63 C ATOM 1933 CG PHE A 146 6.621 8.610 6.989 1.00 1.09 C ATOM 1934 CD1 PHE A 146 7.595 8.815 6.026 1.00 1.74 C ATOM 1935 CD2 PHE A 146 5.401 8.081 6.602 1.00 1.15 C ATOM 1936 CE1 PHE A 146 7.358 8.497 4.704 1.00 1.65 C ATOM 1937 CE2 PHE A 146 5.158 7.761 5.279 1.00 1.15 C ATOM 1938 CZ PHE A 146 6.138 7.969 4.329 1.00 0.93 C ATOM 0 H PHE A 146 9.111 10.140 7.970 1.00 1.15 H new ATOM 0 HA PHE A 146 6.327 11.026 8.237 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.735 8.383 8.782 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.022 8.658 9.026 1.00 1.63 H new ATOM 0 HD1 PHE A 146 8.551 9.228 6.313 1.00 1.74 H new ATOM 0 HD2 PHE A 146 4.631 7.917 7.341 1.00 1.15 H new ATOM 0 HE1 PHE A 146 8.126 8.661 3.963 1.00 1.65 H new ATOM 0 HE2 PHE A 146 4.203 7.349 4.989 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.951 7.719 3.295 1.00 0.93 H new