USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=28 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 138 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 142 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Set 2.1: A 122 TYR OH : rot 180:sc= -1.33 USER MOD Set 2.2: A 133 MET CE :methyl -143:sc= -6.11! (180deg=-8.75!) USER MOD Set 3.1: A 111 MET CE :methyl -165:sc= -17.3! (180deg=-17.1!) USER MOD Set 3.2: A 114 HIS : no HE2:sc= -5.51! C(o=-23!,f=-25!) USER MOD Set 4.1: A 100 GLN : amide:sc= 0.0672 K(o=0.14,f=-2.1) USER MOD Set 4.2: A 102 LYS NZ :NH3+ -114:sc= 0.0737 (180deg=0) USER MOD Set 5.1: A 65 THR OG1 : rot 180:sc= 0.177 USER MOD Set 5.2: A 66 ASN : amide:sc= -3.69! C(o=-3.5!,f=-3.5!) USER MOD Set 6.1: A 51 SER OG : rot -160:sc= -2.16 USER MOD Set 6.2: A 55 ASN : amide:sc= -10.3! C(o=-12!,f=-14!) USER MOD Set 7.1: A 23 GLN : amide:sc= -0.513 K(o=-1.7,f=-2.5) USER MOD Set 7.2: A 105 MET CE :methyl -177:sc= -1.23 (180deg=-1.33) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.83) USER MOD Single : A 12 THR OG1 : rot -100:sc= -8.49! USER MOD Single : A 14 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.77) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00446 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -135:sc= -1.24 USER MOD Single : A 33 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 37 ASN : amide:sc= 0.00955 X(o=0.0095,f=0) USER MOD Single : A 41 MET CE :methyl -126:sc= -1.46 (180deg=-4.34!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 52 HIS : no HE2:sc= -11.4! C(o=-11!,f=-14!) USER MOD Single : A 57 THR OG1 : rot 133:sc= 0.00179 USER MOD Single : A 58 TYR OH : rot -24:sc= 2.06 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= -0.415 (180deg=-1.42) USER MOD Single : A 69 SER OG : rot 51:sc= -0.167 USER MOD Single : A 74 CYS SG : rot 31:sc= 0.834 USER MOD Single : A 89 CYS SG : rot -168:sc= -0.771 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 98 SER OG : rot -65:sc= -0.916 USER MOD Single : A 107 HIS : no HE2:sc= -5.61! C(o=-5.6!,f=-6!) USER MOD Single : A 110 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.38) USER MOD Single : A 116 SER OG : rot 108:sc= -3.63! USER MOD Single : A 118 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.15) USER MOD Single : A 124 HIS :FLIP no HD1:sc= -0.42 F(o=-0.96,f=-0.42) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 GLN : amide:sc= -0.685 X(o=-0.69,f=-0.5) USER MOD Single : A 141 MET CE :methyl -167:sc= -7.29! (180deg=-7.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 6.529 7.287 -14.305 1.00 1.94 N ATOM 2 CA SER A 3 5.044 7.221 -14.235 1.00 1.63 C ATOM 3 C SER A 3 4.583 6.167 -13.234 1.00 1.31 C ATOM 4 O SER A 3 4.348 5.013 -13.594 1.00 1.66 O ATOM 5 CB SER A 3 4.503 6.898 -15.630 1.00 1.81 C ATOM 6 OG SER A 3 3.128 7.224 -15.732 1.00 2.13 O ATOM 0 HA SER A 3 4.660 8.183 -13.896 1.00 1.63 H new ATOM 0 HB2 SER A 3 5.068 7.452 -16.380 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.645 5.838 -15.842 1.00 1.81 H new ATOM 0 HG SER A 3 2.807 7.010 -16.633 1.00 2.13 H new ATOM 12 N VAL A 4 4.456 6.571 -11.975 1.00 1.30 N ATOM 13 CA VAL A 4 4.022 5.660 -10.922 1.00 1.06 C ATOM 14 C VAL A 4 2.505 5.515 -10.925 1.00 0.93 C ATOM 15 O VAL A 4 1.783 6.388 -10.441 1.00 1.44 O ATOM 16 CB VAL A 4 4.492 6.135 -9.532 1.00 1.68 C ATOM 17 CG1 VAL A 4 3.956 7.526 -9.224 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.081 5.143 -8.452 1.00 2.29 C ATOM 0 H VAL A 4 4.647 7.522 -11.659 1.00 1.30 H new ATOM 0 HA VAL A 4 4.477 4.691 -11.127 1.00 1.06 H new ATOM 0 HB VAL A 4 5.581 6.188 -9.544 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.301 7.839 -8.239 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.316 8.229 -9.975 1.00 1.82 H new ATOM 0 HG13 VAL A 4 2.866 7.507 -9.238 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.424 5.500 -7.481 1.00 2.29 H new ATOM 0 HG22 VAL A 4 2.995 5.046 -8.441 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.529 4.172 -8.660 1.00 2.29 H new ATOM 22 N LEU A 5 2.027 4.406 -11.479 1.00 0.94 N ATOM 23 CA LEU A 5 0.595 4.142 -11.553 1.00 1.34 C ATOM 24 C LEU A 5 0.088 3.499 -10.266 1.00 1.09 C ATOM 25 O LEU A 5 -0.100 2.284 -10.195 1.00 1.34 O ATOM 26 CB LEU A 5 0.285 3.243 -12.755 1.00 2.05 C ATOM 27 CG LEU A 5 -0.733 3.815 -13.743 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.794 2.960 -15.000 1.00 3.92 C ATOM 29 CD2 LEU A 5 -2.106 3.914 -13.096 1.00 3.33 C ATOM 0 H LEU A 5 2.611 3.675 -11.884 1.00 0.94 H new ATOM 0 HA LEU A 5 0.080 5.094 -11.680 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.214 3.042 -13.289 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.085 2.286 -12.388 1.00 2.05 H new ATOM 0 HG LEU A 5 -0.414 4.818 -14.025 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.523 3.382 -15.692 1.00 3.92 H new ATOM 0 HD12 LEU A 5 0.187 2.940 -15.475 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -1.090 1.945 -14.735 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.818 4.323 -13.813 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -2.434 2.922 -12.785 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.052 4.568 -12.226 1.00 3.33 H new ATOM 35 N VAL A 6 -0.140 4.325 -9.250 1.00 0.88 N ATOM 36 CA VAL A 6 -0.635 3.844 -7.969 1.00 0.75 C ATOM 37 C VAL A 6 -2.136 4.087 -7.851 1.00 0.75 C ATOM 38 O VAL A 6 -2.665 5.032 -8.437 1.00 1.03 O ATOM 39 CB VAL A 6 0.090 4.527 -6.792 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.007 6.039 -6.924 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.481 4.066 -5.458 1.00 1.02 C ATOM 0 H VAL A 6 0.011 5.333 -9.291 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.436 2.773 -7.924 1.00 0.75 H new ATOM 0 HB VAL A 6 1.140 4.236 -6.822 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.523 6.506 -6.086 1.00 1.26 H new ATOM 0 HG12 VAL A 6 0.476 6.349 -7.858 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -1.038 6.347 -6.924 1.00 1.26 H new ATOM 0 HG21 VAL A 6 0.048 4.563 -4.645 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.540 4.318 -5.409 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.360 2.987 -5.364 1.00 1.02 H new ATOM 45 N ASP A 7 -2.823 3.232 -7.100 1.00 0.72 N ATOM 46 CA ASP A 7 -4.265 3.372 -6.928 1.00 0.83 C ATOM 47 C ASP A 7 -4.681 3.176 -5.472 1.00 0.75 C ATOM 48 O ASP A 7 -4.291 2.201 -4.827 1.00 0.99 O ATOM 49 CB ASP A 7 -5.003 2.369 -7.816 1.00 1.02 C ATOM 50 CG ASP A 7 -6.507 2.558 -7.775 1.00 1.78 C ATOM 51 OD1 ASP A 7 -6.980 3.639 -8.182 1.00 2.33 O ATOM 52 OD2 ASP A 7 -7.210 1.623 -7.338 1.00 2.52 O ATOM 0 H ASP A 7 -2.409 2.442 -6.605 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.534 4.387 -7.222 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.654 2.472 -8.844 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -4.758 1.356 -7.497 1.00 1.02 H new ATOM 57 N LEU A 8 -5.487 4.106 -4.968 1.00 0.63 N ATOM 58 CA LEU A 8 -5.975 4.037 -3.596 1.00 0.74 C ATOM 59 C LEU A 8 -7.436 3.602 -3.577 1.00 0.59 C ATOM 60 O LEU A 8 -8.341 4.426 -3.718 1.00 0.79 O ATOM 61 CB LEU A 8 -5.820 5.394 -2.905 1.00 1.20 C ATOM 62 CG LEU A 8 -4.537 5.564 -2.091 1.00 0.83 C ATOM 63 CD1 LEU A 8 -3.431 6.148 -2.956 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.789 6.445 -0.875 1.00 1.52 C ATOM 0 H LEU A 8 -5.816 4.917 -5.491 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.382 3.300 -3.054 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.858 6.177 -3.663 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -6.674 5.548 -2.245 1.00 1.20 H new ATOM 0 HG LEU A 8 -4.217 4.582 -1.742 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -2.525 6.262 -2.360 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -3.233 5.479 -3.794 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -3.741 7.122 -3.335 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -3.865 6.555 -0.308 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -5.133 7.426 -1.202 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -5.550 5.985 -0.244 1.00 1.52 H new ATOM 70 N GLN A 9 -7.658 2.303 -3.416 1.00 0.65 N ATOM 71 CA GLN A 9 -9.009 1.755 -3.397 1.00 0.80 C ATOM 72 C GLN A 9 -9.634 1.849 -2.006 1.00 0.79 C ATOM 73 O GLN A 9 -9.072 1.360 -1.023 1.00 0.81 O ATOM 74 CB GLN A 9 -8.990 0.299 -3.865 1.00 1.03 C ATOM 75 CG GLN A 9 -10.372 -0.317 -4.002 1.00 1.27 C ATOM 76 CD GLN A 9 -10.396 -1.480 -4.975 1.00 1.82 C ATOM 77 OE1 GLN A 9 -10.818 -2.584 -4.632 1.00 2.23 O ATOM 78 NE2 GLN A 9 -9.940 -1.236 -6.199 1.00 2.59 N ATOM 0 H GLN A 9 -6.920 1.609 -3.297 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.619 2.348 -4.078 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -8.480 0.242 -4.827 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -8.407 -0.293 -3.159 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -10.713 -0.658 -3.024 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -11.075 0.446 -4.336 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -9.599 -0.305 -6.440 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -9.931 -1.979 -6.897 1.00 2.59 H new ATOM 85 N ILE A 10 -10.805 2.473 -1.938 1.00 0.83 N ATOM 86 CA ILE A 10 -11.518 2.626 -0.678 1.00 0.86 C ATOM 87 C ILE A 10 -12.761 1.739 -0.654 1.00 1.02 C ATOM 88 O ILE A 10 -13.351 1.453 -1.696 1.00 1.23 O ATOM 89 CB ILE A 10 -11.926 4.094 -0.434 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.468 4.270 0.986 1.00 1.21 C ATOM 91 CG2 ILE A 10 -12.956 4.541 -1.460 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.509 3.809 2.059 1.00 1.19 C ATOM 0 H ILE A 10 -11.280 2.881 -2.743 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.840 2.320 0.119 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.041 4.720 -0.544 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -12.704 5.322 1.148 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -13.401 3.715 1.081 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.231 5.579 -1.271 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -12.534 4.454 -2.461 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.842 3.911 -1.384 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -11.959 3.963 3.040 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.292 2.750 1.922 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -10.584 4.381 1.990 1.00 1.19 H new ATOM 96 N ALA A 11 -13.145 1.298 0.536 1.00 0.97 N ATOM 97 CA ALA A 11 -14.306 0.433 0.695 1.00 1.15 C ATOM 98 C ALA A 11 -15.583 1.240 0.920 1.00 1.15 C ATOM 99 O ALA A 11 -16.651 0.880 0.424 1.00 1.32 O ATOM 100 CB ALA A 11 -14.073 -0.536 1.846 1.00 1.30 C ATOM 0 H ALA A 11 -12.668 1.526 1.408 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.439 -0.132 -0.228 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.944 -1.181 1.961 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.195 -1.147 1.636 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.913 0.025 2.767 1.00 1.30 H new ATOM 106 N THR A 12 -15.469 2.328 1.674 1.00 1.10 N ATOM 107 CA THR A 12 -16.617 3.180 1.967 1.00 1.29 C ATOM 108 C THR A 12 -16.691 4.362 1.008 1.00 1.72 C ATOM 109 O THR A 12 -15.789 4.581 0.199 1.00 2.07 O ATOM 110 CB THR A 12 -16.539 3.694 3.405 1.00 1.15 C ATOM 111 OG1 THR A 12 -15.335 4.408 3.616 1.00 1.78 O ATOM 112 CG2 THR A 12 -16.606 2.596 4.440 1.00 1.29 C ATOM 0 H THR A 12 -14.594 2.641 2.094 1.00 1.10 H new ATOM 0 HA THR A 12 -17.517 2.578 1.841 1.00 1.29 H new ATOM 0 HB THR A 12 -17.410 4.338 3.527 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.688 3.830 4.072 1.00 1.78 H new ATOM 0 HG21 THR A 12 -16.545 3.032 5.437 1.00 1.29 H new ATOM 0 HG22 THR A 12 -17.547 2.056 4.337 1.00 1.29 H new ATOM 0 HG23 THR A 12 -15.774 1.907 4.294 1.00 1.29 H new ATOM 117 N GLU A 13 -17.772 5.128 1.116 1.00 2.10 N ATOM 118 CA GLU A 13 -17.971 6.301 0.274 1.00 2.62 C ATOM 119 C GLU A 13 -17.517 7.559 1.007 1.00 2.49 C ATOM 120 O GLU A 13 -16.762 8.368 0.470 1.00 2.85 O ATOM 121 CB GLU A 13 -19.443 6.425 -0.122 1.00 3.24 C ATOM 122 CG GLU A 13 -19.684 7.372 -1.287 1.00 3.89 C ATOM 123 CD GLU A 13 -20.613 6.787 -2.333 1.00 4.72 C ATOM 124 OE1 GLU A 13 -21.844 6.942 -2.186 1.00 5.27 O ATOM 125 OE2 GLU A 13 -20.109 6.173 -3.297 1.00 5.17 O ATOM 0 H GLU A 13 -18.526 4.956 1.781 1.00 2.10 H new ATOM 0 HA GLU A 13 -17.373 6.187 -0.630 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -19.825 5.438 -0.383 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.014 6.770 0.740 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -20.107 8.304 -0.911 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -18.730 7.620 -1.752 1.00 3.89 H new ATOM 132 N ASN A 14 -17.977 7.704 2.246 1.00 2.26 N ATOM 133 CA ASN A 14 -17.612 8.850 3.071 1.00 2.51 C ATOM 134 C ASN A 14 -16.806 8.389 4.280 1.00 1.99 C ATOM 135 O ASN A 14 -17.308 7.649 5.126 1.00 1.78 O ATOM 136 CB ASN A 14 -18.867 9.593 3.533 1.00 3.10 C ATOM 137 CG ASN A 14 -19.799 8.707 4.337 1.00 3.79 C ATOM 138 OD1 ASN A 14 -19.760 8.700 5.567 1.00 4.30 O ATOM 139 ND2 ASN A 14 -20.645 7.954 3.642 1.00 4.18 N ATOM 0 H ASN A 14 -18.604 7.041 2.701 1.00 2.26 H new ATOM 0 HA ASN A 14 -17.002 9.528 2.475 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -18.576 10.452 4.137 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -19.398 9.980 2.663 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -21.297 7.338 4.128 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -20.642 7.992 2.623 1.00 4.18 H new ATOM 144 N ILE A 15 -15.550 8.818 4.353 1.00 2.45 N ATOM 145 CA ILE A 15 -14.680 8.430 5.459 1.00 2.24 C ATOM 146 C ILE A 15 -13.999 9.640 6.087 1.00 1.60 C ATOM 147 O ILE A 15 -13.977 10.728 5.511 1.00 1.92 O ATOM 148 CB ILE A 15 -13.599 7.408 5.026 1.00 3.00 C ATOM 149 CG1 ILE A 15 -13.386 7.419 3.504 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.982 6.016 5.501 1.00 3.77 C ATOM 151 CD1 ILE A 15 -14.547 6.862 2.711 1.00 3.61 C ATOM 0 H ILE A 15 -15.113 9.431 3.664 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.328 7.957 6.197 1.00 2.24 H new ATOM 0 HB ILE A 15 -12.656 7.698 5.489 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.199 8.443 3.182 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -12.491 6.843 3.270 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -13.217 5.303 5.193 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -14.065 6.012 6.588 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -14.939 5.733 5.063 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -14.315 6.906 1.647 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -14.722 5.826 3.001 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -15.441 7.452 2.912 1.00 3.61 H new ATOM 155 N GLU A 16 -13.449 9.436 7.279 1.00 1.45 N ATOM 156 CA GLU A 16 -12.768 10.499 8.006 1.00 1.67 C ATOM 157 C GLU A 16 -11.253 10.360 7.884 1.00 1.94 C ATOM 158 O GLU A 16 -10.536 11.354 7.772 1.00 2.67 O ATOM 159 CB GLU A 16 -13.182 10.469 9.480 1.00 2.11 C ATOM 160 CG GLU A 16 -14.126 11.595 9.870 1.00 3.11 C ATOM 161 CD GLU A 16 -14.113 11.877 11.359 1.00 3.84 C ATOM 162 OE1 GLU A 16 -14.646 11.047 12.125 1.00 4.53 O ATOM 163 OE2 GLU A 16 -13.570 12.928 11.759 1.00 4.13 O ATOM 0 H GLU A 16 -13.462 8.539 7.764 1.00 1.45 H new ATOM 0 HA GLU A 16 -13.058 11.455 7.570 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.661 9.514 9.695 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -12.288 10.524 10.101 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -13.848 12.500 9.330 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -15.139 11.338 9.561 1.00 3.11 H new ATOM 170 N GLY A 17 -10.772 9.121 7.908 1.00 1.95 N ATOM 171 CA GLY A 17 -9.346 8.877 7.799 1.00 2.86 C ATOM 172 C GLY A 17 -8.954 8.353 6.433 1.00 2.74 C ATOM 173 O GLY A 17 -8.096 7.479 6.318 1.00 3.16 O ATOM 0 H GLY A 17 -11.345 8.282 8.001 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -8.805 9.802 8.000 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -9.043 8.159 8.561 1.00 2.86 H new ATOM 177 N LEU A 18 -9.586 8.889 5.397 1.00 2.64 N ATOM 178 CA LEU A 18 -9.304 8.472 4.030 1.00 2.63 C ATOM 179 C LEU A 18 -9.822 9.508 3.032 1.00 2.01 C ATOM 180 O LEU A 18 -11.026 9.742 2.937 1.00 2.22 O ATOM 181 CB LEU A 18 -9.935 7.112 3.759 1.00 3.46 C ATOM 182 CG LEU A 18 -9.368 6.350 2.559 1.00 3.97 C ATOM 183 CD1 LEU A 18 -9.937 6.897 1.257 1.00 4.46 C ATOM 184 CD2 LEU A 18 -7.848 6.413 2.550 1.00 4.91 C ATOM 0 H LEU A 18 -10.298 9.615 5.478 1.00 2.64 H new ATOM 0 HA LEU A 18 -8.224 8.391 3.907 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -9.818 6.493 4.649 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -11.005 7.251 3.606 1.00 3.46 H new ATOM 0 HG LEU A 18 -9.664 5.305 2.648 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -9.521 6.342 0.416 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -11.022 6.791 1.261 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -9.676 7.951 1.160 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -7.466 5.865 1.689 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -7.527 7.453 2.490 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -7.460 5.966 3.465 1.00 4.91 H new ATOM 190 N PRO A 19 -8.910 10.161 2.293 1.00 1.58 N ATOM 191 CA PRO A 19 -9.239 11.189 1.327 1.00 1.46 C ATOM 192 C PRO A 19 -9.163 10.688 -0.115 1.00 1.48 C ATOM 193 O PRO A 19 -9.208 9.484 -0.366 1.00 2.32 O ATOM 194 CB PRO A 19 -8.129 12.195 1.617 1.00 1.63 C ATOM 195 CG PRO A 19 -6.938 11.357 1.971 1.00 1.84 C ATOM 196 CD PRO A 19 -7.459 9.988 2.352 1.00 1.84 C ATOM 0 HA PRO A 19 -10.256 11.572 1.415 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.927 12.823 0.749 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -8.402 12.861 2.436 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -6.251 11.287 1.128 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -6.384 11.803 2.797 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -7.116 9.219 1.660 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -7.128 9.693 3.348 1.00 1.84 H new ATOM 204 N THR A 20 -9.046 11.620 -1.059 1.00 1.19 N ATOM 205 CA THR A 20 -8.964 11.270 -2.473 1.00 1.25 C ATOM 206 C THR A 20 -7.560 10.800 -2.844 1.00 1.21 C ATOM 207 O THR A 20 -6.568 11.277 -2.294 1.00 1.19 O ATOM 208 CB THR A 20 -9.357 12.468 -3.339 1.00 1.39 C ATOM 209 OG1 THR A 20 -8.621 13.620 -2.967 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.828 12.814 -3.251 1.00 2.03 C ATOM 0 H THR A 20 -9.006 12.621 -0.869 1.00 1.19 H new ATOM 0 HA THR A 20 -9.659 10.451 -2.656 1.00 1.25 H new ATOM 0 HB THR A 20 -9.131 12.170 -4.363 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.886 14.374 -3.534 1.00 1.78 H new ATOM 0 HG21 THR A 20 -11.039 13.672 -3.889 1.00 2.03 H new ATOM 0 HG22 THR A 20 -11.423 11.962 -3.581 1.00 2.03 H new ATOM 0 HG23 THR A 20 -11.083 13.057 -2.220 1.00 2.03 H new ATOM 215 N GLU A 21 -7.487 9.859 -3.781 1.00 1.30 N ATOM 216 CA GLU A 21 -6.208 9.315 -4.234 1.00 1.28 C ATOM 217 C GLU A 21 -5.267 10.419 -4.698 1.00 1.19 C ATOM 218 O GLU A 21 -4.086 10.413 -4.365 1.00 1.10 O ATOM 219 CB GLU A 21 -6.425 8.308 -5.364 1.00 1.44 C ATOM 220 CG GLU A 21 -7.477 8.738 -6.376 1.00 1.56 C ATOM 221 CD GLU A 21 -8.656 7.786 -6.434 1.00 1.94 C ATOM 222 OE1 GLU A 21 -8.468 6.589 -6.133 1.00 2.54 O ATOM 223 OE2 GLU A 21 -9.767 8.238 -6.783 1.00 2.04 O ATOM 0 H GLU A 21 -8.301 9.455 -4.244 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.747 8.808 -3.386 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.480 8.148 -5.882 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.718 7.351 -4.934 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -7.833 9.736 -6.122 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.020 8.805 -7.363 1.00 1.56 H new ATOM 230 N GLU A 22 -5.791 11.368 -5.468 1.00 1.24 N ATOM 231 CA GLU A 22 -4.980 12.473 -5.974 1.00 1.18 C ATOM 232 C GLU A 22 -4.098 13.055 -4.871 1.00 1.05 C ATOM 233 O GLU A 22 -2.883 13.179 -5.034 1.00 0.99 O ATOM 234 CB GLU A 22 -5.879 13.566 -6.558 1.00 1.26 C ATOM 235 CG GLU A 22 -6.029 13.488 -8.069 1.00 1.93 C ATOM 236 CD GLU A 22 -5.772 14.817 -8.752 1.00 2.47 C ATOM 237 OE1 GLU A 22 -6.394 15.822 -8.346 1.00 3.23 O ATOM 238 OE2 GLU A 22 -4.950 14.853 -9.691 1.00 2.76 O ATOM 0 H GLU A 22 -6.769 11.395 -5.755 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.333 12.085 -6.761 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.865 13.497 -6.099 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.471 14.541 -6.292 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.336 12.743 -8.461 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -7.035 13.147 -8.313 1.00 1.93 H new ATOM 245 N GLN A 23 -4.718 13.402 -3.749 1.00 1.02 N ATOM 246 CA GLN A 23 -3.993 13.964 -2.617 1.00 0.93 C ATOM 247 C GLN A 23 -2.918 13.001 -2.121 1.00 0.82 C ATOM 248 O GLN A 23 -1.723 13.267 -2.257 1.00 0.77 O ATOM 249 CB GLN A 23 -4.962 14.294 -1.479 1.00 0.99 C ATOM 250 CG GLN A 23 -4.573 15.532 -0.689 1.00 0.97 C ATOM 251 CD GLN A 23 -3.198 15.416 -0.063 1.00 1.14 C ATOM 252 OE1 GLN A 23 -2.947 14.528 0.753 1.00 2.08 O ATOM 253 NE2 GLN A 23 -2.296 16.314 -0.442 1.00 1.09 N ATOM 0 H GLN A 23 -5.722 13.304 -3.599 1.00 1.02 H new ATOM 0 HA GLN A 23 -3.506 14.880 -2.950 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.960 14.436 -1.893 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -5.016 13.442 -0.801 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.596 16.401 -1.347 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.311 15.706 0.094 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -2.546 17.033 -1.121 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -1.353 16.285 -0.054 1.00 1.09 H new ATOM 260 N ILE A 24 -3.350 11.879 -1.550 1.00 0.83 N ATOM 261 CA ILE A 24 -2.422 10.873 -1.036 1.00 0.74 C ATOM 262 C ILE A 24 -1.412 10.471 -2.102 1.00 0.69 C ATOM 263 O ILE A 24 -0.205 10.661 -1.942 1.00 0.67 O ATOM 264 CB ILE A 24 -3.156 9.600 -0.562 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.417 9.954 0.231 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.225 8.735 0.275 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.682 9.393 -0.383 1.00 1.43 C ATOM 0 H ILE A 24 -4.335 11.643 -1.431 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.913 11.329 -0.187 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.461 9.036 -1.443 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.316 9.577 1.249 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.503 11.038 0.299 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.755 7.841 0.603 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.361 8.446 -0.323 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.891 9.298 1.146 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.540 9.679 0.226 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.804 9.790 -1.391 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -5.614 8.306 -0.427 1.00 1.43 H new ATOM 271 N VAL A 25 -1.926 9.913 -3.193 1.00 0.77 N ATOM 272 CA VAL A 25 -1.097 9.474 -4.307 1.00 0.77 C ATOM 273 C VAL A 25 -0.054 10.525 -4.675 1.00 0.74 C ATOM 274 O VAL A 25 1.145 10.262 -4.619 1.00 0.73 O ATOM 275 CB VAL A 25 -1.963 9.156 -5.545 1.00 0.91 C ATOM 276 CG1 VAL A 25 -1.097 8.805 -6.742 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.935 8.028 -5.239 1.00 1.45 C ATOM 0 H VAL A 25 -2.924 9.753 -3.329 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.582 8.569 -3.986 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.536 10.049 -5.795 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.733 8.586 -7.599 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.446 9.646 -6.979 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.490 7.931 -6.508 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.537 7.817 -6.123 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.378 7.134 -4.958 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.587 8.323 -4.417 1.00 1.45 H new ATOM 281 N GLN A 26 -0.517 11.713 -5.053 1.00 0.76 N ATOM 282 CA GLN A 26 0.385 12.793 -5.432 1.00 0.77 C ATOM 283 C GLN A 26 1.386 13.095 -4.321 1.00 0.72 C ATOM 284 O GLN A 26 2.597 13.016 -4.523 1.00 0.71 O ATOM 285 CB GLN A 26 -0.409 14.056 -5.772 1.00 0.85 C ATOM 286 CG GLN A 26 0.415 15.121 -6.477 1.00 0.94 C ATOM 287 CD GLN A 26 -0.173 16.510 -6.324 1.00 1.33 C ATOM 288 OE1 GLN A 26 -1.239 16.808 -6.863 1.00 1.72 O ATOM 289 NE2 GLN A 26 0.522 17.368 -5.587 1.00 2.19 N ATOM 0 H GLN A 26 -1.508 11.951 -5.105 1.00 0.76 H new ATOM 0 HA GLN A 26 0.939 12.468 -6.313 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.254 13.785 -6.404 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.820 14.475 -4.854 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.429 15.114 -6.078 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.488 14.876 -7.537 1.00 0.94 H new ATOM 0 HE21 GLN A 26 1.401 17.077 -5.159 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.177 18.318 -5.449 1.00 2.19 H new ATOM 296 N TRP A 27 0.877 13.444 -3.147 1.00 0.74 N ATOM 297 CA TRP A 27 1.733 13.765 -2.009 1.00 0.76 C ATOM 298 C TRP A 27 2.815 12.702 -1.800 1.00 0.69 C ATOM 299 O TRP A 27 4.010 12.998 -1.869 1.00 0.67 O ATOM 300 CB TRP A 27 0.875 13.927 -0.741 1.00 0.92 C ATOM 301 CG TRP A 27 1.519 13.425 0.519 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.237 12.260 1.174 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.545 14.074 1.279 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.027 12.143 2.291 1.00 1.02 N ATOM 305 CE2 TRP A 27 2.837 13.244 2.378 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.246 15.276 1.138 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.798 13.577 3.330 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.200 15.605 2.083 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.468 14.757 3.166 1.00 0.87 C ATOM 0 H TRP A 27 -0.123 13.512 -2.956 1.00 0.74 H new ATOM 0 HA TRP A 27 2.241 14.706 -2.219 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.634 14.982 -0.614 1.00 0.92 H new ATOM 0 HB3 TRP A 27 -0.068 13.400 -0.886 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.500 11.536 0.859 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.013 11.363 2.949 1.00 1.02 H new ATOM 0 HE3 TRP A 27 3.046 15.935 0.306 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.006 12.927 4.167 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.748 16.531 1.985 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.220 15.042 3.887 1.00 0.87 H new ATOM 320 N ALA A 28 2.395 11.471 -1.533 1.00 0.70 N ATOM 321 CA ALA A 28 3.340 10.386 -1.294 1.00 0.72 C ATOM 322 C ALA A 28 3.878 9.784 -2.588 1.00 0.68 C ATOM 323 O ALA A 28 5.018 10.042 -2.978 1.00 0.73 O ATOM 324 CB ALA A 28 2.686 9.306 -0.446 1.00 0.78 C ATOM 0 H ALA A 28 1.413 11.200 -1.477 1.00 0.70 H new ATOM 0 HA ALA A 28 4.191 10.809 -0.760 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.398 8.499 -0.272 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.378 9.730 0.509 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.813 8.913 -0.967 1.00 0.78 H new ATOM 330 N THR A 29 3.065 8.959 -3.236 1.00 0.63 N ATOM 331 CA THR A 29 3.479 8.297 -4.468 1.00 0.67 C ATOM 332 C THR A 29 3.941 9.293 -5.532 1.00 0.64 C ATOM 333 O THR A 29 4.688 8.930 -6.440 1.00 0.72 O ATOM 334 CB THR A 29 2.360 7.415 -5.015 1.00 0.69 C ATOM 335 OG1 THR A 29 1.277 7.346 -4.104 1.00 1.02 O ATOM 336 CG2 THR A 29 2.824 6.003 -5.292 1.00 0.74 C ATOM 0 H THR A 29 2.118 8.733 -2.931 1.00 0.63 H new ATOM 0 HA THR A 29 4.333 7.667 -4.218 1.00 0.67 H new ATOM 0 HB THR A 29 2.045 7.878 -5.950 1.00 0.69 H new ATOM 0 HG1 THR A 29 0.977 6.417 -4.023 1.00 1.02 H new ATOM 0 HG21 THR A 29 1.991 5.416 -5.679 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.628 6.022 -6.028 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.188 5.552 -4.369 1.00 0.74 H new ATOM 341 N GLY A 30 3.507 10.543 -5.418 1.00 0.60 N ATOM 342 CA GLY A 30 3.912 11.543 -6.388 1.00 0.64 C ATOM 343 C GLY A 30 5.307 12.067 -6.112 1.00 0.66 C ATOM 344 O GLY A 30 6.080 12.308 -7.039 1.00 0.72 O ATOM 0 H GLY A 30 2.889 10.879 -4.680 1.00 0.60 H new ATOM 0 HA2 GLY A 30 3.877 11.113 -7.389 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.204 12.371 -6.373 1.00 0.64 H new ATOM 348 N ALA A 31 5.632 12.237 -4.833 1.00 0.65 N ATOM 349 CA ALA A 31 6.947 12.729 -4.442 1.00 0.73 C ATOM 350 C ALA A 31 8.023 11.657 -4.612 1.00 0.75 C ATOM 351 O ALA A 31 9.216 11.946 -4.505 1.00 0.83 O ATOM 352 CB ALA A 31 6.915 13.223 -3.003 1.00 0.82 C ATOM 0 H ALA A 31 5.004 12.042 -4.053 1.00 0.65 H new ATOM 0 HA ALA A 31 7.202 13.560 -5.100 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.903 13.588 -2.722 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.190 14.031 -2.912 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.630 12.404 -2.343 1.00 0.82 H new ATOM 358 N VAL A 32 7.606 10.417 -4.870 1.00 0.76 N ATOM 359 CA VAL A 32 8.554 9.318 -5.044 1.00 0.87 C ATOM 360 C VAL A 32 8.884 9.075 -6.515 1.00 0.91 C ATOM 361 O VAL A 32 10.000 8.679 -6.847 1.00 1.03 O ATOM 362 CB VAL A 32 8.029 8.006 -4.427 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.625 7.713 -4.916 1.00 1.07 C ATOM 364 CG2 VAL A 32 8.964 6.847 -4.747 1.00 1.23 C ATOM 0 H VAL A 32 6.626 10.150 -4.962 1.00 0.76 H new ATOM 0 HA VAL A 32 9.462 9.621 -4.522 1.00 0.87 H new ATOM 0 HB VAL A 32 7.997 8.126 -3.344 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.271 6.783 -4.470 1.00 1.07 H new ATOM 0 HG12 VAL A 32 5.962 8.529 -4.629 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.631 7.616 -6.002 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.574 5.932 -4.302 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.034 6.724 -5.828 1.00 1.23 H new ATOM 0 HG23 VAL A 32 9.954 7.055 -4.341 1.00 1.23 H new ATOM 368 N GLN A 33 7.912 9.295 -7.393 1.00 0.90 N ATOM 369 CA GLN A 33 8.123 9.075 -8.820 1.00 1.04 C ATOM 370 C GLN A 33 7.931 10.354 -9.636 1.00 1.07 C ATOM 371 O GLN A 33 7.305 10.327 -10.696 1.00 1.22 O ATOM 372 CB GLN A 33 7.176 7.989 -9.327 1.00 1.22 C ATOM 373 CG GLN A 33 7.814 7.049 -10.337 1.00 1.37 C ATOM 374 CD GLN A 33 8.532 5.887 -9.679 1.00 1.19 C ATOM 375 OE1 GLN A 33 7.993 5.237 -8.783 1.00 1.67 O ATOM 376 NE2 GLN A 33 9.754 5.619 -10.122 1.00 1.88 N ATOM 0 H GLN A 33 6.978 9.623 -7.146 1.00 0.90 H new ATOM 0 HA GLN A 33 9.157 8.754 -8.951 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.816 7.407 -8.478 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.305 8.461 -9.782 1.00 1.22 H new ATOM 0 HG2 GLN A 33 7.044 6.664 -11.006 1.00 1.37 H new ATOM 0 HG3 GLN A 33 8.521 7.607 -10.951 1.00 1.37 H new ATOM 0 HE21 GLN A 33 10.162 6.184 -10.867 1.00 1.88 H new ATOM 0 HE22 GLN A 33 10.285 4.848 -9.718 1.00 1.88 H new ATOM 383 N PRO A 34 8.472 11.494 -9.170 1.00 1.04 N ATOM 384 CA PRO A 34 8.347 12.759 -9.894 1.00 1.23 C ATOM 385 C PRO A 34 9.139 12.740 -11.198 1.00 1.50 C ATOM 386 O PRO A 34 8.591 12.988 -12.273 1.00 1.84 O ATOM 387 CB PRO A 34 8.927 13.792 -8.922 1.00 1.29 C ATOM 388 CG PRO A 34 9.834 13.019 -8.028 1.00 1.15 C ATOM 389 CD PRO A 34 9.250 11.637 -7.926 1.00 0.96 C ATOM 0 HA PRO A 34 7.317 12.972 -10.182 1.00 1.23 H new ATOM 0 HB2 PRO A 34 9.470 14.573 -9.455 1.00 1.29 H new ATOM 0 HB3 PRO A 34 8.138 14.284 -8.353 1.00 1.29 H new ATOM 0 HG2 PRO A 34 10.845 12.985 -8.435 1.00 1.15 H new ATOM 0 HG3 PRO A 34 9.902 13.486 -7.045 1.00 1.15 H new ATOM 0 HD2 PRO A 34 10.029 10.878 -7.851 1.00 0.96 H new ATOM 0 HD3 PRO A 34 8.618 11.533 -7.044 1.00 0.96 H new ATOM 397 N GLU A 35 10.428 12.433 -11.096 1.00 1.43 N ATOM 398 CA GLU A 35 11.299 12.363 -12.264 1.00 1.69 C ATOM 399 C GLU A 35 11.866 10.955 -12.439 1.00 1.95 C ATOM 400 O GLU A 35 12.916 10.774 -13.057 1.00 2.55 O ATOM 401 CB GLU A 35 12.438 13.378 -12.138 1.00 1.58 C ATOM 402 CG GLU A 35 12.368 14.502 -13.159 1.00 2.20 C ATOM 403 CD GLU A 35 13.192 15.708 -12.756 1.00 2.95 C ATOM 404 OE1 GLU A 35 14.369 15.524 -12.380 1.00 3.47 O ATOM 405 OE2 GLU A 35 12.661 16.837 -12.816 1.00 3.53 O ATOM 0 H GLU A 35 10.894 12.228 -10.212 1.00 1.43 H new ATOM 0 HA GLU A 35 10.705 12.604 -13.145 1.00 1.69 H new ATOM 0 HB2 GLU A 35 12.422 13.807 -11.136 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.390 12.858 -12.247 1.00 1.58 H new ATOM 0 HG2 GLU A 35 12.717 14.134 -14.124 1.00 2.20 H new ATOM 0 HG3 GLU A 35 11.329 14.804 -13.291 1.00 2.20 H new ATOM 412 N GLY A 36 11.177 9.962 -11.881 1.00 1.77 N ATOM 413 CA GLY A 36 11.644 8.590 -11.980 1.00 2.19 C ATOM 414 C GLY A 36 10.939 7.795 -13.062 1.00 1.74 C ATOM 415 O GLY A 36 10.196 8.352 -13.870 1.00 1.77 O ATOM 0 H GLY A 36 10.306 10.083 -11.364 1.00 1.77 H new ATOM 0 HA2 GLY A 36 12.716 8.591 -12.179 1.00 2.19 H new ATOM 0 HA3 GLY A 36 11.499 8.094 -11.021 1.00 2.19 H new ATOM 419 N ASN A 37 11.178 6.486 -13.074 1.00 2.06 N ATOM 420 CA ASN A 37 10.570 5.600 -14.062 1.00 2.08 C ATOM 421 C ASN A 37 9.107 5.327 -13.727 1.00 1.73 C ATOM 422 O ASN A 37 8.577 5.848 -12.746 1.00 1.94 O ATOM 423 CB ASN A 37 11.341 4.280 -14.135 1.00 3.12 C ATOM 424 CG ASN A 37 12.550 4.369 -15.047 1.00 3.90 C ATOM 425 OD1 ASN A 37 13.632 4.777 -14.625 1.00 4.50 O ATOM 426 ND2 ASN A 37 12.370 3.985 -16.305 1.00 4.34 N ATOM 0 H ASN A 37 11.790 6.015 -12.408 1.00 2.06 H new ATOM 0 HA ASN A 37 10.614 6.096 -15.031 1.00 2.08 H new ATOM 0 HB2 ASN A 37 11.664 3.995 -13.134 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.677 3.493 -14.492 1.00 3.12 H new ATOM 0 HD21 ASN A 37 13.146 4.021 -16.965 1.00 4.34 H new ATOM 0 HD22 ASN A 37 11.455 3.654 -16.611 1.00 4.34 H new ATOM 431 N GLU A 38 8.460 4.509 -14.552 1.00 1.77 N ATOM 432 CA GLU A 38 7.057 4.170 -14.346 1.00 1.76 C ATOM 433 C GLU A 38 6.910 2.906 -13.505 1.00 1.90 C ATOM 434 O GLU A 38 7.812 2.070 -13.457 1.00 2.28 O ATOM 435 CB GLU A 38 6.353 3.986 -15.692 1.00 2.18 C ATOM 436 CG GLU A 38 6.893 2.823 -16.508 1.00 2.12 C ATOM 437 CD GLU A 38 7.999 3.240 -17.458 1.00 2.42 C ATOM 438 OE1 GLU A 38 9.151 3.387 -16.999 1.00 2.88 O ATOM 439 OE2 GLU A 38 7.712 3.419 -18.660 1.00 2.81 O ATOM 0 H GLU A 38 8.885 4.069 -15.368 1.00 1.77 H new ATOM 0 HA GLU A 38 6.590 4.994 -13.806 1.00 1.76 H new ATOM 0 HB2 GLU A 38 5.288 3.833 -15.517 1.00 2.18 H new ATOM 0 HB3 GLU A 38 6.452 4.903 -16.273 1.00 2.18 H new ATOM 0 HG2 GLU A 38 7.270 2.054 -15.833 1.00 2.12 H new ATOM 0 HG3 GLU A 38 6.079 2.375 -17.078 1.00 2.12 H new ATOM 446 N VAL A 39 5.761 2.773 -12.847 1.00 1.79 N ATOM 447 CA VAL A 39 5.489 1.610 -12.007 1.00 2.04 C ATOM 448 C VAL A 39 3.991 1.447 -11.765 1.00 1.58 C ATOM 449 O VAL A 39 3.184 2.228 -12.269 1.00 1.86 O ATOM 450 CB VAL A 39 6.210 1.711 -10.648 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.681 1.356 -10.795 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.047 3.104 -10.056 1.00 3.20 C ATOM 0 H VAL A 39 5.004 3.456 -12.879 1.00 1.79 H new ATOM 0 HA VAL A 39 5.867 0.739 -12.543 1.00 2.04 H new ATOM 0 HB VAL A 39 5.754 0.996 -9.964 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.173 1.433 -9.825 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.774 0.336 -11.169 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.153 2.044 -11.497 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.563 3.155 -9.097 1.00 3.20 H new ATOM 0 HG22 VAL A 39 6.473 3.841 -10.737 1.00 3.20 H new ATOM 0 HG23 VAL A 39 4.988 3.315 -9.910 1.00 3.20 H new ATOM 456 N GLU A 40 3.624 0.428 -10.992 1.00 1.19 N ATOM 457 CA GLU A 40 2.221 0.166 -10.688 1.00 0.87 C ATOM 458 C GLU A 40 2.037 -0.191 -9.215 1.00 0.72 C ATOM 459 O GLU A 40 2.707 -1.082 -8.695 1.00 0.71 O ATOM 460 CB GLU A 40 1.687 -0.965 -11.569 1.00 0.85 C ATOM 461 CG GLU A 40 2.557 -2.212 -11.552 1.00 0.98 C ATOM 462 CD GLU A 40 1.798 -3.457 -11.965 1.00 1.62 C ATOM 463 OE1 GLU A 40 1.118 -3.418 -13.012 1.00 2.10 O ATOM 464 OE2 GLU A 40 1.882 -4.472 -11.242 1.00 2.29 O ATOM 0 H GLU A 40 4.278 -0.228 -10.566 1.00 1.19 H new ATOM 0 HA GLU A 40 1.657 1.076 -10.895 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.682 -1.228 -11.238 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.601 -0.606 -12.595 1.00 0.85 H new ATOM 0 HG2 GLU A 40 3.405 -2.068 -12.222 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.963 -2.354 -10.550 1.00 0.98 H new ATOM 471 N MET A 41 1.122 0.511 -8.552 1.00 0.77 N ATOM 472 CA MET A 41 0.844 0.272 -7.139 1.00 0.73 C ATOM 473 C MET A 41 -0.657 0.330 -6.866 1.00 0.68 C ATOM 474 O MET A 41 -1.415 0.928 -7.629 1.00 0.72 O ATOM 475 CB MET A 41 1.570 1.310 -6.277 1.00 0.88 C ATOM 476 CG MET A 41 1.872 0.837 -4.862 1.00 1.06 C ATOM 477 SD MET A 41 2.254 2.200 -3.744 1.00 1.42 S ATOM 478 CE MET A 41 3.757 1.606 -2.969 1.00 1.11 C ATOM 0 H MET A 41 0.560 1.251 -8.972 1.00 0.77 H new ATOM 0 HA MET A 41 1.205 -0.724 -6.882 1.00 0.73 H new ATOM 0 HB2 MET A 41 2.506 1.583 -6.765 1.00 0.88 H new ATOM 0 HB3 MET A 41 0.962 2.213 -6.225 1.00 0.88 H new ATOM 0 HG2 MET A 41 1.015 0.285 -4.477 1.00 1.06 H new ATOM 0 HG3 MET A 41 2.713 0.144 -4.886 1.00 1.06 H new ATOM 0 HE1 MET A 41 3.641 1.628 -1.885 1.00 1.11 H new ATOM 0 HE2 MET A 41 3.954 0.584 -3.293 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.592 2.245 -3.257 1.00 1.11 H new ATOM 488 N THR A 42 -1.084 -0.293 -5.772 1.00 0.81 N ATOM 489 CA THR A 42 -2.497 -0.300 -5.411 1.00 0.79 C ATOM 490 C THR A 42 -2.687 -0.627 -3.934 1.00 0.77 C ATOM 491 O THR A 42 -1.916 -1.389 -3.352 1.00 1.11 O ATOM 492 CB THR A 42 -3.260 -1.309 -6.270 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.635 -1.470 -7.531 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.700 -0.914 -6.518 1.00 1.61 C ATOM 0 H THR A 42 -0.477 -0.796 -5.125 1.00 0.81 H new ATOM 0 HA THR A 42 -2.894 0.699 -5.594 1.00 0.79 H new ATOM 0 HB THR A 42 -3.247 -2.240 -5.703 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.138 -2.120 -8.065 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.184 -1.672 -7.134 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.224 -0.831 -5.566 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.730 0.046 -7.034 1.00 1.61 H new ATOM 499 N VAL A 43 -3.726 -0.053 -3.337 1.00 0.65 N ATOM 500 CA VAL A 43 -4.032 -0.290 -1.930 1.00 0.64 C ATOM 501 C VAL A 43 -5.539 -0.386 -1.719 1.00 0.58 C ATOM 502 O VAL A 43 -6.319 0.097 -2.541 1.00 0.71 O ATOM 503 CB VAL A 43 -3.454 0.815 -1.023 1.00 0.75 C ATOM 504 CG1 VAL A 43 -4.077 2.163 -1.349 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.661 0.463 0.442 1.00 1.51 C ATOM 0 H VAL A 43 -4.372 0.581 -3.807 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.564 -1.235 -1.655 1.00 0.64 H new ATOM 0 HB VAL A 43 -2.383 0.886 -1.210 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.654 2.927 -0.697 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -3.869 2.418 -2.388 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -5.155 2.112 -1.196 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -3.247 1.253 1.068 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -4.727 0.360 0.644 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -3.157 -0.478 0.665 1.00 1.51 H new ATOM 509 N ARG A 44 -5.946 -1.020 -0.624 1.00 0.55 N ATOM 510 CA ARG A 44 -7.364 -1.184 -0.331 1.00 0.54 C ATOM 511 C ARG A 44 -7.669 -0.922 1.141 1.00 0.57 C ATOM 512 O ARG A 44 -7.406 -1.765 1.998 1.00 0.69 O ATOM 513 CB ARG A 44 -7.813 -2.599 -0.707 1.00 0.61 C ATOM 514 CG ARG A 44 -9.048 -2.636 -1.594 1.00 1.19 C ATOM 515 CD ARG A 44 -9.316 -4.038 -2.118 1.00 1.98 C ATOM 516 NE ARG A 44 -8.230 -4.524 -2.967 1.00 2.48 N ATOM 517 CZ ARG A 44 -8.348 -5.547 -3.809 1.00 3.13 C ATOM 518 NH1 ARG A 44 -9.501 -6.192 -3.924 1.00 3.54 N ATOM 519 NH2 ARG A 44 -7.308 -5.927 -4.541 1.00 3.77 N ATOM 0 H ARG A 44 -5.319 -1.426 0.070 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.913 -0.452 -0.924 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -6.995 -3.106 -1.218 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.015 -3.160 0.205 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.913 -2.286 -1.030 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -8.916 -1.952 -2.432 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.451 -4.719 -1.278 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.247 -4.041 -2.684 1.00 1.98 H new ATOM 0 HE ARG A 44 -7.328 -4.051 -2.910 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -10.304 -5.904 -3.365 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -9.585 -6.976 -4.572 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -6.419 -5.435 -4.458 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -7.398 -6.711 -5.187 1.00 3.77 H new ATOM 533 N ILE A 45 -8.244 0.242 1.422 1.00 0.55 N ATOM 534 CA ILE A 45 -8.608 0.603 2.789 1.00 0.61 C ATOM 535 C ILE A 45 -9.968 0.009 3.142 1.00 0.59 C ATOM 536 O ILE A 45 -11.004 0.544 2.748 1.00 0.60 O ATOM 537 CB ILE A 45 -8.683 2.132 2.989 1.00 0.71 C ATOM 538 CG1 ILE A 45 -7.574 2.859 2.207 1.00 0.59 C ATOM 539 CG2 ILE A 45 -8.634 2.475 4.472 1.00 0.94 C ATOM 540 CD1 ILE A 45 -6.400 3.321 3.053 1.00 0.63 C ATOM 0 H ILE A 45 -8.468 0.951 0.724 1.00 0.55 H new ATOM 0 HA ILE A 45 -7.829 0.204 3.438 1.00 0.61 H new ATOM 0 HB ILE A 45 -9.635 2.480 2.589 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -7.203 2.195 1.427 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.008 3.725 1.708 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -8.688 3.556 4.597 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -9.477 2.008 4.981 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -7.702 2.106 4.900 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -5.669 3.822 2.418 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.753 4.014 3.817 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -5.935 2.459 3.531 1.00 0.63 H new ATOM 544 N VAL A 46 -9.966 -1.096 3.879 1.00 0.63 N ATOM 545 CA VAL A 46 -11.212 -1.747 4.264 1.00 0.63 C ATOM 546 C VAL A 46 -11.021 -2.638 5.488 1.00 0.64 C ATOM 547 O VAL A 46 -9.968 -3.249 5.663 1.00 0.68 O ATOM 548 CB VAL A 46 -11.783 -2.587 3.104 1.00 0.70 C ATOM 549 CG1 VAL A 46 -10.806 -3.682 2.701 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.134 -3.177 3.483 1.00 1.52 C ATOM 0 H VAL A 46 -9.122 -1.557 4.220 1.00 0.63 H new ATOM 0 HA VAL A 46 -11.919 -0.956 4.513 1.00 0.63 H new ATOM 0 HB VAL A 46 -11.928 -1.931 2.245 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.228 -4.263 1.881 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -9.867 -3.232 2.380 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -10.622 -4.337 3.553 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.520 -3.766 2.651 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.019 -3.817 4.358 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -13.832 -2.371 3.712 1.00 1.52 H new ATOM 554 N ASP A 47 -12.050 -2.705 6.329 1.00 0.66 N ATOM 555 CA ASP A 47 -12.007 -3.516 7.545 1.00 0.71 C ATOM 556 C ASP A 47 -11.481 -4.923 7.263 1.00 0.74 C ATOM 557 O ASP A 47 -11.264 -5.300 6.112 1.00 0.81 O ATOM 558 CB ASP A 47 -13.399 -3.600 8.173 1.00 0.75 C ATOM 559 CG ASP A 47 -13.764 -2.342 8.937 1.00 1.35 C ATOM 560 OD1 ASP A 47 -12.891 -1.806 9.653 1.00 2.11 O ATOM 561 OD2 ASP A 47 -14.923 -1.892 8.821 1.00 1.88 O ATOM 0 H ASP A 47 -12.928 -2.205 6.190 1.00 0.66 H new ATOM 0 HA ASP A 47 -11.322 -3.032 8.241 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.138 -3.774 7.391 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -13.440 -4.456 8.847 1.00 0.75 H new ATOM 566 N GLU A 48 -11.276 -5.690 8.329 1.00 0.76 N ATOM 567 CA GLU A 48 -10.769 -7.052 8.210 1.00 0.82 C ATOM 568 C GLU A 48 -11.806 -7.977 7.580 1.00 0.79 C ATOM 569 O GLU A 48 -11.547 -8.608 6.556 1.00 0.83 O ATOM 570 CB GLU A 48 -10.364 -7.584 9.586 1.00 0.92 C ATOM 571 CG GLU A 48 -8.928 -7.261 9.963 1.00 1.39 C ATOM 572 CD GLU A 48 -8.448 -8.050 11.165 1.00 1.59 C ATOM 573 OE1 GLU A 48 -8.236 -9.273 11.025 1.00 2.30 O ATOM 574 OE2 GLU A 48 -8.286 -7.447 12.246 1.00 1.81 O ATOM 0 H GLU A 48 -11.454 -5.390 9.288 1.00 0.76 H new ATOM 0 HA GLU A 48 -9.895 -7.029 7.559 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.032 -7.166 10.339 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -10.501 -8.665 9.603 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -8.278 -7.469 9.113 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -8.843 -6.195 10.175 1.00 1.39 H new ATOM 581 N ALA A 49 -12.980 -8.060 8.201 1.00 0.86 N ATOM 582 CA ALA A 49 -14.053 -8.917 7.701 1.00 0.89 C ATOM 583 C ALA A 49 -14.281 -8.710 6.207 1.00 0.83 C ATOM 584 O ALA A 49 -14.186 -9.650 5.416 1.00 0.80 O ATOM 585 CB ALA A 49 -15.338 -8.656 8.473 1.00 0.99 C ATOM 0 H ALA A 49 -13.213 -7.545 9.050 1.00 0.86 H new ATOM 0 HA ALA A 49 -13.752 -9.954 7.852 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.129 -9.301 8.091 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.177 -8.867 9.530 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -15.630 -7.613 8.352 1.00 0.99 H new ATOM 591 N GLU A 50 -14.579 -7.475 5.831 1.00 0.87 N ATOM 592 CA GLU A 50 -14.819 -7.134 4.432 1.00 0.88 C ATOM 593 C GLU A 50 -13.625 -7.517 3.565 1.00 0.84 C ATOM 594 O GLU A 50 -13.778 -8.172 2.535 1.00 0.85 O ATOM 595 CB GLU A 50 -15.109 -5.639 4.295 1.00 0.98 C ATOM 596 CG GLU A 50 -16.351 -5.189 5.046 1.00 1.52 C ATOM 597 CD GLU A 50 -17.520 -4.903 4.123 1.00 1.54 C ATOM 598 OE1 GLU A 50 -17.301 -4.283 3.062 1.00 1.85 O ATOM 599 OE2 GLU A 50 -18.655 -5.300 4.463 1.00 2.17 O ATOM 0 H GLU A 50 -14.661 -6.689 6.475 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.686 -7.698 4.089 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.250 -5.076 4.660 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -15.225 -5.395 3.239 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -16.638 -5.960 5.761 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.119 -4.292 5.620 1.00 1.52 H new ATOM 606 N SER A 51 -12.433 -7.109 3.992 1.00 0.87 N ATOM 607 CA SER A 51 -11.211 -7.417 3.255 1.00 0.92 C ATOM 608 C SER A 51 -11.040 -8.925 3.119 1.00 0.84 C ATOM 609 O SER A 51 -11.020 -9.465 2.011 1.00 0.83 O ATOM 610 CB SER A 51 -9.996 -6.816 3.965 1.00 1.04 C ATOM 611 OG SER A 51 -8.792 -7.394 3.491 1.00 1.90 O ATOM 0 H SER A 51 -12.287 -6.565 4.843 1.00 0.87 H new ATOM 0 HA SER A 51 -11.289 -6.980 2.259 1.00 0.92 H new ATOM 0 HB2 SER A 51 -9.973 -5.738 3.805 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.082 -6.977 5.040 1.00 1.04 H new ATOM 0 HG SER A 51 -8.079 -7.248 4.147 1.00 1.90 H new ATOM 617 N HIS A 52 -10.928 -9.601 4.258 1.00 0.86 N ATOM 618 CA HIS A 52 -10.771 -11.050 4.278 1.00 0.86 C ATOM 619 C HIS A 52 -11.829 -11.710 3.409 1.00 0.83 C ATOM 620 O HIS A 52 -11.549 -12.659 2.678 1.00 0.90 O ATOM 621 CB HIS A 52 -10.864 -11.563 5.712 1.00 0.94 C ATOM 622 CG HIS A 52 -9.936 -10.850 6.641 1.00 0.99 C ATOM 623 ND1 HIS A 52 -8.678 -10.434 6.267 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.087 -10.473 7.934 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.092 -9.837 7.286 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.925 -9.845 8.311 1.00 1.39 N ATOM 0 H HIS A 52 -10.943 -9.167 5.181 1.00 0.86 H new ATOM 0 HA HIS A 52 -9.790 -11.304 3.876 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -11.888 -11.448 6.069 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -10.639 -12.629 5.727 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -8.264 -10.567 5.345 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -10.958 -10.636 8.552 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.099 -9.413 7.283 1.00 1.28 H new ATOM 635 N GLU A 53 -13.044 -11.182 3.477 1.00 0.86 N ATOM 636 CA GLU A 53 -14.142 -11.698 2.679 1.00 0.95 C ATOM 637 C GLU A 53 -13.897 -11.380 1.210 1.00 0.94 C ATOM 638 O GLU A 53 -14.154 -12.201 0.333 1.00 0.95 O ATOM 639 CB GLU A 53 -15.465 -11.084 3.140 1.00 1.10 C ATOM 640 CG GLU A 53 -16.689 -11.879 2.717 1.00 1.68 C ATOM 641 CD GLU A 53 -16.985 -11.750 1.235 1.00 2.38 C ATOM 642 OE1 GLU A 53 -16.664 -10.691 0.656 1.00 2.71 O ATOM 643 OE2 GLU A 53 -17.535 -12.708 0.654 1.00 3.10 O ATOM 0 H GLU A 53 -13.292 -10.396 4.078 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.200 -12.779 2.806 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.456 -10.998 4.227 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -15.544 -10.073 2.741 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.538 -12.930 2.963 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -17.553 -11.539 3.287 1.00 1.68 H new ATOM 650 N LEU A 54 -13.388 -10.178 0.960 1.00 0.95 N ATOM 651 CA LEU A 54 -13.091 -9.726 -0.394 1.00 1.00 C ATOM 652 C LEU A 54 -12.052 -10.626 -1.059 1.00 0.89 C ATOM 653 O LEU A 54 -12.181 -10.976 -2.234 1.00 0.93 O ATOM 654 CB LEU A 54 -12.589 -8.274 -0.357 1.00 1.06 C ATOM 655 CG LEU A 54 -11.980 -7.737 -1.659 1.00 1.15 C ATOM 656 CD1 LEU A 54 -10.576 -8.285 -1.870 1.00 1.23 C ATOM 657 CD2 LEU A 54 -12.875 -8.064 -2.847 1.00 1.24 C ATOM 0 H LEU A 54 -13.171 -9.494 1.685 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.006 -9.778 -0.983 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.422 -7.630 -0.077 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.842 -8.189 0.432 1.00 1.06 H new ATOM 0 HG LEU A 54 -11.907 -6.653 -1.577 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.167 -7.889 -2.800 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -9.940 -7.986 -1.037 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -10.614 -9.373 -1.925 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.425 -7.674 -3.760 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -12.988 -9.145 -2.931 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -13.854 -7.607 -2.702 1.00 1.24 H new ATOM 663 N ASN A 55 -11.017 -10.992 -0.310 1.00 0.78 N ATOM 664 CA ASN A 55 -9.959 -11.844 -0.850 1.00 0.71 C ATOM 665 C ASN A 55 -10.443 -13.276 -1.037 1.00 0.69 C ATOM 666 O ASN A 55 -10.275 -13.869 -2.104 1.00 0.74 O ATOM 667 CB ASN A 55 -8.714 -11.853 0.054 1.00 0.68 C ATOM 668 CG ASN A 55 -8.644 -10.685 1.025 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.965 -9.550 0.674 1.00 2.28 O ATOM 670 ND2 ASN A 55 -8.212 -10.963 2.256 1.00 1.42 N ATOM 0 H ASN A 55 -10.887 -10.716 0.663 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.689 -11.422 -1.818 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.696 -12.784 0.620 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.823 -11.844 -0.573 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -8.137 -10.219 2.950 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.957 -11.919 2.503 1.00 1.42 H new ATOM 675 N LEU A 56 -11.016 -13.835 0.020 1.00 0.71 N ATOM 676 CA LEU A 56 -11.493 -15.212 -0.004 1.00 0.79 C ATOM 677 C LEU A 56 -12.715 -15.402 -0.902 1.00 0.87 C ATOM 678 O LEU A 56 -12.997 -16.518 -1.337 1.00 0.97 O ATOM 679 CB LEU A 56 -11.811 -15.682 1.415 1.00 0.84 C ATOM 680 CG LEU A 56 -10.621 -16.265 2.178 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.670 -15.160 2.612 1.00 0.91 C ATOM 682 CD2 LEU A 56 -11.101 -17.066 3.380 1.00 0.92 C ATOM 0 H LEU A 56 -11.162 -13.355 0.908 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.690 -15.817 -0.426 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.210 -14.840 1.981 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -12.598 -16.435 1.366 1.00 0.84 H new ATOM 0 HG LEU A 56 -10.080 -16.937 1.512 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -8.830 -15.595 3.153 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.301 -14.632 1.733 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.197 -14.461 3.261 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -10.242 -17.474 3.912 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.666 -16.416 4.048 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -11.739 -17.882 3.042 1.00 0.92 H new ATOM 688 N THR A 57 -13.445 -14.326 -1.173 1.00 0.93 N ATOM 689 CA THR A 57 -14.636 -14.425 -2.012 1.00 1.09 C ATOM 690 C THR A 57 -14.290 -14.383 -3.499 1.00 1.14 C ATOM 691 O THR A 57 -15.034 -14.913 -4.325 1.00 1.27 O ATOM 692 CB THR A 57 -15.632 -13.309 -1.678 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.894 -13.574 -2.265 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.191 -11.938 -2.151 1.00 1.45 C ATOM 0 H THR A 57 -13.239 -13.388 -0.830 1.00 0.93 H new ATOM 0 HA THR A 57 -15.096 -15.390 -1.800 1.00 1.09 H new ATOM 0 HB THR A 57 -15.690 -13.297 -0.590 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.600 -13.432 -1.600 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.945 -11.199 -1.880 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.243 -11.678 -1.680 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.067 -11.949 -3.234 1.00 1.45 H new ATOM 699 N TYR A 58 -13.181 -13.736 -3.845 1.00 1.08 N ATOM 700 CA TYR A 58 -12.788 -13.624 -5.246 1.00 1.17 C ATOM 701 C TYR A 58 -11.486 -14.365 -5.567 1.00 1.08 C ATOM 702 O TYR A 58 -11.069 -14.399 -6.725 1.00 1.19 O ATOM 703 CB TYR A 58 -12.677 -12.142 -5.641 1.00 1.25 C ATOM 704 CG TYR A 58 -11.269 -11.580 -5.600 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.433 -11.822 -4.518 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.778 -10.810 -6.648 1.00 1.25 C ATOM 707 CE1 TYR A 58 -9.149 -11.313 -4.481 1.00 2.23 C ATOM 708 CE2 TYR A 58 -9.496 -10.297 -6.617 1.00 1.55 C ATOM 709 CZ TYR A 58 -8.685 -10.552 -5.531 1.00 2.11 C ATOM 710 OH TYR A 58 -7.408 -10.042 -5.497 1.00 2.74 O ATOM 0 H TYR A 58 -12.546 -13.287 -3.185 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.568 -14.106 -5.836 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -13.074 -12.018 -6.648 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -13.308 -11.554 -4.975 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -10.792 -12.418 -3.692 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.410 -10.610 -7.501 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -8.512 -11.511 -3.632 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -9.131 -9.699 -7.439 1.00 1.55 H new ATOM 0 HH TYR A 58 -7.110 -9.967 -4.566 1.00 2.74 H new ATOM 720 N ARG A 59 -10.830 -14.949 -4.562 1.00 0.99 N ATOM 721 CA ARG A 59 -9.576 -15.658 -4.822 1.00 0.99 C ATOM 722 C ARG A 59 -9.265 -16.742 -3.786 1.00 0.90 C ATOM 723 O ARG A 59 -8.645 -17.752 -4.118 1.00 0.97 O ATOM 724 CB ARG A 59 -8.418 -14.658 -4.879 1.00 1.05 C ATOM 725 CG ARG A 59 -7.062 -15.307 -5.107 1.00 1.58 C ATOM 726 CD ARG A 59 -6.409 -15.705 -3.792 1.00 1.65 C ATOM 727 NE ARG A 59 -4.954 -15.759 -3.898 1.00 2.22 N ATOM 728 CZ ARG A 59 -4.187 -14.698 -4.143 1.00 2.71 C ATOM 729 NH1 ARG A 59 -4.733 -13.499 -4.303 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.872 -14.836 -4.228 1.00 3.32 N ATOM 0 H ARG A 59 -11.134 -14.947 -3.588 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.697 -16.162 -5.781 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -8.607 -13.941 -5.678 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.389 -14.095 -3.946 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -7.180 -16.188 -5.738 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -6.412 -14.616 -5.643 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -6.690 -14.991 -3.017 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.786 -16.679 -3.480 1.00 1.65 H new ATOM 0 HE ARG A 59 -4.498 -16.663 -3.777 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -5.745 -13.387 -4.239 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -4.141 -12.690 -4.490 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.447 -15.755 -4.106 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.285 -14.023 -4.416 1.00 3.32 H new ATOM 744 N GLY A 60 -9.665 -16.532 -2.537 1.00 0.81 N ATOM 745 CA GLY A 60 -9.373 -17.515 -1.505 1.00 0.80 C ATOM 746 C GLY A 60 -8.014 -17.275 -0.874 1.00 0.78 C ATOM 747 O GLY A 60 -7.251 -18.213 -0.642 1.00 0.88 O ATOM 0 H GLY A 60 -10.180 -15.710 -2.221 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -10.144 -17.476 -0.736 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -9.403 -18.516 -1.936 1.00 0.80 H new ATOM 751 N LYS A 61 -7.710 -16.007 -0.618 1.00 0.76 N ATOM 752 CA LYS A 61 -6.430 -15.615 -0.031 1.00 0.90 C ATOM 753 C LYS A 61 -6.304 -16.071 1.423 1.00 0.95 C ATOM 754 O LYS A 61 -7.060 -16.922 1.888 1.00 1.42 O ATOM 755 CB LYS A 61 -6.250 -14.098 -0.136 1.00 1.17 C ATOM 756 CG LYS A 61 -5.085 -13.687 -1.022 1.00 1.31 C ATOM 757 CD LYS A 61 -4.365 -12.463 -0.475 1.00 1.00 C ATOM 758 CE LYS A 61 -2.855 -12.648 -0.491 1.00 1.42 C ATOM 759 NZ LYS A 61 -2.370 -13.400 0.700 1.00 2.13 N ATOM 0 H LYS A 61 -8.338 -15.226 -0.809 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.639 -16.111 -0.594 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -7.167 -13.657 -0.527 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -6.100 -13.688 0.863 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -4.382 -14.516 -1.106 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -5.449 -13.476 -2.027 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -4.631 -11.588 -1.068 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.698 -12.270 0.545 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.565 -13.179 -1.397 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -2.371 -11.672 -0.525 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -1.495 -13.907 0.458 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -2.181 -12.735 1.477 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -3.095 -14.083 0.998 1.00 2.13 H new ATOM 773 N ASP A 62 -5.316 -15.503 2.116 1.00 1.17 N ATOM 774 CA ASP A 62 -5.029 -15.831 3.512 1.00 1.25 C ATOM 775 C ASP A 62 -6.278 -15.780 4.401 1.00 1.66 C ATOM 776 O ASP A 62 -7.403 -15.912 3.926 1.00 2.50 O ATOM 777 CB ASP A 62 -3.959 -14.876 4.052 1.00 1.84 C ATOM 778 CG ASP A 62 -2.912 -15.591 4.883 1.00 2.50 C ATOM 779 OD1 ASP A 62 -3.292 -16.268 5.863 1.00 3.06 O ATOM 780 OD2 ASP A 62 -1.712 -15.475 4.557 1.00 2.95 O ATOM 0 H ASP A 62 -4.690 -14.800 1.723 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.665 -16.858 3.538 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.473 -14.370 3.218 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.436 -14.106 4.658 1.00 1.84 H new ATOM 785 N ARG A 63 -6.062 -15.601 5.705 1.00 1.71 N ATOM 786 CA ARG A 63 -7.152 -15.549 6.672 1.00 2.49 C ATOM 787 C ARG A 63 -7.081 -14.259 7.488 1.00 2.22 C ATOM 788 O ARG A 63 -6.231 -13.409 7.222 1.00 1.77 O ATOM 789 CB ARG A 63 -7.072 -16.776 7.586 1.00 3.33 C ATOM 790 CG ARG A 63 -8.253 -17.723 7.442 1.00 4.23 C ATOM 791 CD ARG A 63 -7.892 -19.137 7.868 1.00 4.88 C ATOM 792 NE ARG A 63 -6.912 -19.748 6.970 1.00 5.84 N ATOM 793 CZ ARG A 63 -5.598 -19.752 7.188 1.00 6.66 C ATOM 794 NH1 ARG A 63 -5.089 -19.167 8.266 1.00 6.76 N ATOM 795 NH2 ARG A 63 -4.787 -20.341 6.319 1.00 7.66 N ATOM 0 H ARG A 63 -5.135 -15.489 6.115 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.106 -15.558 6.145 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -6.153 -17.320 7.369 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -7.009 -16.443 8.622 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -9.085 -17.362 8.046 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -8.590 -17.730 6.406 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -7.492 -19.119 8.882 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -8.793 -19.750 7.891 1.00 4.88 H new ATOM 0 HE ARG A 63 -7.257 -20.200 6.123 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -5.706 -18.709 8.937 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -4.081 -19.176 8.423 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -5.170 -20.789 5.487 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -3.780 -20.346 6.483 1.00 7.66 H new ATOM 809 N PRO A 64 -7.971 -14.081 8.488 1.00 3.04 N ATOM 810 CA PRO A 64 -7.992 -12.874 9.325 1.00 3.30 C ATOM 811 C PRO A 64 -6.601 -12.399 9.725 1.00 2.79 C ATOM 812 O PRO A 64 -6.066 -12.783 10.765 1.00 3.00 O ATOM 813 CB PRO A 64 -8.790 -13.326 10.542 1.00 4.45 C ATOM 814 CG PRO A 64 -9.773 -14.285 9.973 1.00 4.81 C ATOM 815 CD PRO A 64 -9.039 -15.026 8.885 1.00 4.12 C ATOM 0 HA PRO A 64 -8.421 -12.018 8.803 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -8.152 -13.800 11.288 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -9.284 -12.487 11.032 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -10.137 -14.972 10.737 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -10.642 -13.763 9.573 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -8.628 -15.968 9.247 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -9.695 -15.265 8.048 1.00 4.12 H new ATOM 823 N THR A 65 -6.025 -11.561 8.875 1.00 2.27 N ATOM 824 CA THR A 65 -4.698 -11.011 9.094 1.00 2.01 C ATOM 825 C THR A 65 -4.782 -9.619 9.722 1.00 1.59 C ATOM 826 O THR A 65 -5.838 -9.204 10.200 1.00 1.81 O ATOM 827 CB THR A 65 -3.952 -10.949 7.755 1.00 2.13 C ATOM 828 OG1 THR A 65 -2.552 -10.896 7.959 1.00 2.47 O ATOM 829 CG2 THR A 65 -4.339 -9.761 6.898 1.00 2.82 C ATOM 0 H THR A 65 -6.467 -11.244 8.012 1.00 2.27 H new ATOM 0 HA THR A 65 -4.155 -11.656 9.785 1.00 2.01 H new ATOM 0 HB THR A 65 -4.240 -11.859 7.229 1.00 2.13 H new ATOM 0 HG1 THR A 65 -2.096 -10.859 7.092 1.00 2.47 H new ATOM 0 HG21 THR A 65 -3.771 -9.783 5.968 1.00 2.82 H new ATOM 0 HG22 THR A 65 -5.405 -9.806 6.674 1.00 2.82 H new ATOM 0 HG23 THR A 65 -4.119 -8.838 7.435 1.00 2.82 H new ATOM 834 N ASN A 66 -3.666 -8.897 9.695 1.00 1.36 N ATOM 835 CA ASN A 66 -3.611 -7.544 10.238 1.00 1.09 C ATOM 836 C ASN A 66 -3.419 -6.532 9.111 1.00 0.83 C ATOM 837 O ASN A 66 -3.897 -5.399 9.186 1.00 1.09 O ATOM 838 CB ASN A 66 -2.476 -7.420 11.259 1.00 1.37 C ATOM 839 CG ASN A 66 -1.103 -7.531 10.624 1.00 1.54 C ATOM 840 OD1 ASN A 66 -0.725 -8.586 10.116 1.00 2.36 O ATOM 841 ND2 ASN A 66 -0.350 -6.438 10.651 1.00 1.35 N ATOM 0 H ASN A 66 -2.785 -9.228 9.302 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.554 -7.335 10.743 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -2.558 -6.462 11.773 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -2.586 -8.198 12.015 1.00 1.37 H new ATOM 0 HD21 ASN A 66 0.583 -6.451 10.240 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -0.705 -5.585 11.083 1.00 1.35 H new ATOM 846 N VAL A 67 -2.721 -6.959 8.063 1.00 0.71 N ATOM 847 CA VAL A 67 -2.462 -6.112 6.906 1.00 0.79 C ATOM 848 C VAL A 67 -2.191 -6.968 5.674 1.00 0.79 C ATOM 849 O VAL A 67 -1.038 -7.229 5.327 1.00 0.81 O ATOM 850 CB VAL A 67 -1.260 -5.179 7.145 1.00 1.12 C ATOM 851 CG1 VAL A 67 -1.616 -4.094 8.149 1.00 1.59 C ATOM 852 CG2 VAL A 67 -0.051 -5.974 7.614 1.00 1.51 C ATOM 0 H VAL A 67 -2.322 -7.895 7.993 1.00 0.71 H new ATOM 0 HA VAL A 67 -3.350 -5.501 6.745 1.00 0.79 H new ATOM 0 HB VAL A 67 -1.005 -4.698 6.201 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -0.754 -3.445 8.304 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -2.450 -3.505 7.767 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.900 -4.553 9.096 1.00 1.59 H new ATOM 0 HG21 VAL A 67 0.788 -5.298 7.778 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -0.291 -6.486 8.546 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.218 -6.709 6.855 1.00 1.51 H new ATOM 856 N LEU A 68 -3.261 -7.414 5.022 1.00 0.86 N ATOM 857 CA LEU A 68 -3.138 -8.256 3.838 1.00 0.89 C ATOM 858 C LEU A 68 -2.845 -7.426 2.591 1.00 0.81 C ATOM 859 O LEU A 68 -3.346 -6.313 2.437 1.00 0.75 O ATOM 860 CB LEU A 68 -4.415 -9.071 3.630 1.00 0.99 C ATOM 861 CG LEU A 68 -4.420 -9.958 2.384 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.147 -11.406 2.763 1.00 2.06 C ATOM 863 CD2 LEU A 68 -5.746 -9.836 1.646 1.00 1.10 C ATOM 0 H LEU A 68 -4.222 -7.206 5.294 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.300 -8.934 4.000 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.573 -9.700 4.506 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.260 -8.385 3.573 1.00 0.99 H new ATOM 0 HG LEU A 68 -3.627 -9.622 1.717 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.154 -12.025 1.866 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.173 -11.478 3.246 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.919 -11.754 3.449 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -5.731 -10.474 0.762 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.558 -10.146 2.304 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -5.900 -8.800 1.343 1.00 1.10 H new ATOM 869 N SER A 69 -2.032 -7.988 1.701 1.00 0.96 N ATOM 870 CA SER A 69 -1.670 -7.317 0.459 1.00 0.97 C ATOM 871 C SER A 69 -1.909 -8.234 -0.736 1.00 0.86 C ATOM 872 O SER A 69 -2.068 -9.445 -0.579 1.00 0.89 O ATOM 873 CB SER A 69 -0.204 -6.879 0.497 1.00 1.18 C ATOM 874 OG SER A 69 0.201 -6.344 -0.750 1.00 1.85 O ATOM 0 H SER A 69 -1.611 -8.910 1.819 1.00 0.96 H new ATOM 0 HA SER A 69 -2.300 -6.434 0.352 1.00 0.97 H new ATOM 0 HB2 SER A 69 -0.064 -6.133 1.279 1.00 1.18 H new ATOM 0 HB3 SER A 69 0.427 -7.730 0.753 1.00 1.18 H new ATOM 0 HG SER A 69 -0.438 -5.658 -1.035 1.00 1.85 H new ATOM 880 N PHE A 70 -1.936 -7.650 -1.929 1.00 0.81 N ATOM 881 CA PHE A 70 -2.160 -8.415 -3.150 1.00 0.82 C ATOM 882 C PHE A 70 -0.978 -8.280 -4.109 1.00 0.91 C ATOM 883 O PHE A 70 -0.996 -7.447 -5.017 1.00 1.03 O ATOM 884 CB PHE A 70 -3.445 -7.951 -3.837 1.00 0.89 C ATOM 885 CG PHE A 70 -4.671 -8.675 -3.357 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.752 -10.056 -3.439 1.00 1.16 C ATOM 887 CD2 PHE A 70 -5.739 -7.975 -2.819 1.00 1.81 C ATOM 888 CE1 PHE A 70 -5.875 -10.725 -2.994 1.00 1.33 C ATOM 889 CE2 PHE A 70 -6.865 -8.640 -2.373 1.00 2.03 C ATOM 890 CZ PHE A 70 -6.933 -10.017 -2.461 1.00 1.48 C ATOM 0 H PHE A 70 -1.806 -6.649 -2.076 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.260 -9.465 -2.876 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.573 -6.882 -3.668 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.345 -8.094 -4.913 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -3.927 -10.615 -3.856 1.00 1.16 H new ATOM 0 HD2 PHE A 70 -5.691 -6.898 -2.748 1.00 1.81 H new ATOM 0 HE1 PHE A 70 -5.925 -11.802 -3.063 1.00 1.33 H new ATOM 0 HE2 PHE A 70 -7.691 -8.084 -1.956 1.00 2.03 H new ATOM 0 HZ PHE A 70 -7.813 -10.539 -2.113 1.00 1.48 H new ATOM 900 N PRO A 71 0.067 -9.104 -3.918 1.00 0.95 N ATOM 901 CA PRO A 71 1.260 -9.087 -4.763 1.00 1.11 C ATOM 902 C PRO A 71 1.020 -9.779 -6.101 1.00 1.11 C ATOM 903 O PRO A 71 0.298 -10.773 -6.174 1.00 1.14 O ATOM 904 CB PRO A 71 2.307 -9.860 -3.941 1.00 1.18 C ATOM 905 CG PRO A 71 1.654 -10.179 -2.631 1.00 1.13 C ATOM 906 CD PRO A 71 0.173 -10.116 -2.866 1.00 0.95 C ATOM 0 HA PRO A 71 1.568 -8.071 -5.010 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.612 -10.771 -4.456 1.00 1.18 H new ATOM 0 HB3 PRO A 71 3.206 -9.261 -3.793 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.949 -11.168 -2.281 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.956 -9.466 -1.864 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.229 -11.078 -3.185 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.370 -9.826 -1.966 1.00 0.95 H new ATOM 914 N PHE A 72 1.630 -9.252 -7.157 1.00 1.22 N ATOM 915 CA PHE A 72 1.479 -9.828 -8.490 1.00 1.28 C ATOM 916 C PHE A 72 2.078 -11.232 -8.546 1.00 1.36 C ATOM 917 O PHE A 72 2.636 -11.719 -7.562 1.00 1.47 O ATOM 918 CB PHE A 72 2.136 -8.922 -9.541 1.00 1.36 C ATOM 919 CG PHE A 72 3.632 -9.063 -9.631 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.399 -9.243 -8.489 1.00 1.38 C ATOM 921 CD2 PHE A 72 4.270 -9.015 -10.860 1.00 1.65 C ATOM 922 CE1 PHE A 72 5.772 -9.372 -8.573 1.00 1.46 C ATOM 923 CE2 PHE A 72 5.643 -9.143 -10.950 1.00 1.83 C ATOM 924 CZ PHE A 72 6.395 -9.322 -9.806 1.00 1.39 C ATOM 0 H PHE A 72 2.232 -8.430 -7.117 1.00 1.22 H new ATOM 0 HA PHE A 72 0.414 -9.903 -8.711 1.00 1.28 H new ATOM 0 HB2 PHE A 72 1.702 -9.143 -10.516 1.00 1.36 H new ATOM 0 HB3 PHE A 72 1.894 -7.884 -9.312 1.00 1.36 H new ATOM 0 HD1 PHE A 72 3.917 -9.283 -7.523 1.00 1.38 H new ATOM 0 HD2 PHE A 72 3.687 -8.876 -11.759 1.00 1.65 H new ATOM 0 HE1 PHE A 72 6.358 -9.512 -7.676 1.00 1.46 H new ATOM 0 HE2 PHE A 72 6.127 -9.103 -11.914 1.00 1.83 H new ATOM 0 HZ PHE A 72 7.468 -9.423 -9.874 1.00 1.39 H new ATOM 934 N GLU A 73 1.959 -11.878 -9.703 1.00 1.56 N ATOM 935 CA GLU A 73 2.491 -13.224 -9.884 1.00 1.67 C ATOM 936 C GLU A 73 4.015 -13.218 -9.814 1.00 1.31 C ATOM 937 O GLU A 73 4.694 -13.301 -10.837 1.00 1.43 O ATOM 938 CB GLU A 73 2.034 -13.801 -11.225 1.00 2.21 C ATOM 939 CG GLU A 73 2.257 -12.864 -12.400 1.00 2.25 C ATOM 940 CD GLU A 73 2.513 -13.606 -13.697 1.00 2.36 C ATOM 941 OE1 GLU A 73 3.578 -14.248 -13.815 1.00 2.62 O ATOM 942 OE2 GLU A 73 1.648 -13.546 -14.596 1.00 2.89 O ATOM 0 H GLU A 73 1.500 -11.491 -10.527 1.00 1.56 H new ATOM 0 HA GLU A 73 2.109 -13.851 -9.078 1.00 1.67 H new ATOM 0 HB2 GLU A 73 2.566 -14.734 -11.409 1.00 2.21 H new ATOM 0 HB3 GLU A 73 0.974 -14.046 -11.163 1.00 2.21 H new ATOM 0 HG2 GLU A 73 1.384 -12.222 -12.519 1.00 2.25 H new ATOM 0 HG3 GLU A 73 3.104 -12.213 -12.185 1.00 2.25 H new ATOM 949 N CYS A 74 4.545 -13.117 -8.598 1.00 1.48 N ATOM 950 CA CYS A 74 5.991 -13.094 -8.388 1.00 1.68 C ATOM 951 C CYS A 74 6.661 -14.313 -9.024 1.00 1.76 C ATOM 952 O CYS A 74 6.581 -15.420 -8.493 1.00 2.31 O ATOM 953 CB CYS A 74 6.311 -13.055 -6.893 1.00 2.63 C ATOM 954 SG CYS A 74 5.381 -11.811 -5.967 1.00 3.95 S ATOM 0 H CYS A 74 3.995 -13.050 -7.742 1.00 1.48 H new ATOM 0 HA CYS A 74 6.382 -12.195 -8.865 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.109 -14.037 -6.464 1.00 2.63 H new ATOM 0 HB3 CYS A 74 7.377 -12.865 -6.766 1.00 2.63 H new ATOM 0 HG CYS A 74 4.217 -11.638 -6.520 1.00 3.95 H new ATOM 960 N PRO A 75 7.335 -14.124 -10.172 1.00 1.68 N ATOM 961 CA PRO A 75 8.020 -15.209 -10.878 1.00 2.01 C ATOM 962 C PRO A 75 9.315 -15.616 -10.180 1.00 2.43 C ATOM 963 O PRO A 75 9.487 -15.379 -8.984 1.00 3.08 O ATOM 964 CB PRO A 75 8.324 -14.615 -12.265 1.00 2.13 C ATOM 965 CG PRO A 75 7.636 -13.287 -12.305 1.00 2.21 C ATOM 966 CD PRO A 75 7.487 -12.850 -10.878 1.00 1.89 C ATOM 0 HA PRO A 75 7.412 -16.113 -10.918 1.00 2.01 H new ATOM 0 HB2 PRO A 75 9.398 -14.503 -12.414 1.00 2.13 H new ATOM 0 HB3 PRO A 75 7.958 -15.268 -13.058 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.219 -12.564 -12.875 1.00 2.21 H new ATOM 0 HG3 PRO A 75 6.664 -13.367 -12.791 1.00 2.21 H new ATOM 0 HD2 PRO A 75 8.358 -12.295 -10.530 1.00 1.89 H new ATOM 0 HD3 PRO A 75 6.621 -12.203 -10.740 1.00 1.89 H new ATOM 974 N ASP A 76 10.223 -16.228 -10.933 1.00 2.55 N ATOM 975 CA ASP A 76 11.502 -16.664 -10.386 1.00 3.28 C ATOM 976 C ASP A 76 12.562 -15.578 -10.553 1.00 3.54 C ATOM 977 O ASP A 76 12.932 -14.904 -9.591 1.00 4.33 O ATOM 978 CB ASP A 76 11.961 -17.955 -11.068 1.00 3.70 C ATOM 979 CG ASP A 76 12.234 -19.068 -10.076 1.00 4.37 C ATOM 980 OD1 ASP A 76 11.277 -19.780 -9.705 1.00 4.93 O ATOM 981 OD2 ASP A 76 13.404 -19.229 -9.669 1.00 4.70 O ATOM 0 H ASP A 76 10.096 -16.433 -11.924 1.00 2.55 H new ATOM 0 HA ASP A 76 11.368 -16.855 -9.321 1.00 3.28 H new ATOM 0 HB2 ASP A 76 11.197 -18.281 -11.774 1.00 3.70 H new ATOM 0 HB3 ASP A 76 12.864 -17.757 -11.645 1.00 3.70 H new ATOM 986 N GLU A 77 13.043 -15.416 -11.780 1.00 3.34 N ATOM 987 CA GLU A 77 14.058 -14.413 -12.079 1.00 4.10 C ATOM 988 C GLU A 77 13.547 -13.413 -13.111 1.00 4.12 C ATOM 989 O GLU A 77 13.599 -13.667 -14.315 1.00 4.72 O ATOM 990 CB GLU A 77 15.334 -15.086 -12.590 1.00 4.59 C ATOM 991 CG GLU A 77 16.362 -15.346 -11.500 1.00 5.37 C ATOM 992 CD GLU A 77 16.351 -16.784 -11.020 1.00 6.17 C ATOM 993 OE1 GLU A 77 15.248 -17.349 -10.861 1.00 6.84 O ATOM 994 OE2 GLU A 77 17.445 -17.346 -10.806 1.00 6.39 O ATOM 0 H GLU A 77 12.746 -15.967 -12.585 1.00 3.34 H new ATOM 0 HA GLU A 77 14.284 -13.874 -11.159 1.00 4.10 H new ATOM 0 HB2 GLU A 77 15.071 -16.032 -13.064 1.00 4.59 H new ATOM 0 HB3 GLU A 77 15.783 -14.458 -13.359 1.00 4.59 H new ATOM 0 HG2 GLU A 77 17.355 -15.100 -11.876 1.00 5.37 H new ATOM 0 HG3 GLU A 77 16.167 -14.684 -10.656 1.00 5.37 H new ATOM 1001 N VAL A 78 13.055 -12.275 -12.632 1.00 3.88 N ATOM 1002 CA VAL A 78 12.535 -11.238 -13.514 1.00 4.32 C ATOM 1003 C VAL A 78 13.144 -9.879 -13.185 1.00 4.59 C ATOM 1004 O VAL A 78 13.965 -9.760 -12.276 1.00 4.66 O ATOM 1005 CB VAL A 78 11.002 -11.135 -13.420 1.00 4.22 C ATOM 1006 CG1 VAL A 78 10.344 -12.297 -14.146 1.00 3.62 C ATOM 1007 CG2 VAL A 78 10.557 -11.086 -11.966 1.00 4.61 C ATOM 0 H VAL A 78 13.006 -12.048 -11.639 1.00 3.88 H new ATOM 0 HA VAL A 78 12.811 -11.522 -14.530 1.00 4.32 H new ATOM 0 HB VAL A 78 10.689 -10.209 -13.903 1.00 4.22 H new ATOM 0 HG11 VAL A 78 9.260 -12.207 -14.069 1.00 3.62 H new ATOM 0 HG12 VAL A 78 10.636 -12.282 -15.196 1.00 3.62 H new ATOM 0 HG13 VAL A 78 10.664 -13.236 -13.694 1.00 3.62 H new ATOM 0 HG21 VAL A 78 9.470 -11.013 -11.920 1.00 4.61 H new ATOM 0 HG22 VAL A 78 10.882 -11.993 -11.455 1.00 4.61 H new ATOM 0 HG23 VAL A 78 11.000 -10.217 -11.479 1.00 4.61 H new ATOM 1011 N GLU A 79 12.738 -8.858 -13.932 1.00 5.02 N ATOM 1012 CA GLU A 79 13.246 -7.509 -13.719 1.00 5.37 C ATOM 1013 C GLU A 79 12.370 -6.479 -14.426 1.00 4.83 C ATOM 1014 O GLU A 79 12.698 -6.015 -15.519 1.00 5.25 O ATOM 1015 CB GLU A 79 14.689 -7.402 -14.219 1.00 6.47 C ATOM 1016 CG GLU A 79 15.724 -7.480 -13.108 1.00 7.05 C ATOM 1017 CD GLU A 79 16.941 -8.295 -13.502 1.00 7.91 C ATOM 1018 OE1 GLU A 79 17.878 -7.716 -14.089 1.00 8.13 O ATOM 1019 OE2 GLU A 79 16.955 -9.513 -13.224 1.00 8.58 O ATOM 0 H GLU A 79 12.059 -8.939 -14.689 1.00 5.02 H new ATOM 0 HA GLU A 79 13.223 -7.302 -12.649 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.877 -8.201 -14.936 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.811 -6.460 -14.753 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.038 -6.472 -12.838 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.268 -7.920 -12.221 1.00 7.05 H new ATOM 1026 N LEU A 80 11.254 -6.125 -13.796 1.00 4.12 N ATOM 1027 CA LEU A 80 10.331 -5.150 -14.366 1.00 3.69 C ATOM 1028 C LEU A 80 9.729 -4.266 -13.274 1.00 3.19 C ATOM 1029 O LEU A 80 9.394 -4.747 -12.192 1.00 2.62 O ATOM 1030 CB LEU A 80 9.216 -5.860 -15.135 1.00 3.48 C ATOM 1031 CG LEU A 80 8.426 -6.890 -14.327 1.00 3.52 C ATOM 1032 CD1 LEU A 80 7.022 -7.049 -14.890 1.00 4.01 C ATOM 1033 CD2 LEU A 80 9.152 -8.228 -14.314 1.00 3.62 C ATOM 0 H LEU A 80 10.967 -6.499 -12.891 1.00 4.12 H new ATOM 0 HA LEU A 80 10.891 -4.517 -15.054 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.523 -5.110 -15.515 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.653 -6.358 -16.001 1.00 3.48 H new ATOM 0 HG LEU A 80 8.345 -6.533 -13.300 1.00 3.52 H new ATOM 0 HD11 LEU A 80 6.475 -7.786 -14.302 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.502 -6.092 -14.846 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.081 -7.383 -15.926 1.00 4.01 H new ATOM 0 HD21 LEU A 80 8.576 -8.949 -13.734 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.265 -8.591 -15.336 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.136 -8.104 -13.862 1.00 3.62 H new ATOM 1039 N PRO A 81 9.585 -2.953 -13.540 1.00 3.80 N ATOM 1040 CA PRO A 81 9.020 -2.008 -12.569 1.00 3.74 C ATOM 1041 C PRO A 81 7.609 -2.391 -12.135 1.00 2.98 C ATOM 1042 O PRO A 81 6.728 -2.603 -12.970 1.00 3.21 O ATOM 1043 CB PRO A 81 8.999 -0.674 -13.326 1.00 4.99 C ATOM 1044 CG PRO A 81 9.992 -0.836 -14.425 1.00 5.53 C ATOM 1045 CD PRO A 81 9.958 -2.289 -14.802 1.00 4.94 C ATOM 0 HA PRO A 81 9.605 -1.981 -11.650 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.006 -0.460 -13.721 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.267 0.155 -12.671 1.00 4.99 H new ATOM 0 HG2 PRO A 81 9.737 -0.206 -15.277 1.00 5.53 H new ATOM 0 HG3 PRO A 81 10.989 -0.541 -14.097 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.231 -2.484 -15.590 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.925 -2.633 -15.168 1.00 4.94 H new ATOM 1053 N LEU A 82 7.400 -2.477 -10.824 1.00 2.52 N ATOM 1054 CA LEU A 82 6.095 -2.832 -10.276 1.00 1.87 C ATOM 1055 C LEU A 82 6.119 -2.789 -8.748 1.00 1.58 C ATOM 1056 O LEU A 82 7.179 -2.905 -8.133 1.00 2.06 O ATOM 1057 CB LEU A 82 5.659 -4.219 -10.778 1.00 1.92 C ATOM 1058 CG LEU A 82 6.109 -5.424 -9.936 1.00 1.91 C ATOM 1059 CD1 LEU A 82 7.564 -5.288 -9.511 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.208 -5.594 -8.721 1.00 2.10 C ATOM 0 H LEU A 82 8.119 -2.305 -10.121 1.00 2.52 H new ATOM 0 HA LEU A 82 5.366 -2.099 -10.622 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.571 -4.233 -10.840 1.00 1.92 H new ATOM 0 HB3 LEU A 82 6.038 -4.350 -11.792 1.00 1.92 H new ATOM 0 HG LEU A 82 6.025 -6.316 -10.557 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.852 -6.155 -8.917 1.00 2.25 H new ATOM 0 HD12 LEU A 82 8.197 -5.227 -10.396 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.686 -4.384 -8.915 1.00 2.25 H new ATOM 0 HD21 LEU A 82 5.542 -6.452 -8.137 1.00 2.10 H new ATOM 0 HD22 LEU A 82 5.254 -4.696 -8.105 1.00 2.10 H new ATOM 0 HD23 LEU A 82 4.181 -5.756 -9.049 1.00 2.10 H new ATOM 1066 N LEU A 83 4.947 -2.619 -8.143 1.00 1.15 N ATOM 1067 CA LEU A 83 4.841 -2.561 -6.689 1.00 1.18 C ATOM 1068 C LEU A 83 3.819 -3.573 -6.175 1.00 1.05 C ATOM 1069 O LEU A 83 4.075 -4.286 -5.206 1.00 1.39 O ATOM 1070 CB LEU A 83 4.471 -1.146 -6.241 1.00 1.20 C ATOM 1071 CG LEU A 83 5.455 -0.059 -6.684 1.00 2.03 C ATOM 1072 CD1 LEU A 83 4.923 1.324 -6.341 1.00 3.13 C ATOM 1073 CD2 LEU A 83 6.818 -0.283 -6.042 1.00 2.48 C ATOM 0 H LEU A 83 4.060 -2.519 -8.636 1.00 1.15 H new ATOM 0 HA LEU A 83 5.811 -2.819 -6.264 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.482 -0.903 -6.630 1.00 1.20 H new ATOM 0 HB3 LEU A 83 4.398 -1.131 -5.154 1.00 1.20 H new ATOM 0 HG LEU A 83 5.568 -0.120 -7.766 1.00 2.03 H new ATOM 0 HD11 LEU A 83 5.639 2.080 -6.665 1.00 3.13 H new ATOM 0 HD12 LEU A 83 3.972 1.484 -6.848 1.00 3.13 H new ATOM 0 HD13 LEU A 83 4.777 1.401 -5.264 1.00 3.13 H new ATOM 0 HD21 LEU A 83 7.506 0.498 -6.367 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.719 -0.251 -4.957 1.00 2.48 H new ATOM 0 HD23 LEU A 83 7.206 -1.256 -6.342 1.00 2.48 H new ATOM 1079 N GLY A 84 2.667 -3.643 -6.838 1.00 0.86 N ATOM 1080 CA GLY A 84 1.639 -4.586 -6.435 1.00 1.17 C ATOM 1081 C GLY A 84 0.412 -3.925 -5.834 1.00 1.02 C ATOM 1082 O GLY A 84 0.276 -2.700 -5.856 1.00 0.95 O ATOM 0 H GLY A 84 2.428 -3.065 -7.644 1.00 0.86 H new ATOM 0 HA2 GLY A 84 1.337 -5.174 -7.302 1.00 1.17 H new ATOM 0 HA3 GLY A 84 2.060 -5.281 -5.709 1.00 1.17 H new ATOM 1086 N ASP A 85 -0.485 -4.750 -5.299 1.00 1.00 N ATOM 1087 CA ASP A 85 -1.717 -4.264 -4.685 1.00 0.88 C ATOM 1088 C ASP A 85 -1.701 -4.518 -3.179 1.00 0.82 C ATOM 1089 O ASP A 85 -1.025 -5.429 -2.707 1.00 0.93 O ATOM 1090 CB ASP A 85 -2.923 -4.961 -5.325 1.00 0.86 C ATOM 1091 CG ASP A 85 -3.140 -4.532 -6.763 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -2.153 -4.494 -7.528 1.00 2.17 O ATOM 1093 OD2 ASP A 85 -4.298 -4.233 -7.124 1.00 2.12 O ATOM 0 H ASP A 85 -0.380 -5.764 -5.279 1.00 1.00 H new ATOM 0 HA ASP A 85 -1.793 -3.190 -4.852 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -2.777 -6.041 -5.288 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.818 -4.740 -4.743 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.443 -3.707 -2.426 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.499 -3.858 -0.975 1.00 0.69 C ATOM 1100 C LEU A 86 -3.936 -3.776 -0.466 1.00 0.60 C ATOM 1101 O LEU A 86 -4.789 -3.147 -1.088 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.651 -2.778 -0.294 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.311 -3.045 1.175 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.092 -3.613 1.305 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.449 -1.771 1.995 1.00 1.10 C ATOM 0 H LEU A 86 -3.010 -2.944 -2.795 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.100 -4.842 -0.728 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -0.721 -2.665 -0.851 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.180 -1.827 -0.361 1.00 0.82 H new ATOM 0 HG LEU A 86 -2.016 -3.781 1.561 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.315 -3.796 2.356 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.158 -4.550 0.752 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.812 -2.901 0.900 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -1.203 -1.980 3.036 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -0.769 -1.013 1.607 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.474 -1.406 1.930 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.187 -4.408 0.676 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.510 -4.400 1.294 1.00 0.59 C ATOM 1113 C VAL A 87 -5.373 -4.129 2.787 1.00 0.66 C ATOM 1114 O VAL A 87 -5.306 -5.054 3.596 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.249 -5.735 1.082 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.647 -5.678 1.683 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.311 -6.081 -0.396 1.00 1.15 C ATOM 0 H VAL A 87 -3.486 -4.936 1.196 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.095 -3.613 0.819 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.693 -6.520 1.594 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.151 -6.631 1.522 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.575 -5.481 2.753 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.216 -4.881 1.205 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -6.836 -7.027 -0.526 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.842 -5.294 -0.932 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.299 -6.170 -0.792 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.294 -2.851 3.139 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.121 -2.447 4.529 1.00 0.66 C ATOM 1123 C ILE A 88 -6.439 -2.379 5.295 1.00 0.74 C ATOM 1124 O ILE A 88 -7.513 -2.259 4.707 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.413 -1.079 4.616 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.902 -0.829 6.033 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -5.340 0.046 4.182 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.993 -1.921 6.559 1.00 1.94 C ATOM 0 H ILE A 88 -5.347 -2.075 2.479 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.505 -3.217 4.994 1.00 0.66 H new ATOM 0 HB ILE A 88 -3.562 -1.098 3.936 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -3.364 0.119 6.053 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -4.755 -0.726 6.703 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -4.815 0.998 4.253 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.654 -0.119 3.151 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -6.216 0.066 4.830 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -2.672 -1.671 7.570 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -3.532 -2.868 6.573 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -2.120 -2.010 5.913 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.334 -2.446 6.621 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.498 -2.378 7.494 1.00 0.89 C ATOM 1134 C CYS A 89 -7.709 -0.950 7.987 1.00 0.78 C ATOM 1135 O CYS A 89 -6.773 -0.296 8.446 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.327 -3.327 8.683 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.834 -3.577 9.651 1.00 1.32 S ATOM 0 H CYS A 89 -5.447 -2.548 7.114 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.376 -2.684 6.925 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.979 -4.293 8.316 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -6.548 -2.935 9.338 1.00 1.12 H new ATOM 0 HG CYS A 89 -8.540 -4.182 10.764 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.940 -0.467 7.869 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.277 0.893 8.283 1.00 0.91 C ATOM 1145 C ARG A 90 -9.603 0.980 9.775 1.00 0.81 C ATOM 1146 O ARG A 90 -9.873 2.064 10.289 1.00 0.99 O ATOM 1147 CB ARG A 90 -10.465 1.408 7.468 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.604 2.922 7.485 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.060 3.349 7.577 1.00 2.56 C ATOM 1150 NE ARG A 90 -12.672 2.938 8.838 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.924 3.229 9.184 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -14.698 3.933 8.367 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -14.404 2.817 10.349 1.00 5.12 N ATOM 0 H ARG A 90 -9.724 -0.997 7.489 1.00 0.91 H new ATOM 0 HA ARG A 90 -8.400 1.514 8.099 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -10.360 1.073 6.436 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -11.381 0.963 7.856 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -10.051 3.329 8.331 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -10.158 3.339 6.582 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -12.127 4.432 7.478 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.618 2.918 6.746 1.00 2.56 H new ATOM 0 HE ARG A 90 -12.107 2.396 9.492 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -14.334 4.253 7.470 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -15.657 4.153 8.637 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -13.814 2.276 10.981 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -15.364 3.041 10.613 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.606 -0.156 10.466 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.933 -0.168 11.888 1.00 0.63 C ATOM 1169 C GLN A 91 -8.687 -0.115 12.778 1.00 0.58 C ATOM 1170 O GLN A 91 -8.664 0.613 13.769 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.770 -1.404 12.229 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.204 -1.078 12.614 1.00 0.83 C ATOM 1173 CD GLN A 91 -12.875 -2.205 13.374 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -12.372 -2.664 14.400 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.019 -2.658 12.873 1.00 1.12 N ATOM 0 H GLN A 91 -9.388 -1.070 10.070 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.512 0.733 12.090 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.776 -2.077 11.371 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.294 -1.940 13.051 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -12.216 -0.175 13.225 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.778 -0.861 11.713 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.400 -2.248 12.020 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.516 -3.415 13.341 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.662 -0.897 12.444 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.444 -0.934 13.252 1.00 0.60 C ATOM 1184 C VAL A 92 -5.503 0.235 12.953 1.00 0.55 C ATOM 1185 O VAL A 92 -5.062 0.935 13.869 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.683 -2.265 13.067 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -5.229 -2.439 11.627 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -4.497 -2.344 14.019 1.00 1.68 C ATOM 0 H VAL A 92 -7.649 -1.508 11.627 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.772 -0.847 14.288 1.00 0.60 H new ATOM 0 HB VAL A 92 -6.368 -3.079 13.304 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -4.696 -3.384 11.525 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -6.098 -2.440 10.969 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.567 -1.618 11.352 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -3.975 -3.289 13.872 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -3.815 -1.518 13.819 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -4.851 -2.281 15.048 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.187 0.445 11.679 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.289 1.527 11.294 1.00 0.49 C ATOM 1194 C VAL A 93 -4.909 2.883 11.600 1.00 0.54 C ATOM 1195 O VAL A 93 -4.225 3.805 12.049 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.899 1.445 9.802 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.457 0.034 9.455 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.045 1.881 8.901 1.00 0.69 C ATOM 0 H VAL A 93 -5.536 -0.115 10.901 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.380 1.414 11.885 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.068 2.130 9.633 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.184 -0.013 8.401 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.596 -0.238 10.065 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.274 -0.661 9.650 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.735 1.811 7.858 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.906 1.234 9.068 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.316 2.912 9.130 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.214 2.994 11.378 1.00 0.59 N ATOM 1203 CA GLU A 94 -6.923 4.231 11.654 1.00 0.69 C ATOM 1204 C GLU A 94 -6.900 4.513 13.149 1.00 0.67 C ATOM 1205 O GLU A 94 -6.826 5.665 13.575 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.365 4.148 11.153 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.034 5.503 10.998 1.00 1.31 C ATOM 1208 CD GLU A 94 -9.214 5.901 9.547 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -8.193 6.107 8.857 1.00 2.25 O ATOM 1210 OE2 GLU A 94 -10.375 6.004 9.099 1.00 1.98 O ATOM 0 H GLU A 94 -6.798 2.243 11.009 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.426 5.046 11.128 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.378 3.634 10.192 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -8.948 3.542 11.847 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -10.007 5.482 11.489 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -8.437 6.259 11.507 1.00 1.31 H new ATOM 1217 N ARG A 95 -6.943 3.444 13.944 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.907 3.576 15.395 1.00 0.61 C ATOM 1219 C ARG A 95 -5.510 3.982 15.844 1.00 0.70 C ATOM 1220 O ARG A 95 -5.346 4.893 16.655 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.315 2.263 16.069 1.00 0.60 C ATOM 1222 CG ARG A 95 -8.583 2.377 16.901 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.779 1.769 16.186 1.00 1.58 C ATOM 1224 NE ARG A 95 -10.210 2.583 15.052 1.00 2.18 N ATOM 1225 CZ ARG A 95 -10.929 3.698 15.170 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -11.300 4.133 16.367 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -11.279 4.379 14.087 1.00 3.75 N ATOM 0 H ARG A 95 -7.002 2.483 13.607 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.617 4.348 15.690 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -7.459 1.500 15.304 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.500 1.923 16.708 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -8.437 1.876 17.858 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -8.783 3.426 17.118 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.523 0.768 15.838 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -10.605 1.660 16.889 1.00 1.58 H new ATOM 0 HE ARG A 95 -9.945 2.280 14.115 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -11.035 3.613 17.203 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -11.851 4.988 16.451 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -10.998 4.049 13.164 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -11.830 5.233 14.177 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.502 3.305 15.299 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.117 3.605 15.635 1.00 0.86 C ATOM 1243 C GLU A 96 -2.771 5.035 15.231 1.00 0.90 C ATOM 1244 O GLU A 96 -2.183 5.787 16.007 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.173 2.620 14.939 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.823 1.410 15.791 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.687 1.686 16.757 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.473 1.761 16.303 1.00 2.50 O ATOM 1249 OE2 GLU A 96 -0.960 1.828 17.967 1.00 1.89 O ATOM 0 H GLU A 96 -4.620 2.548 14.625 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.995 3.505 16.713 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.634 2.280 14.012 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.255 3.140 14.666 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -2.704 1.098 16.352 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.548 0.579 15.141 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.150 5.403 14.009 1.00 0.83 N ATOM 1257 CA ALA A 97 -2.889 6.744 13.501 1.00 0.92 C ATOM 1258 C ALA A 97 -3.711 7.781 14.258 1.00 1.00 C ATOM 1259 O ALA A 97 -3.189 8.810 14.687 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.188 6.812 12.011 1.00 0.87 C ATOM 0 H ALA A 97 -3.638 4.791 13.355 1.00 0.83 H new ATOM 0 HA ALA A 97 -1.834 6.969 13.656 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -2.989 7.819 11.645 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -2.555 6.101 11.480 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.235 6.564 11.838 1.00 0.87 H new ATOM 1266 N SER A 98 -5.001 7.502 14.421 1.00 0.92 N ATOM 1267 CA SER A 98 -5.895 8.410 15.130 1.00 1.01 C ATOM 1268 C SER A 98 -5.442 8.592 16.575 1.00 1.07 C ATOM 1269 O SER A 98 -5.566 9.676 17.144 1.00 1.18 O ATOM 1270 CB SER A 98 -7.329 7.881 15.097 1.00 0.99 C ATOM 1271 OG SER A 98 -7.434 6.646 15.784 1.00 1.50 O ATOM 0 H SER A 98 -5.450 6.655 14.072 1.00 0.92 H new ATOM 0 HA SER A 98 -5.863 9.378 14.629 1.00 1.01 H new ATOM 0 HB2 SER A 98 -8.000 8.611 15.551 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.649 7.754 14.063 1.00 0.99 H new ATOM 0 HG SER A 98 -6.907 5.965 15.315 1.00 1.50 H new ATOM 1277 N GLU A 99 -4.911 7.523 17.160 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.435 7.564 18.538 1.00 1.13 C ATOM 1279 C GLU A 99 -3.057 8.214 18.614 1.00 1.27 C ATOM 1280 O GLU A 99 -2.720 8.861 19.606 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.378 6.152 19.124 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.344 6.126 20.643 1.00 1.76 C ATOM 1283 CD GLU A 99 -3.524 4.971 21.187 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -3.689 3.838 20.688 1.00 2.68 O ATOM 1285 OE2 GLU A 99 -2.718 5.200 22.113 1.00 2.88 O ATOM 0 H GLU A 99 -4.800 6.619 16.702 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.135 8.162 19.121 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -5.245 5.589 18.778 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.494 5.643 18.740 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -3.930 7.065 21.010 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.363 6.056 21.025 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.267 8.038 17.560 1.00 1.22 N ATOM 1293 CA GLN A 100 -0.925 8.610 17.507 1.00 1.37 C ATOM 1294 C GLN A 100 -0.979 10.099 17.177 1.00 1.48 C ATOM 1295 O GLN A 100 -0.116 10.869 17.598 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.076 7.875 16.468 1.00 1.33 C ATOM 1297 CG GLN A 100 0.510 6.567 16.975 1.00 1.96 C ATOM 1298 CD GLN A 100 1.955 6.708 17.416 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.872 6.680 16.596 1.00 3.19 O ATOM 1300 NE2 GLN A 100 2.162 6.860 18.719 1.00 2.35 N ATOM 0 H GLN A 100 -2.532 7.505 16.732 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.468 8.492 18.489 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -0.688 7.673 15.589 1.00 1.33 H new ATOM 0 HB3 GLN A 100 0.736 8.527 16.148 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -0.088 6.205 17.812 1.00 1.96 H new ATOM 0 HG3 GLN A 100 0.446 5.815 16.189 1.00 1.96 H new ATOM 0 HE21 GLN A 100 1.371 6.877 19.362 1.00 2.35 H new ATOM 0 HE22 GLN A 100 3.112 6.959 19.076 1.00 2.35 H new ATOM 1307 N GLU A 101 -1.997 10.497 16.419 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.164 11.893 16.031 1.00 1.59 C ATOM 1309 C GLU A 101 -1.016 12.348 15.134 1.00 1.58 C ATOM 1310 O GLU A 101 -0.413 13.398 15.362 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.248 12.786 17.273 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.311 13.868 17.173 1.00 2.02 C ATOM 1313 CD GLU A 101 -3.289 14.818 18.354 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -3.632 14.382 19.473 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -2.927 15.998 18.160 1.00 2.68 O ATOM 0 H GLU A 101 -2.719 9.871 16.061 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.095 11.980 15.470 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -2.455 12.164 18.144 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -1.278 13.255 17.439 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -3.163 14.434 16.253 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -4.294 13.401 17.105 1.00 2.02 H new ATOM 1322 N LYS A 102 -0.719 11.551 14.114 1.00 1.36 N ATOM 1323 CA LYS A 102 0.356 11.866 13.181 1.00 1.36 C ATOM 1324 C LYS A 102 -0.208 12.268 11.819 1.00 1.24 C ATOM 1325 O LYS A 102 -1.360 11.968 11.504 1.00 1.16 O ATOM 1326 CB LYS A 102 1.292 10.665 13.025 1.00 1.37 C ATOM 1327 CG LYS A 102 0.628 9.455 12.387 1.00 1.77 C ATOM 1328 CD LYS A 102 1.572 8.265 12.332 1.00 2.28 C ATOM 1329 CE LYS A 102 1.276 7.268 13.442 1.00 2.19 C ATOM 1330 NZ LYS A 102 2.272 6.162 13.474 1.00 2.36 N ATOM 0 H LYS A 102 -1.209 10.680 13.912 1.00 1.36 H new ATOM 0 HA LYS A 102 0.920 12.707 13.584 1.00 1.36 H new ATOM 0 HB2 LYS A 102 2.150 10.959 12.420 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.675 10.384 14.006 1.00 1.37 H new ATOM 0 HG2 LYS A 102 -0.264 9.187 12.954 1.00 1.77 H new ATOM 0 HG3 LYS A 102 0.301 9.708 11.379 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.481 7.772 11.364 1.00 2.28 H new ATOM 0 HD3 LYS A 102 2.602 8.612 12.418 1.00 2.28 H new ATOM 0 HE2 LYS A 102 1.275 7.784 14.402 1.00 2.19 H new ATOM 0 HE3 LYS A 102 0.278 6.854 13.301 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 1.804 5.266 13.229 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 3.029 6.356 12.788 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 2.680 6.090 14.428 1.00 2.36 H new ATOM 1344 N PRO A 103 0.599 12.953 10.989 1.00 1.27 N ATOM 1345 CA PRO A 103 0.171 13.392 9.656 1.00 1.21 C ATOM 1346 C PRO A 103 -0.495 12.272 8.864 1.00 1.01 C ATOM 1347 O PRO A 103 0.158 11.313 8.453 1.00 0.97 O ATOM 1348 CB PRO A 103 1.481 13.813 8.989 1.00 1.28 C ATOM 1349 CG PRO A 103 2.356 14.236 10.118 1.00 1.36 C ATOM 1350 CD PRO A 103 1.989 13.353 11.281 1.00 1.42 C ATOM 0 HA PRO A 103 -0.574 14.186 9.705 1.00 1.21 H new ATOM 0 HB2 PRO A 103 1.925 12.989 8.430 1.00 1.28 H new ATOM 0 HB3 PRO A 103 1.323 14.628 8.283 1.00 1.28 H new ATOM 0 HG2 PRO A 103 3.409 14.123 9.859 1.00 1.36 H new ATOM 0 HG3 PRO A 103 2.199 15.287 10.361 1.00 1.36 H new ATOM 0 HD2 PRO A 103 2.649 12.488 11.351 1.00 1.42 H new ATOM 0 HD3 PRO A 103 2.062 13.887 12.228 1.00 1.42 H new ATOM 1358 N LEU A 104 -1.803 12.399 8.659 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.565 11.399 7.920 1.00 0.93 C ATOM 1360 C LEU A 104 -1.927 11.117 6.561 1.00 0.85 C ATOM 1361 O LEU A 104 -2.003 10.001 6.048 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.013 11.867 7.740 1.00 1.11 C ATOM 1363 CG LEU A 104 -5.079 10.893 8.250 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -4.826 9.490 7.718 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -5.112 10.889 9.771 1.00 1.51 C ATOM 0 H LEU A 104 -2.357 13.186 8.995 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.560 10.473 8.495 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.137 12.820 8.255 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.189 12.052 6.680 1.00 1.11 H new ATOM 0 HG LEU A 104 -6.050 11.226 7.884 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -5.595 8.815 8.093 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -4.854 9.503 6.628 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -3.847 9.146 8.051 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.875 10.192 10.117 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.139 10.582 10.155 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -5.345 11.890 10.132 1.00 1.51 H new ATOM 1371 N MET A 105 -1.293 12.134 5.988 1.00 0.98 N ATOM 1372 CA MET A 105 -0.634 11.998 4.692 1.00 0.99 C ATOM 1373 C MET A 105 0.348 10.830 4.704 1.00 0.76 C ATOM 1374 O MET A 105 0.289 9.945 3.851 1.00 0.81 O ATOM 1375 CB MET A 105 0.093 13.297 4.336 1.00 1.22 C ATOM 1376 CG MET A 105 -0.421 13.958 3.068 1.00 1.08 C ATOM 1377 SD MET A 105 -1.595 15.285 3.404 1.00 1.56 S ATOM 1378 CE MET A 105 -3.020 14.346 3.945 1.00 1.27 C ATOM 0 H MET A 105 -1.221 13.064 6.401 1.00 0.98 H new ATOM 0 HA MET A 105 -1.394 11.797 3.937 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.006 13.997 5.166 1.00 1.22 H new ATOM 0 HB3 MET A 105 1.156 13.088 4.220 1.00 1.22 H new ATOM 0 HG2 MET A 105 0.422 14.358 2.504 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.898 13.207 2.439 1.00 1.08 H new ATOM 0 HE1 MET A 105 -3.851 15.025 4.139 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.305 13.637 3.168 1.00 1.27 H new ATOM 0 HE3 MET A 105 -2.773 13.804 4.858 1.00 1.27 H new ATOM 1388 N ALA A 106 1.247 10.834 5.682 1.00 0.70 N ATOM 1389 CA ALA A 106 2.238 9.775 5.812 1.00 0.63 C ATOM 1390 C ALA A 106 1.583 8.453 6.204 1.00 0.54 C ATOM 1391 O ALA A 106 2.138 7.381 5.970 1.00 0.61 O ATOM 1392 CB ALA A 106 3.294 10.167 6.835 1.00 0.84 C ATOM 0 H ALA A 106 1.309 11.560 6.396 1.00 0.70 H new ATOM 0 HA ALA A 106 2.718 9.638 4.843 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.029 9.367 6.923 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.790 11.082 6.513 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.820 10.332 7.802 1.00 0.84 H new ATOM 1398 N HIS A 107 0.398 8.538 6.806 1.00 0.53 N ATOM 1399 CA HIS A 107 -0.332 7.349 7.237 1.00 0.60 C ATOM 1400 C HIS A 107 -0.532 6.372 6.081 1.00 0.55 C ATOM 1401 O HIS A 107 -0.057 5.240 6.130 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.687 7.738 7.829 1.00 0.70 C ATOM 1403 CG HIS A 107 -2.362 6.619 8.560 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -1.670 5.656 9.266 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -3.674 6.311 8.694 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -2.527 4.804 9.801 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -3.749 5.180 9.470 1.00 2.34 N ATOM 0 H HIS A 107 -0.076 9.418 7.006 1.00 0.53 H new ATOM 0 HA HIS A 107 0.264 6.855 8.004 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.549 8.577 8.512 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -2.339 8.084 7.027 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -0.655 5.609 9.360 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -4.506 6.853 8.270 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -2.272 3.946 10.406 1.00 2.26 H new ATOM 1416 N TRP A 108 -1.241 6.812 5.047 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.501 5.961 3.889 1.00 0.46 C ATOM 1418 C TRP A 108 -0.200 5.589 3.181 1.00 0.43 C ATOM 1419 O TRP A 108 0.040 4.419 2.877 1.00 0.47 O ATOM 1420 CB TRP A 108 -2.453 6.662 2.914 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.681 7.211 3.578 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.757 6.503 4.032 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -3.958 8.586 3.863 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.683 7.354 4.585 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.213 8.639 4.495 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -3.264 9.777 3.648 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -5.785 9.839 4.914 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -3.833 10.966 4.063 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -5.083 10.988 4.691 1.00 2.00 C ATOM 0 H TRP A 108 -1.644 7.747 4.986 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.972 5.044 4.242 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.922 7.475 2.419 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -2.752 5.957 2.138 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -4.864 5.430 3.966 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.574 7.076 4.995 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -2.298 9.770 3.165 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -6.750 9.859 5.398 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -3.304 11.893 3.900 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -5.501 11.933 5.006 1.00 2.00 H new ATOM 1440 N ALA A 109 0.638 6.592 2.923 1.00 0.47 N ATOM 1441 CA ALA A 109 1.916 6.373 2.252 1.00 0.51 C ATOM 1442 C ALA A 109 2.745 5.309 2.966 1.00 0.49 C ATOM 1443 O ALA A 109 3.394 4.481 2.329 1.00 0.64 O ATOM 1444 CB ALA A 109 2.694 7.676 2.164 1.00 0.62 C ATOM 0 H ALA A 109 0.454 7.565 3.169 1.00 0.47 H new ATOM 0 HA ALA A 109 1.708 6.014 1.244 1.00 0.51 H new ATOM 0 HB1 ALA A 109 3.645 7.499 1.662 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.116 8.407 1.599 1.00 0.62 H new ATOM 0 HB3 ALA A 109 2.880 8.057 3.168 1.00 0.62 H new ATOM 1450 N HIS A 110 2.717 5.334 4.292 1.00 0.44 N ATOM 1451 CA HIS A 110 3.463 4.366 5.084 1.00 0.53 C ATOM 1452 C HIS A 110 2.669 3.075 5.235 1.00 0.60 C ATOM 1453 O HIS A 110 3.208 1.979 5.086 1.00 0.86 O ATOM 1454 CB HIS A 110 3.793 4.943 6.462 1.00 0.57 C ATOM 1455 CG HIS A 110 5.090 4.446 7.022 1.00 1.03 C ATOM 1456 ND1 HIS A 110 5.799 3.402 6.466 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.806 4.856 8.096 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.895 3.191 7.172 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.924 4.060 8.166 1.00 2.16 N ATOM 0 H HIS A 110 2.187 6.012 4.840 1.00 0.44 H new ATOM 0 HA HIS A 110 4.395 4.145 4.564 1.00 0.53 H new ATOM 0 HB2 HIS A 110 3.829 6.030 6.393 1.00 0.57 H new ATOM 0 HB3 HIS A 110 2.988 4.694 7.154 1.00 0.57 H new ATOM 0 HD2 HIS A 110 5.547 5.658 8.771 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.641 2.436 6.971 1.00 1.93 H new ATOM 0 HE2 HIS A 110 7.657 4.129 8.871 1.00 2.16 H new ATOM 1468 N MET A 111 1.383 3.218 5.533 1.00 0.50 N ATOM 1469 CA MET A 111 0.504 2.070 5.711 1.00 0.59 C ATOM 1470 C MET A 111 0.488 1.179 4.472 1.00 0.59 C ATOM 1471 O MET A 111 0.223 -0.019 4.566 1.00 0.78 O ATOM 1472 CB MET A 111 -0.916 2.542 6.035 1.00 0.63 C ATOM 1473 CG MET A 111 -1.118 2.908 7.499 1.00 1.24 C ATOM 1474 SD MET A 111 -0.653 1.577 8.626 1.00 2.04 S ATOM 1475 CE MET A 111 -1.083 0.140 7.649 1.00 1.59 C ATOM 0 H MET A 111 0.925 4.121 5.657 1.00 0.50 H new ATOM 0 HA MET A 111 0.889 1.480 6.543 1.00 0.59 H new ATOM 0 HB2 MET A 111 -1.152 3.408 5.417 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.621 1.756 5.765 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.530 3.796 7.731 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.164 3.167 7.663 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.109 -0.741 8.290 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.063 0.288 7.196 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.339 -0.003 6.865 1.00 1.59 H new ATOM 1485 N VAL A 112 0.772 1.761 3.310 1.00 0.51 N ATOM 1486 CA VAL A 112 0.784 0.995 2.068 1.00 0.58 C ATOM 1487 C VAL A 112 2.107 0.251 1.888 1.00 0.64 C ATOM 1488 O VAL A 112 2.123 -0.957 1.635 1.00 0.78 O ATOM 1489 CB VAL A 112 0.521 1.890 0.837 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.879 2.483 0.896 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.566 2.989 0.727 1.00 1.42 C ATOM 0 H VAL A 112 0.995 2.751 3.203 1.00 0.51 H new ATOM 0 HA VAL A 112 -0.025 0.268 2.143 1.00 0.58 H new ATOM 0 HB VAL A 112 0.594 1.267 -0.055 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -1.046 3.110 0.020 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.614 1.679 0.911 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.981 3.085 1.799 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.357 3.604 -0.148 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.537 3.610 1.622 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.555 2.542 0.628 1.00 1.42 H new ATOM 1495 N VAL A 113 3.218 0.973 2.022 1.00 0.61 N ATOM 1496 CA VAL A 113 4.538 0.371 1.873 1.00 0.72 C ATOM 1497 C VAL A 113 4.818 -0.631 2.987 1.00 0.82 C ATOM 1498 O VAL A 113 5.284 -1.740 2.732 1.00 1.03 O ATOM 1499 CB VAL A 113 5.649 1.440 1.859 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.012 0.801 1.626 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.360 2.497 0.801 1.00 0.63 C ATOM 0 H VAL A 113 3.229 1.971 2.233 1.00 0.61 H new ATOM 0 HA VAL A 113 4.539 -0.150 0.916 1.00 0.72 H new ATOM 0 HB VAL A 113 5.667 1.927 2.834 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.780 1.574 1.620 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.221 0.088 2.424 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.012 0.283 0.667 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.155 3.243 0.806 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.311 2.025 -0.180 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.408 2.980 1.020 1.00 0.63 H new ATOM 1505 N HIS A 114 4.535 -0.236 4.225 1.00 0.75 N ATOM 1506 CA HIS A 114 4.764 -1.110 5.369 1.00 0.85 C ATOM 1507 C HIS A 114 3.926 -2.380 5.255 1.00 0.96 C ATOM 1508 O HIS A 114 4.394 -3.474 5.565 1.00 1.08 O ATOM 1509 CB HIS A 114 4.455 -0.369 6.682 1.00 0.89 C ATOM 1510 CG HIS A 114 3.279 -0.915 7.442 1.00 0.99 C ATOM 1511 ND1 HIS A 114 3.409 -1.629 8.614 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.949 -0.857 7.186 1.00 1.57 C ATOM 1513 CE1 HIS A 114 2.212 -1.990 9.043 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.308 -1.534 8.194 1.00 1.36 N ATOM 0 H HIS A 114 4.149 0.678 4.460 1.00 0.75 H new ATOM 0 HA HIS A 114 5.815 -1.398 5.376 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.336 -0.408 7.323 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.271 0.682 6.457 1.00 0.89 H new ATOM 0 HD1 HIS A 114 4.291 -1.845 9.078 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.480 -0.368 6.345 1.00 1.57 H new ATOM 0 HE1 HIS A 114 2.007 -2.561 9.936 1.00 1.30 H new ATOM 1523 N GLY A 115 2.684 -2.223 4.816 1.00 1.03 N ATOM 1524 CA GLY A 115 1.798 -3.361 4.677 1.00 1.18 C ATOM 1525 C GLY A 115 2.120 -4.212 3.465 1.00 1.20 C ATOM 1526 O GLY A 115 1.783 -5.396 3.428 1.00 1.36 O ATOM 0 H GLY A 115 2.274 -1.326 4.554 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.861 -3.976 5.574 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.769 -3.008 4.604 1.00 1.18 H new ATOM 1530 N SER A 116 2.765 -3.615 2.468 1.00 1.17 N ATOM 1531 CA SER A 116 3.115 -4.342 1.252 1.00 1.26 C ATOM 1532 C SER A 116 4.359 -5.205 1.452 1.00 1.36 C ATOM 1533 O SER A 116 4.294 -6.431 1.367 1.00 1.63 O ATOM 1534 CB SER A 116 3.346 -3.367 0.096 1.00 1.31 C ATOM 1535 OG SER A 116 2.167 -2.637 -0.199 1.00 1.72 O ATOM 0 H SER A 116 3.054 -2.637 2.477 1.00 1.17 H new ATOM 0 HA SER A 116 2.279 -4.999 1.012 1.00 1.26 H new ATOM 0 HB2 SER A 116 4.150 -2.677 0.353 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.668 -3.917 -0.789 1.00 1.31 H new ATOM 0 HG SER A 116 2.274 -1.709 0.098 1.00 1.72 H new ATOM 1541 N LEU A 117 5.493 -4.558 1.699 1.00 1.28 N ATOM 1542 CA LEU A 117 6.756 -5.264 1.887 1.00 1.49 C ATOM 1543 C LEU A 117 6.706 -6.213 3.081 1.00 1.69 C ATOM 1544 O LEU A 117 7.081 -7.379 2.974 1.00 1.94 O ATOM 1545 CB LEU A 117 7.896 -4.266 2.073 1.00 1.49 C ATOM 1546 CG LEU A 117 9.296 -4.847 1.878 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.316 -3.736 1.718 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.664 -5.750 3.045 1.00 2.38 C ATOM 0 H LEU A 117 5.564 -3.543 1.774 1.00 1.28 H new ATOM 0 HA LEU A 117 6.931 -5.860 0.991 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.758 -3.444 1.371 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.830 -3.843 3.076 1.00 1.49 H new ATOM 0 HG LEU A 117 9.298 -5.446 0.967 1.00 1.78 H new ATOM 0 HD11 LEU A 117 11.307 -4.169 1.580 1.00 2.07 H new ATOM 0 HD12 LEU A 117 10.061 -3.130 0.849 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.315 -3.110 2.610 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.664 -6.155 2.890 1.00 2.38 H new ATOM 0 HD22 LEU A 117 9.645 -5.174 3.970 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.947 -6.568 3.112 1.00 2.38 H new ATOM 1554 N HIS A 118 6.250 -5.711 4.218 1.00 1.70 N ATOM 1555 CA HIS A 118 6.164 -6.521 5.428 1.00 2.04 C ATOM 1556 C HIS A 118 5.371 -7.806 5.190 1.00 2.25 C ATOM 1557 O HIS A 118 5.483 -8.761 5.958 1.00 2.60 O ATOM 1558 CB HIS A 118 5.524 -5.718 6.562 1.00 2.10 C ATOM 1559 CG HIS A 118 5.702 -6.343 7.911 1.00 2.30 C ATOM 1560 ND1 HIS A 118 6.892 -6.897 8.334 1.00 2.63 N ATOM 1561 CD2 HIS A 118 4.831 -6.500 8.936 1.00 2.93 C ATOM 1562 CE1 HIS A 118 6.746 -7.367 9.559 1.00 3.13 C ATOM 1563 NE2 HIS A 118 5.505 -7.138 9.948 1.00 3.28 N ATOM 0 H HIS A 118 5.934 -4.748 4.331 1.00 1.70 H new ATOM 0 HA HIS A 118 7.180 -6.798 5.710 1.00 2.04 H new ATOM 0 HB2 HIS A 118 5.954 -4.716 6.575 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.459 -5.605 6.360 1.00 2.10 H new ATOM 0 HD2 HIS A 118 3.799 -6.183 8.954 1.00 2.93 H new ATOM 0 HE1 HIS A 118 7.511 -7.856 10.144 1.00 3.13 H new ATOM 0 HE2 HIS A 118 5.111 -7.394 10.853 1.00 3.28 H new ATOM 1572 N LEU A 119 4.552 -7.818 4.141 1.00 2.15 N ATOM 1573 CA LEU A 119 3.729 -8.984 3.838 1.00 2.45 C ATOM 1574 C LEU A 119 4.410 -9.967 2.887 1.00 2.53 C ATOM 1575 O LEU A 119 4.274 -11.179 3.056 1.00 2.98 O ATOM 1576 CB LEU A 119 2.389 -8.549 3.244 1.00 2.52 C ATOM 1577 CG LEU A 119 1.409 -9.695 2.971 1.00 2.47 C ATOM 1578 CD1 LEU A 119 0.055 -9.401 3.595 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.269 -9.939 1.474 1.00 2.27 C ATOM 0 H LEU A 119 4.441 -7.039 3.491 1.00 2.15 H new ATOM 0 HA LEU A 119 3.572 -9.502 4.784 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.918 -7.840 3.925 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.576 -8.018 2.310 1.00 2.52 H new ATOM 0 HG LEU A 119 1.807 -10.601 3.428 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.627 -10.226 3.390 1.00 3.30 H new ATOM 0 HD12 LEU A 119 0.169 -9.283 4.673 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.350 -8.482 3.170 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.569 -10.757 1.303 1.00 2.27 H new ATOM 0 HD22 LEU A 119 0.897 -9.035 0.991 1.00 2.27 H new ATOM 0 HD23 LEU A 119 2.241 -10.200 1.055 1.00 2.27 H new ATOM 1585 N LEU A 120 5.118 -9.470 1.871 1.00 2.25 N ATOM 1586 CA LEU A 120 5.761 -10.372 0.914 1.00 2.47 C ATOM 1587 C LEU A 120 7.139 -9.890 0.458 1.00 2.57 C ATOM 1588 O LEU A 120 7.793 -10.560 -0.341 1.00 3.07 O ATOM 1589 CB LEU A 120 4.845 -10.583 -0.303 1.00 2.62 C ATOM 1590 CG LEU A 120 4.864 -9.478 -1.368 1.00 2.70 C ATOM 1591 CD1 LEU A 120 4.810 -8.100 -0.727 1.00 3.20 C ATOM 1592 CD2 LEU A 120 6.092 -9.607 -2.256 1.00 2.88 C ATOM 0 H LEU A 120 5.259 -8.476 1.692 1.00 2.25 H new ATOM 0 HA LEU A 120 5.920 -11.317 1.433 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.121 -11.523 -0.780 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.822 -10.696 0.055 1.00 2.62 H new ATOM 0 HG LEU A 120 3.976 -9.596 -1.989 1.00 2.70 H new ATOM 0 HD11 LEU A 120 4.825 -7.336 -1.505 1.00 3.20 H new ATOM 0 HD12 LEU A 120 3.894 -8.006 -0.143 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.672 -7.969 -0.073 1.00 3.20 H new ATOM 0 HD21 LEU A 120 6.085 -8.814 -3.004 1.00 2.88 H new ATOM 0 HD22 LEU A 120 6.992 -9.524 -1.647 1.00 2.88 H new ATOM 0 HD23 LEU A 120 6.080 -10.576 -2.755 1.00 2.88 H new ATOM 1598 N GLY A 121 7.586 -8.742 0.953 1.00 2.56 N ATOM 1599 CA GLY A 121 8.888 -8.236 0.554 1.00 3.27 C ATOM 1600 C GLY A 121 9.006 -8.100 -0.952 1.00 3.49 C ATOM 1601 O GLY A 121 9.734 -8.855 -1.595 1.00 4.12 O ATOM 0 H GLY A 121 7.078 -8.157 1.616 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.059 -7.266 1.020 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.666 -8.907 0.920 1.00 3.27 H new ATOM 1605 N TYR A 122 8.272 -7.146 -1.515 1.00 3.41 N ATOM 1606 CA TYR A 122 8.277 -6.923 -2.959 1.00 4.05 C ATOM 1607 C TYR A 122 9.585 -6.293 -3.452 1.00 4.04 C ATOM 1608 O TYR A 122 9.648 -5.786 -4.572 1.00 4.29 O ATOM 1609 CB TYR A 122 7.073 -6.068 -3.383 1.00 4.92 C ATOM 1610 CG TYR A 122 7.043 -4.672 -2.793 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.639 -4.455 -1.480 1.00 5.07 C ATOM 1612 CD2 TYR A 122 7.404 -3.569 -3.557 1.00 5.29 C ATOM 1613 CE1 TYR A 122 6.600 -3.181 -0.948 1.00 5.49 C ATOM 1614 CE2 TYR A 122 7.366 -2.292 -3.029 1.00 5.72 C ATOM 1615 CZ TYR A 122 6.965 -2.104 -1.725 1.00 5.83 C ATOM 1616 OH TYR A 122 6.925 -0.834 -1.198 1.00 6.50 O ATOM 0 H TYR A 122 7.665 -6.513 -0.994 1.00 3.41 H new ATOM 0 HA TYR A 122 8.198 -7.903 -3.429 1.00 4.05 H new ATOM 0 HB2 TYR A 122 7.068 -5.988 -4.470 1.00 4.92 H new ATOM 0 HB3 TYR A 122 6.158 -6.587 -3.097 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.351 -5.296 -0.867 1.00 5.07 H new ATOM 0 HD2 TYR A 122 7.719 -3.712 -4.580 1.00 5.29 H new ATOM 0 HE1 TYR A 122 6.284 -3.030 0.074 1.00 5.49 H new ATOM 0 HE2 TYR A 122 7.650 -1.445 -3.637 1.00 5.72 H new ATOM 0 HH TYR A 122 7.214 -0.189 -1.877 1.00 6.50 H new ATOM 1626 N ASP A 123 10.631 -6.339 -2.626 1.00 4.20 N ATOM 1627 CA ASP A 123 11.928 -5.787 -3.001 1.00 4.65 C ATOM 1628 C ASP A 123 12.821 -6.868 -3.615 1.00 4.02 C ATOM 1629 O ASP A 123 14.047 -6.762 -3.586 1.00 4.67 O ATOM 1630 CB ASP A 123 12.621 -5.181 -1.778 1.00 5.43 C ATOM 1631 CG ASP A 123 13.381 -3.912 -2.111 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.203 -3.942 -3.051 1.00 6.57 O ATOM 1633 OD2 ASP A 123 13.152 -2.889 -1.434 1.00 6.82 O ATOM 0 H ASP A 123 10.603 -6.753 -1.694 1.00 4.20 H new ATOM 0 HA ASP A 123 11.761 -5.006 -3.743 1.00 4.65 H new ATOM 0 HB2 ASP A 123 11.876 -4.964 -1.012 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.309 -5.913 -1.355 1.00 5.43 H new ATOM 1638 N HIS A 124 12.198 -7.910 -4.161 1.00 2.97 N ATOM 1639 CA HIS A 124 12.935 -9.017 -4.771 1.00 2.45 C ATOM 1640 C HIS A 124 13.898 -8.526 -5.847 1.00 2.10 C ATOM 1641 O HIS A 124 13.950 -7.335 -6.149 1.00 2.45 O ATOM 1642 CB HIS A 124 11.976 -10.051 -5.371 1.00 2.23 C ATOM 1643 CG HIS A 124 10.711 -9.470 -5.929 1.00 2.36 C ATOM 1644 ND1 HIS A 124 9.506 -9.251 -5.349 1.00 2.46 N flip ATOM 1645 CD2 HIS A 124 10.589 -9.042 -7.234 1.00 2.98 C flip ATOM 1646 CE1 HIS A 124 8.688 -8.700 -6.305 1.00 2.83 C flip ATOM 1647 NE2 HIS A 124 9.364 -8.583 -7.432 1.00 3.06 N flip ATOM 0 H HIS A 124 11.184 -8.012 -4.194 1.00 2.97 H new ATOM 0 HA HIS A 124 13.516 -9.488 -3.978 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.493 -10.592 -6.163 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.719 -10.780 -4.602 1.00 2.23 H new ATOM 0 HD2 HIS A 124 11.371 -9.076 -7.978 1.00 2.98 H new ATOM 0 HE1 HIS A 124 7.658 -8.410 -6.158 1.00 2.83 H new ATOM 0 HE2 HIS A 124 9.003 -8.203 -8.307 1.00 3.06 H new ATOM 1656 N ILE A 125 14.654 -9.469 -6.414 1.00 1.91 N ATOM 1657 CA ILE A 125 15.636 -9.182 -7.463 1.00 2.11 C ATOM 1658 C ILE A 125 16.524 -7.990 -7.110 1.00 2.10 C ATOM 1659 O ILE A 125 16.049 -6.877 -6.891 1.00 1.90 O ATOM 1660 CB ILE A 125 14.970 -8.948 -8.835 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.964 -7.799 -8.771 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.293 -10.224 -9.318 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.456 -7.375 -10.130 1.00 3.27 C ATOM 0 H ILE A 125 14.603 -10.455 -6.158 1.00 1.91 H new ATOM 0 HA ILE A 125 16.264 -10.070 -7.533 1.00 2.11 H new ATOM 0 HB ILE A 125 15.748 -8.672 -9.547 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.119 -8.099 -8.152 1.00 2.52 H new ATOM 0 HG13 ILE A 125 14.430 -6.944 -8.282 1.00 2.52 H new ATOM 0 HG21 ILE A 125 13.827 -10.044 -10.287 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.036 -11.016 -9.414 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.531 -10.526 -8.600 1.00 2.86 H new ATOM 0 HD11 ILE A 125 12.746 -6.556 -10.014 1.00 3.27 H new ATOM 0 HD12 ILE A 125 14.293 -7.045 -10.745 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.962 -8.218 -10.613 1.00 3.27 H new ATOM 1667 N GLU A 126 17.827 -8.240 -7.052 1.00 2.54 N ATOM 1668 CA GLU A 126 18.794 -7.200 -6.720 1.00 2.75 C ATOM 1669 C GLU A 126 19.186 -6.378 -7.948 1.00 2.70 C ATOM 1670 O GLU A 126 20.053 -5.509 -7.865 1.00 2.83 O ATOM 1671 CB GLU A 126 20.043 -7.826 -6.099 1.00 3.67 C ATOM 1672 CG GLU A 126 20.745 -8.818 -7.013 1.00 4.39 C ATOM 1673 CD GLU A 126 22.163 -9.116 -6.570 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.333 -9.724 -5.492 1.00 5.87 O ATOM 1675 OE2 GLU A 126 23.104 -8.740 -7.300 1.00 6.01 O ATOM 0 H GLU A 126 18.239 -9.156 -7.231 1.00 2.54 H new ATOM 0 HA GLU A 126 18.323 -6.528 -6.003 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.742 -7.033 -5.832 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.765 -8.331 -5.174 1.00 3.67 H new ATOM 0 HG2 GLU A 126 20.175 -9.746 -7.042 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.761 -8.422 -8.028 1.00 4.39 H new ATOM 1682 N ASP A 127 18.559 -6.661 -9.088 1.00 2.79 N ATOM 1683 CA ASP A 127 18.872 -5.944 -10.321 1.00 3.14 C ATOM 1684 C ASP A 127 18.017 -4.687 -10.491 1.00 2.88 C ATOM 1685 O ASP A 127 18.525 -3.568 -10.416 1.00 3.08 O ATOM 1686 CB ASP A 127 18.686 -6.868 -11.528 1.00 3.66 C ATOM 1687 CG ASP A 127 19.995 -7.181 -12.224 1.00 4.67 C ATOM 1688 OD1 ASP A 127 20.827 -7.900 -11.631 1.00 5.15 O ATOM 1689 OD2 ASP A 127 20.190 -6.707 -13.363 1.00 5.29 O ATOM 0 H ASP A 127 17.837 -7.376 -9.183 1.00 2.79 H new ATOM 0 HA ASP A 127 19.913 -5.627 -10.257 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.220 -7.798 -11.202 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.003 -6.401 -12.238 1.00 3.66 H new ATOM 1694 N ASP A 128 16.725 -4.876 -10.744 1.00 2.70 N ATOM 1695 CA ASP A 128 15.814 -3.752 -10.952 1.00 2.87 C ATOM 1696 C ASP A 128 15.046 -3.380 -9.684 1.00 2.37 C ATOM 1697 O ASP A 128 15.386 -2.412 -9.004 1.00 2.51 O ATOM 1698 CB ASP A 128 14.831 -4.075 -12.080 1.00 3.34 C ATOM 1699 CG ASP A 128 15.292 -3.536 -13.419 1.00 3.82 C ATOM 1700 OD1 ASP A 128 15.497 -2.308 -13.526 1.00 4.15 O ATOM 1701 OD2 ASP A 128 15.451 -4.341 -14.360 1.00 4.30 O ATOM 0 H ASP A 128 16.285 -5.794 -10.810 1.00 2.70 H new ATOM 0 HA ASP A 128 16.423 -2.891 -11.227 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.705 -5.155 -12.150 1.00 3.34 H new ATOM 0 HB3 ASP A 128 13.855 -3.655 -11.839 1.00 3.34 H new ATOM 1706 N GLU A 129 13.993 -4.140 -9.395 1.00 2.02 N ATOM 1707 CA GLU A 129 13.140 -3.890 -8.231 1.00 1.94 C ATOM 1708 C GLU A 129 13.949 -3.486 -7.000 1.00 1.62 C ATOM 1709 O GLU A 129 13.483 -2.704 -6.176 1.00 1.65 O ATOM 1710 CB GLU A 129 12.301 -5.128 -7.913 1.00 2.14 C ATOM 1711 CG GLU A 129 11.213 -4.875 -6.883 1.00 3.04 C ATOM 1712 CD GLU A 129 10.039 -4.105 -7.453 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.213 -3.445 -8.499 1.00 4.72 O ATOM 1714 OE2 GLU A 129 8.944 -4.162 -6.855 1.00 4.68 O ATOM 0 H GLU A 129 13.706 -4.942 -9.956 1.00 2.02 H new ATOM 0 HA GLU A 129 12.485 -3.057 -8.486 1.00 1.94 H new ATOM 0 HB2 GLU A 129 11.842 -5.492 -8.832 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.958 -5.919 -7.550 1.00 2.14 H new ATOM 0 HG2 GLU A 129 10.861 -5.829 -6.490 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.634 -4.320 -6.044 1.00 3.04 H new ATOM 1721 N ALA A 130 15.156 -4.018 -6.874 1.00 1.57 N ATOM 1722 CA ALA A 130 16.004 -3.697 -5.733 1.00 1.56 C ATOM 1723 C ALA A 130 16.179 -2.188 -5.582 1.00 1.41 C ATOM 1724 O ALA A 130 15.575 -1.567 -4.705 1.00 1.33 O ATOM 1725 CB ALA A 130 17.354 -4.379 -5.876 1.00 1.92 C ATOM 0 H ALA A 130 15.569 -4.669 -7.542 1.00 1.57 H new ATOM 0 HA ALA A 130 15.516 -4.067 -4.831 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.979 -4.132 -5.018 1.00 1.92 H new ATOM 0 HB2 ALA A 130 17.213 -5.459 -5.923 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.840 -4.036 -6.790 1.00 1.92 H new ATOM 1731 N GLU A 131 17.007 -1.605 -6.444 1.00 1.46 N ATOM 1732 CA GLU A 131 17.259 -0.168 -6.408 1.00 1.46 C ATOM 1733 C GLU A 131 15.960 0.622 -6.540 1.00 1.38 C ATOM 1734 O GLU A 131 15.758 1.624 -5.855 1.00 1.37 O ATOM 1735 CB GLU A 131 18.224 0.228 -7.526 1.00 1.66 C ATOM 1736 CG GLU A 131 19.676 -0.106 -7.224 1.00 1.92 C ATOM 1737 CD GLU A 131 20.566 -0.001 -8.447 1.00 2.55 C ATOM 1738 OE1 GLU A 131 21.015 1.121 -8.759 1.00 2.84 O ATOM 1739 OE2 GLU A 131 20.813 -1.042 -9.093 1.00 3.30 O ATOM 0 H GLU A 131 17.514 -2.104 -7.175 1.00 1.46 H new ATOM 0 HA GLU A 131 17.709 0.070 -5.444 1.00 1.46 H new ATOM 0 HB2 GLU A 131 17.928 -0.276 -8.446 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.137 1.299 -7.707 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.046 0.567 -6.451 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.736 -1.117 -6.821 1.00 1.92 H new ATOM 1746 N GLU A 132 15.082 0.163 -7.427 1.00 1.44 N ATOM 1747 CA GLU A 132 13.803 0.826 -7.650 1.00 1.53 C ATOM 1748 C GLU A 132 12.967 0.849 -6.374 1.00 1.29 C ATOM 1749 O GLU A 132 12.649 1.915 -5.849 1.00 1.22 O ATOM 1750 CB GLU A 132 13.029 0.123 -8.766 1.00 1.86 C ATOM 1751 CG GLU A 132 13.763 0.102 -10.097 1.00 2.46 C ATOM 1752 CD GLU A 132 13.692 1.432 -10.822 1.00 2.96 C ATOM 1753 OE1 GLU A 132 13.582 2.473 -10.142 1.00 3.37 O ATOM 1754 OE2 GLU A 132 13.747 1.432 -12.070 1.00 3.44 O ATOM 0 H GLU A 132 15.234 -0.665 -8.003 1.00 1.44 H new ATOM 0 HA GLU A 132 14.005 1.855 -7.947 1.00 1.53 H new ATOM 0 HB2 GLU A 132 12.819 -0.902 -8.461 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.068 0.620 -8.899 1.00 1.86 H new ATOM 0 HG2 GLU A 132 14.807 -0.160 -9.928 1.00 2.46 H new ATOM 0 HG3 GLU A 132 13.337 -0.676 -10.730 1.00 2.46 H new ATOM 1761 N MET A 133 12.614 -0.335 -5.880 1.00 1.28 N ATOM 1762 CA MET A 133 11.813 -0.448 -4.667 1.00 1.23 C ATOM 1763 C MET A 133 12.489 0.260 -3.499 1.00 0.98 C ATOM 1764 O MET A 133 11.863 1.051 -2.795 1.00 0.92 O ATOM 1765 CB MET A 133 11.567 -1.916 -4.318 1.00 1.53 C ATOM 1766 CG MET A 133 10.209 -2.165 -3.685 1.00 1.39 C ATOM 1767 SD MET A 133 10.314 -3.075 -2.132 1.00 2.20 S ATOM 1768 CE MET A 133 10.656 -1.745 -0.984 1.00 2.47 C ATOM 0 H MET A 133 12.870 -1.228 -6.301 1.00 1.28 H new ATOM 0 HA MET A 133 10.854 0.034 -4.855 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.653 -2.517 -5.223 1.00 1.53 H new ATOM 0 HB3 MET A 133 12.346 -2.255 -3.635 1.00 1.53 H new ATOM 0 HG2 MET A 133 9.716 -1.209 -3.507 1.00 1.39 H new ATOM 0 HG3 MET A 133 9.584 -2.721 -4.384 1.00 1.39 H new ATOM 0 HE1 MET A 133 11.351 -2.093 -0.220 1.00 2.47 H new ATOM 0 HE2 MET A 133 11.098 -0.906 -1.521 1.00 2.47 H new ATOM 0 HE3 MET A 133 9.728 -1.425 -0.511 1.00 2.47 H new ATOM 1778 N GLU A 134 13.773 -0.019 -3.301 1.00 1.00 N ATOM 1779 CA GLU A 134 14.524 0.607 -2.219 1.00 0.98 C ATOM 1780 C GLU A 134 14.505 2.125 -2.366 1.00 0.85 C ATOM 1781 O GLU A 134 14.160 2.850 -1.430 1.00 0.92 O ATOM 1782 CB GLU A 134 15.966 0.098 -2.207 1.00 1.17 C ATOM 1783 CG GLU A 134 16.103 -1.328 -1.703 1.00 1.00 C ATOM 1784 CD GLU A 134 17.473 -1.611 -1.115 1.00 1.57 C ATOM 1785 OE1 GLU A 134 17.980 -0.760 -0.354 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.038 -2.682 -1.416 1.00 2.40 O ATOM 0 H GLU A 134 14.312 -0.670 -3.871 1.00 1.00 H new ATOM 0 HA GLU A 134 14.051 0.342 -1.274 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.372 0.158 -3.217 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.569 0.755 -1.581 1.00 1.17 H new ATOM 0 HG2 GLU A 134 15.341 -1.517 -0.947 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.915 -2.019 -2.524 1.00 1.00 H new ATOM 1793 N SER A 135 14.870 2.597 -3.554 1.00 0.80 N ATOM 1794 CA SER A 135 14.895 4.027 -3.837 1.00 0.84 C ATOM 1795 C SER A 135 13.515 4.646 -3.640 1.00 0.80 C ATOM 1796 O SER A 135 13.344 5.559 -2.829 1.00 0.82 O ATOM 1797 CB SER A 135 15.380 4.276 -5.266 1.00 0.97 C ATOM 1798 OG SER A 135 15.264 5.645 -5.612 1.00 1.29 O ATOM 0 H SER A 135 15.153 2.008 -4.337 1.00 0.80 H new ATOM 0 HA SER A 135 15.586 4.498 -3.138 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.419 3.960 -5.361 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.798 3.671 -5.962 1.00 0.97 H new ATOM 0 HG SER A 135 15.582 5.779 -6.529 1.00 1.29 H new ATOM 1804 N LEU A 136 12.528 4.148 -4.383 1.00 0.81 N ATOM 1805 CA LEU A 136 11.170 4.666 -4.277 1.00 0.87 C ATOM 1806 C LEU A 136 10.659 4.546 -2.846 1.00 0.73 C ATOM 1807 O LEU A 136 10.107 5.497 -2.296 1.00 0.85 O ATOM 1808 CB LEU A 136 10.225 3.950 -5.251 1.00 0.98 C ATOM 1809 CG LEU A 136 9.995 2.460 -4.986 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.803 2.256 -4.063 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.779 1.720 -6.299 1.00 1.73 C ATOM 0 H LEU A 136 12.644 3.393 -5.059 1.00 0.81 H new ATOM 0 HA LEU A 136 11.193 5.722 -4.548 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.260 4.456 -5.229 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.621 4.063 -6.260 1.00 0.98 H new ATOM 0 HG LEU A 136 10.881 2.056 -4.496 1.00 1.16 H new ATOM 0 HD11 LEU A 136 8.657 1.190 -3.888 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.988 2.758 -3.113 1.00 1.17 H new ATOM 0 HD13 LEU A 136 7.909 2.673 -4.526 1.00 1.17 H new ATOM 0 HD21 LEU A 136 9.617 0.661 -6.097 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.907 2.130 -6.809 1.00 1.73 H new ATOM 0 HD23 LEU A 136 10.658 1.838 -6.932 1.00 1.73 H new ATOM 1817 N GLU A 137 10.862 3.380 -2.236 1.00 0.57 N ATOM 1818 CA GLU A 137 10.430 3.158 -0.860 1.00 0.51 C ATOM 1819 C GLU A 137 11.012 4.229 0.055 1.00 0.52 C ATOM 1820 O GLU A 137 10.289 4.877 0.812 1.00 0.53 O ATOM 1821 CB GLU A 137 10.862 1.772 -0.374 1.00 0.52 C ATOM 1822 CG GLU A 137 10.458 1.476 1.062 1.00 1.16 C ATOM 1823 CD GLU A 137 11.315 0.399 1.699 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.032 -0.306 0.959 1.00 2.54 O ATOM 1825 OE2 GLU A 137 11.270 0.264 2.940 1.00 2.45 O ATOM 0 H GLU A 137 11.320 2.579 -2.671 1.00 0.57 H new ATOM 0 HA GLU A 137 9.342 3.215 -0.831 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.428 1.016 -1.028 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.945 1.687 -0.463 1.00 0.52 H new ATOM 0 HG2 GLU A 137 10.531 2.390 1.652 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.414 1.165 1.085 1.00 1.16 H new ATOM 1832 N THR A 138 12.325 4.413 -0.029 1.00 0.57 N ATOM 1833 CA THR A 138 13.009 5.410 0.784 1.00 0.67 C ATOM 1834 C THR A 138 12.537 6.817 0.418 1.00 0.69 C ATOM 1835 O THR A 138 12.597 7.734 1.235 1.00 0.77 O ATOM 1836 CB THR A 138 14.529 5.280 0.605 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.183 5.302 1.860 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.152 6.367 -0.251 1.00 1.10 C ATOM 0 H THR A 138 12.936 3.885 -0.652 1.00 0.57 H new ATOM 0 HA THR A 138 12.767 5.236 1.832 1.00 0.67 H new ATOM 0 HB THR A 138 14.665 4.328 0.093 1.00 0.82 H new ATOM 0 HG1 THR A 138 16.150 5.217 1.726 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.227 6.200 -0.326 1.00 1.10 H new ATOM 0 HG22 THR A 138 14.711 6.343 -1.247 1.00 1.10 H new ATOM 0 HG23 THR A 138 14.967 7.340 0.205 1.00 1.10 H new ATOM 1843 N GLN A 139 12.074 6.976 -0.819 1.00 0.70 N ATOM 1844 CA GLN A 139 11.599 8.270 -1.296 1.00 0.79 C ATOM 1845 C GLN A 139 10.240 8.620 -0.694 1.00 0.67 C ATOM 1846 O GLN A 139 9.991 9.770 -0.333 1.00 0.67 O ATOM 1847 CB GLN A 139 11.512 8.267 -2.822 1.00 0.92 C ATOM 1848 CG GLN A 139 12.026 9.547 -3.465 1.00 1.04 C ATOM 1849 CD GLN A 139 12.830 9.284 -4.723 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.979 8.847 -4.660 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.227 9.551 -5.876 1.00 1.28 N ATOM 0 H GLN A 139 12.018 6.226 -1.508 1.00 0.70 H new ATOM 0 HA GLN A 139 12.313 9.029 -0.977 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.082 7.422 -3.208 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.474 8.113 -3.118 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.182 10.193 -3.706 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.645 10.086 -2.748 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.273 9.912 -5.881 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.718 9.395 -6.756 1.00 1.28 H new ATOM 1858 N ILE A 140 9.362 7.629 -0.583 1.00 0.60 N ATOM 1859 CA ILE A 140 8.034 7.858 -0.013 1.00 0.52 C ATOM 1860 C ILE A 140 8.086 7.771 1.507 1.00 0.47 C ATOM 1861 O ILE A 140 7.332 8.447 2.206 1.00 0.48 O ATOM 1862 CB ILE A 140 6.965 6.865 -0.543 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.552 5.914 -1.592 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.781 7.628 -1.121 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.513 5.084 -2.318 1.00 1.12 C ATOM 0 H ILE A 140 9.540 6.668 -0.876 1.00 0.60 H new ATOM 0 HA ILE A 140 7.737 8.859 -0.326 1.00 0.52 H new ATOM 0 HB ILE A 140 6.623 6.260 0.297 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.113 6.497 -2.323 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.262 5.245 -1.105 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.038 6.921 -1.490 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.336 8.251 -0.345 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.121 8.259 -1.943 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.006 4.437 -3.043 1.00 1.12 H new ATOM 0 HD12 ILE A 140 5.968 4.473 -1.599 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.817 5.744 -2.835 1.00 1.12 H new ATOM 1869 N MET A 141 8.978 6.930 2.014 1.00 0.47 N ATOM 1870 CA MET A 141 9.128 6.749 3.452 1.00 0.51 C ATOM 1871 C MET A 141 10.084 7.783 4.048 1.00 0.62 C ATOM 1872 O MET A 141 9.728 8.509 4.975 1.00 0.71 O ATOM 1873 CB MET A 141 9.626 5.337 3.758 1.00 0.51 C ATOM 1874 CG MET A 141 8.529 4.284 3.722 1.00 0.53 C ATOM 1875 SD MET A 141 7.681 4.214 2.131 1.00 1.02 S ATOM 1876 CE MET A 141 6.238 5.222 2.469 1.00 0.44 C ATOM 0 H MET A 141 9.610 6.362 1.450 1.00 0.47 H new ATOM 0 HA MET A 141 8.149 6.892 3.910 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.399 5.069 3.038 1.00 0.51 H new ATOM 0 HB3 MET A 141 10.092 5.331 4.743 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.961 3.308 3.942 1.00 0.53 H new ATOM 0 HG3 MET A 141 7.803 4.495 4.507 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.507 5.090 1.671 1.00 0.44 H new ATOM 0 HE2 MET A 141 5.797 4.920 3.419 1.00 0.44 H new ATOM 0 HE3 MET A 141 6.531 6.271 2.522 1.00 0.44 H new ATOM 1886 N GLN A 142 11.307 7.831 3.521 1.00 0.66 N ATOM 1887 CA GLN A 142 12.320 8.762 4.015 1.00 0.79 C ATOM 1888 C GLN A 142 12.224 10.128 3.340 1.00 0.80 C ATOM 1889 O GLN A 142 12.340 11.162 3.998 1.00 0.85 O ATOM 1890 CB GLN A 142 13.720 8.179 3.805 1.00 0.90 C ATOM 1891 CG GLN A 142 14.760 8.734 4.764 1.00 1.34 C ATOM 1892 CD GLN A 142 16.130 8.115 4.562 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.767 7.666 5.514 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.589 8.088 3.317 1.00 1.85 N ATOM 0 H GLN A 142 11.620 7.237 2.753 1.00 0.66 H new ATOM 0 HA GLN A 142 12.136 8.905 5.080 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.674 7.096 3.919 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.038 8.379 2.782 1.00 0.90 H new ATOM 0 HG2 GLN A 142 14.830 9.814 4.632 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.434 8.558 5.789 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.027 8.472 2.558 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.504 7.683 3.120 1.00 1.85 H new ATOM 1901 N GLY A 143 12.031 10.126 2.021 1.00 0.79 N ATOM 1902 CA GLY A 143 11.942 11.373 1.272 1.00 0.84 C ATOM 1903 C GLY A 143 11.129 12.444 1.977 1.00 0.81 C ATOM 1904 O GLY A 143 11.410 13.634 1.840 1.00 1.05 O ATOM 0 H GLY A 143 11.934 9.282 1.456 1.00 0.79 H new ATOM 0 HA2 GLY A 143 12.948 11.752 1.091 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.497 11.172 0.298 1.00 0.84 H new ATOM 1908 N LEU A 144 10.122 12.024 2.734 1.00 0.75 N ATOM 1909 CA LEU A 144 9.272 12.960 3.462 1.00 0.72 C ATOM 1910 C LEU A 144 9.481 12.833 4.969 1.00 0.87 C ATOM 1911 O LEU A 144 9.229 13.775 5.720 1.00 1.01 O ATOM 1912 CB LEU A 144 7.802 12.725 3.114 1.00 0.62 C ATOM 1913 CG LEU A 144 7.520 12.479 1.631 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.426 10.989 1.347 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.241 13.183 1.204 1.00 0.81 C ATOM 0 H LEU A 144 9.874 11.043 2.860 1.00 0.75 H new ATOM 0 HA LEU A 144 9.550 13.970 3.162 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.442 11.868 3.684 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.224 13.590 3.440 1.00 0.62 H new ATOM 0 HG LEU A 144 8.347 12.890 1.053 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.225 10.833 0.287 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.367 10.508 1.613 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.618 10.556 1.937 1.00 0.58 H new ATOM 0 HD21 LEU A 144 6.058 12.996 0.146 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.404 12.803 1.790 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.343 14.255 1.370 1.00 0.81 H new ATOM 1921 N GLY A 145 9.944 11.666 5.404 1.00 0.91 N ATOM 1922 CA GLY A 145 10.178 11.444 6.819 1.00 1.11 C ATOM 1923 C GLY A 145 8.901 11.149 7.580 1.00 1.11 C ATOM 1924 O GLY A 145 8.149 12.063 7.921 1.00 1.24 O ATOM 0 H GLY A 145 10.161 10.871 4.803 1.00 0.91 H new ATOM 0 HA2 GLY A 145 10.871 10.612 6.943 1.00 1.11 H new ATOM 0 HA3 GLY A 145 10.657 12.325 7.247 1.00 1.11 H new ATOM 1928 N PHE A 146 8.654 9.870 7.846 1.00 1.15 N ATOM 1929 CA PHE A 146 7.458 9.459 8.572 1.00 1.25 C ATOM 1930 C PHE A 146 7.811 8.997 9.983 1.00 1.47 C ATOM 1931 O PHE A 146 7.201 9.441 10.953 1.00 99.99 O ATOM 1932 CB PHE A 146 6.738 8.337 7.820 1.00 1.63 C ATOM 1933 CG PHE A 146 6.264 8.723 6.443 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.185 10.055 6.059 1.00 1.15 C ATOM 1935 CD2 PHE A 146 5.892 7.747 5.532 1.00 1.74 C ATOM 1936 CE1 PHE A 146 5.746 10.404 4.797 1.00 1.15 C ATOM 1937 CE2 PHE A 146 5.453 8.091 4.267 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.379 9.419 3.899 1.00 0.93 C ATOM 0 H PHE A 146 9.265 9.102 7.570 1.00 1.15 H new ATOM 0 HA PHE A 146 6.794 10.320 8.646 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.409 7.483 7.735 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.881 8.011 8.409 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.471 10.828 6.757 1.00 1.15 H new ATOM 0 HD2 PHE A 146 5.946 6.706 5.814 1.00 1.74 H new ATOM 0 HE1 PHE A 146 5.689 11.444 4.512 1.00 1.15 H new ATOM 0 HE2 PHE A 146 5.168 7.320 3.566 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.035 9.688 2.911 1.00 0.93 H new