USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=26 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 124 HIS : no HE2:sc= -5.25! C(o=-12!,f=-15!) USER MOD Set 1.2: A 133 MET CE :methyl -126:sc= -7.1! (180deg=-10!) USER MOD Set 2.1: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 116 SER OG : rot -123:sc= -2.73! USER MOD Set 2.3: A 122 TYR OH : rot 180:sc= -1.6 USER MOD Set 3.1: A 111 MET CE :methyl -165:sc= -10.4! (180deg=-10.3!) USER MOD Set 3.2: A 114 HIS : no HD1:sc= -4 K(o=-14,f=-18!) USER MOD Set 4.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 118 HIS : no HD1:sc= 0 X(o=0,f=0.0048) USER MOD Set 5.1: A 51 SER OG : rot -86:sc= -1.17 USER MOD Set 5.2: A 52 HIS :FLIP no HD1:sc= -4.34! C(o=-6.3!,f=-5.5!) USER MOD Set 6.1: A 23 GLN : amide:sc= -0.0351 K(o=-2.5,f=-4) USER MOD Set 6.2: A 105 MET CE :methyl -109:sc= -2.44 (180deg=-4.85!) USER MOD Single : A 3 SER OG : rot -29:sc= 0.344 USER MOD Single : A 9 GLN : amide:sc= 0.33 K(o=0.33,f=-0.48) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.752 F(o=-1.5,f=-0.75) USER MOD Single : A 20 THR OG1 : rot 180:sc=0.000908 USER MOD Single : A 26 GLN : amide:sc= -0.0478 K(o=-0.048,f=-0.8) USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.319 USER MOD Single : A 33 GLN : amide:sc= -8.56! C(o=-8.6!,f=-10!) USER MOD Single : A 37 ASN : amide:sc= 0.714 K(o=0.71,f=-1.6!) USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -4.38! K(o=-4.4!,f=-5.8) USER MOD Single : A 57 THR OG1 : rot 53:sc= 0.93 USER MOD Single : A 58 TYR OH : rot -174:sc= 0.62 USER MOD Single : A 61 LYS NZ :NH3+ -114:sc=-0.00731 (180deg=-0.177) USER MOD Single : A 66 ASN : amide:sc= 0.0718 K(o=0.072,f=-6!) USER MOD Single : A 69 SER OG : rot -14:sc= -1.76! USER MOD Single : A 74 CYS SG : rot 168:sc= -1.1 USER MOD Single : A 89 CYS SG : rot 0:sc= -4.16! USER MOD Single : A 91 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HE2:sc= -6.2! C(o=-6.2!,f=-9.6!) USER MOD Single : A 110 HIS : no HD1:sc= -0.0976 K(o=-0.098,f=-1) USER MOD Single : A 135 SER OG : rot 99:sc= 1.19 USER MOD Single : A 138 THR OG1 : rot 89:sc= 0.411 USER MOD Single : A 139 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.038) USER MOD Single : A 141 MET CE :methyl -164:sc= -9.92! (180deg=-10.5!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 5.966 5.287 -14.900 1.00 1.94 N ATOM 2 CA SER A 3 5.037 6.138 -14.111 1.00 1.63 C ATOM 3 C SER A 3 4.644 5.461 -12.803 1.00 1.31 C ATOM 4 O SER A 3 4.997 4.308 -12.559 1.00 1.66 O ATOM 5 CB SER A 3 3.791 6.412 -14.957 1.00 1.81 C ATOM 6 OG SER A 3 3.327 5.227 -15.581 1.00 2.13 O ATOM 0 HA SER A 3 5.536 7.074 -13.859 1.00 1.63 H new ATOM 0 HB2 SER A 3 3.004 6.827 -14.327 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.020 7.160 -15.716 1.00 1.81 H new ATOM 0 HG SER A 3 4.083 4.625 -15.743 1.00 2.13 H new ATOM 12 N VAL A 4 3.912 6.187 -11.964 1.00 1.30 N ATOM 13 CA VAL A 4 3.472 5.656 -10.679 1.00 1.06 C ATOM 14 C VAL A 4 1.999 5.262 -10.723 1.00 0.93 C ATOM 15 O VAL A 4 1.121 6.066 -10.409 1.00 1.44 O ATOM 16 CB VAL A 4 3.687 6.676 -9.544 1.00 1.68 C ATOM 17 CG1 VAL A 4 5.168 6.962 -9.362 1.00 1.82 C ATOM 18 CG2 VAL A 4 2.920 7.961 -9.823 1.00 2.29 C ATOM 0 H VAL A 4 3.611 7.144 -12.151 1.00 1.30 H new ATOM 0 HA VAL A 4 4.076 4.771 -10.479 1.00 1.06 H new ATOM 0 HB VAL A 4 3.303 6.247 -8.618 1.00 1.68 H new ATOM 0 HG11 VAL A 4 5.303 7.684 -8.557 1.00 1.82 H new ATOM 0 HG12 VAL A 4 5.689 6.038 -9.112 1.00 1.82 H new ATOM 0 HG13 VAL A 4 5.576 7.369 -10.287 1.00 1.82 H new ATOM 0 HG21 VAL A 4 3.085 8.667 -9.010 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.269 8.397 -10.759 1.00 2.29 H new ATOM 0 HG23 VAL A 4 1.855 7.740 -9.900 1.00 2.29 H new ATOM 22 N LEU A 5 1.733 4.022 -11.111 1.00 0.94 N ATOM 23 CA LEU A 5 0.364 3.532 -11.189 1.00 1.34 C ATOM 24 C LEU A 5 -0.126 3.068 -9.822 1.00 1.09 C ATOM 25 O LEU A 5 -0.085 1.878 -9.506 1.00 1.34 O ATOM 26 CB LEU A 5 0.258 2.390 -12.204 1.00 2.05 C ATOM 27 CG LEU A 5 -0.969 2.454 -13.121 1.00 2.97 C ATOM 28 CD1 LEU A 5 -0.554 2.757 -14.553 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.752 1.151 -13.058 1.00 3.33 C ATOM 0 H LEU A 5 2.444 3.340 -11.376 1.00 0.94 H new ATOM 0 HA LEU A 5 -0.270 4.355 -11.521 1.00 1.34 H new ATOM 0 HB2 LEU A 5 1.156 2.388 -12.822 1.00 2.05 H new ATOM 0 HB3 LEU A 5 0.241 1.443 -11.664 1.00 2.05 H new ATOM 0 HG LEU A 5 -1.614 3.261 -12.773 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -1.439 2.798 -15.187 1.00 3.92 H new ATOM 0 HD12 LEU A 5 -0.038 3.717 -14.587 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.113 1.974 -14.912 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.619 1.215 -13.715 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.114 0.327 -13.379 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.085 0.975 -12.035 1.00 3.33 H new ATOM 35 N VAL A 6 -0.594 4.015 -9.017 1.00 0.88 N ATOM 36 CA VAL A 6 -1.100 3.701 -7.689 1.00 0.75 C ATOM 37 C VAL A 6 -2.624 3.762 -7.672 1.00 0.75 C ATOM 38 O VAL A 6 -3.217 4.720 -8.168 1.00 1.03 O ATOM 39 CB VAL A 6 -0.534 4.659 -6.618 1.00 0.94 C ATOM 40 CG1 VAL A 6 0.978 4.759 -6.742 1.00 1.26 C ATOM 41 CG2 VAL A 6 -1.174 6.035 -6.723 1.00 1.02 C ATOM 0 H VAL A 6 -0.633 5.004 -9.261 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.771 2.690 -7.449 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.775 4.252 -5.636 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.361 5.438 -5.980 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.420 3.772 -6.605 1.00 1.26 H new ATOM 0 HG13 VAL A 6 1.238 5.139 -7.730 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.757 6.689 -5.957 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.973 6.455 -7.708 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -2.251 5.947 -6.579 1.00 1.02 H new ATOM 45 N ASP A 7 -3.259 2.737 -7.114 1.00 0.72 N ATOM 46 CA ASP A 7 -4.717 2.698 -7.064 1.00 0.83 C ATOM 47 C ASP A 7 -5.232 2.417 -5.655 1.00 0.75 C ATOM 48 O ASP A 7 -5.407 1.262 -5.268 1.00 0.99 O ATOM 49 CB ASP A 7 -5.252 1.640 -8.031 1.00 1.02 C ATOM 50 CG ASP A 7 -6.525 2.082 -8.724 1.00 1.78 C ATOM 51 OD1 ASP A 7 -6.446 2.961 -9.609 1.00 2.52 O ATOM 52 OD2 ASP A 7 -7.603 1.549 -8.384 1.00 2.33 O ATOM 0 H ASP A 7 -2.795 1.931 -6.695 1.00 0.72 H new ATOM 0 HA ASP A 7 -5.079 3.682 -7.362 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.492 1.419 -8.780 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.441 0.715 -7.486 1.00 1.02 H new ATOM 57 N LEU A 8 -5.494 3.481 -4.902 1.00 0.63 N ATOM 58 CA LEU A 8 -6.012 3.345 -3.546 1.00 0.74 C ATOM 59 C LEU A 8 -7.523 3.528 -3.540 1.00 0.59 C ATOM 60 O LEU A 8 -8.048 4.425 -4.200 1.00 0.79 O ATOM 61 CB LEU A 8 -5.353 4.358 -2.607 1.00 1.20 C ATOM 62 CG LEU A 8 -5.661 5.826 -2.909 1.00 0.83 C ATOM 63 CD1 LEU A 8 -7.024 6.217 -2.352 1.00 1.78 C ATOM 64 CD2 LEU A 8 -4.572 6.717 -2.334 1.00 1.52 C ATOM 0 H LEU A 8 -5.356 4.444 -5.207 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.775 2.343 -3.188 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.667 4.140 -1.586 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.273 4.215 -2.645 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.687 5.960 -3.990 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -7.223 7.265 -2.578 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -7.795 5.595 -2.807 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -7.031 6.071 -1.272 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -4.801 7.760 -2.555 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -4.520 6.577 -1.254 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -3.613 6.454 -2.780 1.00 1.52 H new ATOM 70 N GLN A 9 -8.221 2.674 -2.802 1.00 0.65 N ATOM 71 CA GLN A 9 -9.676 2.754 -2.732 1.00 0.80 C ATOM 72 C GLN A 9 -10.186 2.436 -1.331 1.00 0.79 C ATOM 73 O GLN A 9 -9.797 1.436 -0.723 1.00 0.81 O ATOM 74 CB GLN A 9 -10.308 1.798 -3.744 1.00 1.03 C ATOM 75 CG GLN A 9 -9.847 0.357 -3.593 1.00 1.27 C ATOM 76 CD GLN A 9 -9.295 -0.219 -4.883 1.00 1.82 C ATOM 77 OE1 GLN A 9 -9.956 -0.193 -5.921 1.00 2.23 O ATOM 78 NE2 GLN A 9 -8.076 -0.742 -4.822 1.00 2.59 N ATOM 0 H GLN A 9 -7.808 1.924 -2.248 1.00 0.65 H new ATOM 0 HA GLN A 9 -9.963 3.778 -2.973 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.392 1.836 -3.639 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -10.073 2.142 -4.751 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -9.081 0.304 -2.819 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.684 -0.254 -3.256 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.565 -0.742 -3.940 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -7.651 -1.144 -5.658 1.00 2.59 H new ATOM 85 N ILE A 10 -11.072 3.292 -0.830 1.00 0.83 N ATOM 86 CA ILE A 10 -11.654 3.106 0.492 1.00 0.86 C ATOM 87 C ILE A 10 -12.819 2.123 0.427 1.00 1.02 C ATOM 88 O ILE A 10 -13.481 1.998 -0.604 1.00 1.23 O ATOM 89 CB ILE A 10 -12.139 4.444 1.087 1.00 0.96 C ATOM 90 CG1 ILE A 10 -12.541 4.270 2.553 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.302 5.000 0.277 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.418 3.773 3.437 1.00 1.19 C ATOM 0 H ILE A 10 -11.402 4.122 -1.322 1.00 0.83 H new ATOM 0 HA ILE A 10 -10.875 2.703 1.140 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.315 5.156 1.040 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -12.899 5.225 2.938 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -13.374 3.570 2.611 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.630 5.944 0.712 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -12.982 5.166 -0.752 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.127 4.288 0.290 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -11.778 3.674 4.461 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.074 2.803 3.078 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -10.592 4.483 3.410 1.00 1.19 H new ATOM 96 N ALA A 11 -13.059 1.421 1.526 1.00 0.97 N ATOM 97 CA ALA A 11 -14.136 0.443 1.584 1.00 1.15 C ATOM 98 C ALA A 11 -15.216 0.865 2.574 1.00 1.15 C ATOM 99 O ALA A 11 -15.755 0.038 3.310 1.00 1.32 O ATOM 100 CB ALA A 11 -13.575 -0.920 1.955 1.00 1.30 C ATOM 0 H ALA A 11 -12.523 1.511 2.389 1.00 0.97 H new ATOM 0 HA ALA A 11 -14.598 0.383 0.599 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -14.385 -1.648 1.997 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -12.847 -1.230 1.205 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.090 -0.861 2.929 1.00 1.30 H new ATOM 106 N THR A 12 -15.528 2.156 2.584 1.00 1.10 N ATOM 107 CA THR A 12 -16.546 2.688 3.483 1.00 1.29 C ATOM 108 C THR A 12 -17.563 3.529 2.720 1.00 1.72 C ATOM 109 O THR A 12 -17.284 4.019 1.626 1.00 2.07 O ATOM 110 CB THR A 12 -15.894 3.529 4.581 1.00 1.15 C ATOM 111 OG1 THR A 12 -15.079 4.543 4.020 1.00 1.78 O ATOM 112 CG2 THR A 12 -15.034 2.716 5.523 1.00 1.29 C ATOM 0 H THR A 12 -15.091 2.853 1.981 1.00 1.10 H new ATOM 0 HA THR A 12 -17.068 1.846 3.938 1.00 1.29 H new ATOM 0 HB THR A 12 -16.721 3.958 5.147 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.672 5.071 4.739 1.00 1.78 H new ATOM 0 HG21 THR A 12 -14.601 3.372 6.278 1.00 1.29 H new ATOM 0 HG22 THR A 12 -15.646 1.956 6.010 1.00 1.29 H new ATOM 0 HG23 THR A 12 -14.235 2.233 4.961 1.00 1.29 H new ATOM 117 N GLU A 13 -18.745 3.694 3.306 1.00 2.10 N ATOM 118 CA GLU A 13 -19.803 4.479 2.685 1.00 2.62 C ATOM 119 C GLU A 13 -19.439 5.960 2.674 1.00 2.49 C ATOM 120 O GLU A 13 -19.682 6.665 1.694 1.00 2.85 O ATOM 121 CB GLU A 13 -21.125 4.269 3.426 1.00 3.24 C ATOM 122 CG GLU A 13 -22.137 3.445 2.644 1.00 3.89 C ATOM 123 CD GLU A 13 -22.428 2.105 3.294 1.00 4.72 C ATOM 124 OE1 GLU A 13 -22.443 2.041 4.540 1.00 5.17 O ATOM 125 OE2 GLU A 13 -22.641 1.121 2.555 1.00 5.27 O ATOM 0 H GLU A 13 -18.993 3.294 4.211 1.00 2.10 H new ATOM 0 HA GLU A 13 -19.918 4.143 1.655 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -20.924 3.776 4.377 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -21.561 5.241 3.657 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -23.065 4.009 2.552 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -21.763 3.281 1.634 1.00 3.89 H new ATOM 132 N ASN A 14 -18.850 6.423 3.772 1.00 2.26 N ATOM 133 CA ASN A 14 -18.448 7.819 3.892 1.00 2.51 C ATOM 134 C ASN A 14 -17.129 7.937 4.641 1.00 1.99 C ATOM 135 O ASN A 14 -16.952 7.361 5.713 1.00 1.78 O ATOM 136 CB ASN A 14 -19.530 8.630 4.606 1.00 3.10 C ATOM 137 CG ASN A 14 -20.917 8.352 4.060 1.00 3.79 C ATOM 138 OD1 ASN A 14 -21.605 7.384 4.654 1.00 4.30 O flip ATOM 139 ND2 ASN A 14 -21.366 9.000 3.113 1.00 4.18 N flip ATOM 0 H ASN A 14 -18.641 5.852 4.591 1.00 2.26 H new ATOM 0 HA ASN A 14 -18.315 8.220 2.887 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -19.509 8.400 5.671 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -19.309 9.693 4.505 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -20.803 9.736 2.686 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -22.301 8.801 2.756 1.00 4.18 H new ATOM 144 N ILE A 15 -16.205 8.686 4.057 1.00 2.45 N ATOM 145 CA ILE A 15 -14.892 8.885 4.648 1.00 2.24 C ATOM 146 C ILE A 15 -14.981 9.609 5.990 1.00 1.60 C ATOM 147 O ILE A 15 -15.421 10.757 6.063 1.00 1.92 O ATOM 148 CB ILE A 15 -13.973 9.682 3.691 1.00 3.00 C ATOM 149 CG1 ILE A 15 -13.251 8.732 2.734 1.00 2.89 C ATOM 150 CG2 ILE A 15 -12.964 10.524 4.462 1.00 3.77 C ATOM 151 CD1 ILE A 15 -13.776 8.788 1.317 1.00 3.61 C ATOM 0 H ILE A 15 -16.343 9.168 3.169 1.00 2.45 H new ATOM 0 HA ILE A 15 -14.465 7.896 4.818 1.00 2.24 H new ATOM 0 HB ILE A 15 -14.601 10.359 3.112 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -12.188 8.973 2.729 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -13.345 7.712 3.108 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -12.334 11.071 3.760 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -13.493 11.231 5.102 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -12.342 9.874 5.077 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -13.218 8.089 0.694 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -14.832 8.518 1.309 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -13.657 9.798 0.925 1.00 3.61 H new ATOM 155 N GLU A 16 -14.523 8.938 7.040 1.00 1.45 N ATOM 156 CA GLU A 16 -14.508 9.519 8.375 1.00 1.67 C ATOM 157 C GLU A 16 -13.119 10.078 8.658 1.00 1.94 C ATOM 158 O GLU A 16 -12.963 11.114 9.303 1.00 2.67 O ATOM 159 CB GLU A 16 -14.884 8.468 9.425 1.00 2.11 C ATOM 160 CG GLU A 16 -16.172 8.784 10.168 1.00 3.11 C ATOM 161 CD GLU A 16 -17.391 8.163 9.513 1.00 3.84 C ATOM 162 OE1 GLU A 16 -17.496 8.231 8.272 1.00 4.53 O ATOM 163 OE2 GLU A 16 -18.238 7.608 10.244 1.00 4.13 O ATOM 0 H GLU A 16 -14.156 7.988 6.991 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.242 10.323 8.426 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -14.984 7.499 8.937 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -14.071 8.379 10.146 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -16.093 8.425 11.194 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -16.302 9.865 10.218 1.00 3.11 H new ATOM 170 N GLY A 17 -12.115 9.374 8.144 1.00 1.95 N ATOM 171 CA GLY A 17 -10.733 9.784 8.310 1.00 2.86 C ATOM 172 C GLY A 17 -9.840 9.160 7.255 1.00 2.74 C ATOM 173 O GLY A 17 -8.882 8.459 7.581 1.00 3.16 O ATOM 0 H GLY A 17 -12.238 8.515 7.608 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -10.665 10.870 8.251 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -10.383 9.496 9.301 1.00 2.86 H new ATOM 177 N LEU A 18 -10.165 9.407 5.987 1.00 2.64 N ATOM 178 CA LEU A 18 -9.402 8.856 4.872 1.00 2.63 C ATOM 179 C LEU A 18 -9.287 9.866 3.732 1.00 2.01 C ATOM 180 O LEU A 18 -10.211 10.019 2.935 1.00 2.22 O ATOM 181 CB LEU A 18 -10.064 7.576 4.354 1.00 3.46 C ATOM 182 CG LEU A 18 -9.920 6.348 5.256 1.00 3.97 C ATOM 183 CD1 LEU A 18 -8.469 6.145 5.671 1.00 4.46 C ATOM 184 CD2 LEU A 18 -10.821 6.479 6.476 1.00 4.91 C ATOM 0 H LEU A 18 -10.955 9.988 5.707 1.00 2.64 H new ATOM 0 HA LEU A 18 -8.401 8.625 5.237 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -11.126 7.772 4.204 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -9.642 7.339 3.377 1.00 3.46 H new ATOM 0 HG LEU A 18 -10.231 5.469 4.692 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -8.393 5.266 6.311 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -7.853 6.001 4.783 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -8.120 7.022 6.216 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -10.708 5.598 7.108 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -10.542 7.369 7.040 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -11.859 6.564 6.154 1.00 4.91 H new ATOM 190 N PRO A 19 -8.147 10.567 3.644 1.00 1.58 N ATOM 191 CA PRO A 19 -7.904 11.566 2.596 1.00 1.46 C ATOM 192 C PRO A 19 -8.257 11.062 1.197 1.00 1.48 C ATOM 193 O PRO A 19 -8.734 9.940 1.029 1.00 2.32 O ATOM 194 CB PRO A 19 -6.402 11.801 2.701 1.00 1.63 C ATOM 195 CG PRO A 19 -6.093 11.567 4.135 1.00 1.84 C ATOM 196 CD PRO A 19 -6.996 10.445 4.562 1.00 1.84 C ATOM 0 HA PRO A 19 -8.517 12.457 2.734 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -5.847 11.118 2.058 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -6.136 12.813 2.397 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -5.045 11.301 4.272 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -6.275 12.464 4.727 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -6.506 9.476 4.466 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -7.300 10.547 5.604 1.00 1.84 H new ATOM 204 N THR A 20 -8.010 11.903 0.195 1.00 1.19 N ATOM 205 CA THR A 20 -8.295 11.550 -1.191 1.00 1.25 C ATOM 206 C THR A 20 -7.031 11.083 -1.909 1.00 1.21 C ATOM 207 O THR A 20 -5.915 11.371 -1.475 1.00 1.19 O ATOM 208 CB THR A 20 -8.899 12.747 -1.929 1.00 1.39 C ATOM 209 OG1 THR A 20 -8.107 13.905 -1.737 1.00 1.78 O ATOM 210 CG2 THR A 20 -10.308 13.074 -1.483 1.00 2.03 C ATOM 0 H THR A 20 -7.613 12.834 0.319 1.00 1.19 H new ATOM 0 HA THR A 20 -9.013 10.730 -1.189 1.00 1.25 H new ATOM 0 HB THR A 20 -8.926 12.457 -2.979 1.00 1.39 H new ATOM 0 HG1 THR A 20 -8.508 14.659 -2.218 1.00 1.78 H new ATOM 0 HG21 THR A 20 -10.678 13.932 -2.045 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.955 12.216 -1.664 1.00 2.03 H new ATOM 0 HG23 THR A 20 -10.307 13.310 -0.419 1.00 2.03 H new ATOM 215 N GLU A 21 -7.217 10.356 -3.007 1.00 1.30 N ATOM 216 CA GLU A 21 -6.096 9.839 -3.788 1.00 1.28 C ATOM 217 C GLU A 21 -5.155 10.958 -4.223 1.00 1.19 C ATOM 218 O GLU A 21 -3.940 10.855 -4.051 1.00 1.10 O ATOM 219 CB GLU A 21 -6.609 9.084 -5.014 1.00 1.44 C ATOM 220 CG GLU A 21 -7.679 9.834 -5.791 1.00 1.56 C ATOM 221 CD GLU A 21 -8.853 8.951 -6.167 1.00 1.94 C ATOM 222 OE1 GLU A 21 -9.779 8.809 -5.340 1.00 2.54 O ATOM 223 OE2 GLU A 21 -8.847 8.401 -7.288 1.00 2.04 O ATOM 0 H GLU A 21 -8.135 10.111 -3.377 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.536 9.155 -3.151 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.770 8.875 -5.678 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -7.011 8.122 -4.695 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.036 10.672 -5.193 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.239 10.253 -6.696 1.00 1.56 H new ATOM 230 N GLU A 22 -5.713 12.025 -4.787 1.00 1.24 N ATOM 231 CA GLU A 22 -4.908 13.154 -5.244 1.00 1.18 C ATOM 232 C GLU A 22 -3.891 13.564 -4.179 1.00 1.05 C ATOM 233 O GLU A 22 -2.688 13.624 -4.442 1.00 0.99 O ATOM 234 CB GLU A 22 -5.808 14.341 -5.593 1.00 1.26 C ATOM 235 CG GLU A 22 -5.881 14.631 -7.084 1.00 1.93 C ATOM 236 CD GLU A 22 -7.292 14.928 -7.553 1.00 2.47 C ATOM 237 OE1 GLU A 22 -8.195 14.113 -7.273 1.00 2.76 O ATOM 238 OE2 GLU A 22 -7.494 15.976 -8.201 1.00 3.23 O ATOM 0 H GLU A 22 -6.716 12.132 -4.938 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.366 12.844 -6.137 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.813 14.146 -5.219 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.442 15.228 -5.076 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.239 15.480 -7.317 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.491 13.776 -7.636 1.00 1.93 H new ATOM 245 N GLN A 23 -4.383 13.834 -2.975 1.00 1.02 N ATOM 246 CA GLN A 23 -3.522 14.229 -1.869 1.00 0.93 C ATOM 247 C GLN A 23 -2.529 13.121 -1.533 1.00 0.82 C ATOM 248 O GLN A 23 -1.328 13.268 -1.747 1.00 0.77 O ATOM 249 CB GLN A 23 -4.361 14.573 -0.637 1.00 0.99 C ATOM 250 CG GLN A 23 -4.616 16.063 -0.473 1.00 0.97 C ATOM 251 CD GLN A 23 -4.733 16.477 0.981 1.00 1.14 C ATOM 252 OE1 GLN A 23 -4.936 15.642 1.862 1.00 2.08 O ATOM 253 NE2 GLN A 23 -4.604 17.773 1.239 1.00 1.09 N ATOM 0 H GLN A 23 -5.375 13.786 -2.741 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.963 15.114 -2.174 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.317 14.054 -0.702 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -3.855 14.199 0.253 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -3.805 16.621 -0.942 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.533 16.331 -0.998 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -4.436 18.430 0.477 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -4.672 18.111 2.199 1.00 1.09 H new ATOM 260 N ILE A 24 -3.041 12.009 -1.008 1.00 0.83 N ATOM 261 CA ILE A 24 -2.198 10.872 -0.641 1.00 0.74 C ATOM 262 C ILE A 24 -1.213 10.528 -1.753 1.00 0.69 C ATOM 263 O ILE A 24 0.002 10.584 -1.562 1.00 0.67 O ATOM 264 CB ILE A 24 -3.046 9.621 -0.327 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.062 9.923 0.774 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.152 8.458 0.083 1.00 0.85 C ATOM 267 CD1 ILE A 24 -5.366 9.176 0.609 1.00 1.43 C ATOM 0 H ILE A 24 -4.035 11.871 -0.827 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.647 11.169 0.251 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.588 9.340 -1.230 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -3.626 9.669 1.740 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.265 10.994 0.787 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.767 7.585 0.300 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.464 8.224 -0.730 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.584 8.732 0.972 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -6.041 9.437 1.424 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -5.824 9.449 -0.342 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -5.175 8.103 0.625 1.00 1.43 H new ATOM 271 N VAL A 25 -1.749 10.168 -2.913 1.00 0.77 N ATOM 272 CA VAL A 25 -0.929 9.806 -4.061 1.00 0.77 C ATOM 273 C VAL A 25 0.118 10.877 -4.359 1.00 0.74 C ATOM 274 O VAL A 25 1.318 10.600 -4.350 1.00 0.73 O ATOM 275 CB VAL A 25 -1.794 9.581 -5.317 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.938 9.134 -6.491 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.889 8.563 -5.035 1.00 1.45 C ATOM 0 H VAL A 25 -2.754 10.119 -3.083 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.422 8.876 -3.805 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.263 10.529 -5.581 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.571 8.982 -7.365 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.194 9.899 -6.711 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.435 8.200 -6.240 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.490 8.417 -5.933 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.438 7.615 -4.742 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.525 8.927 -4.228 1.00 1.45 H new ATOM 281 N GLN A 26 -0.341 12.097 -4.627 1.00 0.76 N ATOM 282 CA GLN A 26 0.564 13.199 -4.932 1.00 0.77 C ATOM 283 C GLN A 26 1.583 13.408 -3.813 1.00 0.72 C ATOM 284 O GLN A 26 2.789 13.381 -4.044 1.00 0.71 O ATOM 285 CB GLN A 26 -0.226 14.489 -5.164 1.00 0.85 C ATOM 286 CG GLN A 26 0.609 15.615 -5.751 1.00 0.94 C ATOM 287 CD GLN A 26 -0.058 16.969 -5.611 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.685 17.262 -4.594 1.00 1.72 O ATOM 289 NE2 GLN A 26 0.077 17.804 -6.636 1.00 2.19 N ATOM 0 H GLN A 26 -1.330 12.346 -4.639 1.00 0.76 H new ATOM 0 HA GLN A 26 1.105 12.941 -5.842 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -1.060 14.279 -5.833 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.653 14.820 -4.217 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.580 15.639 -5.255 1.00 0.94 H new ATOM 0 HG3 GLN A 26 0.795 15.413 -6.806 1.00 0.94 H new ATOM 0 HE21 GLN A 26 0.606 17.519 -7.460 1.00 2.19 H new ATOM 0 HE22 GLN A 26 -0.348 18.730 -6.599 1.00 2.19 H new ATOM 296 N TRP A 27 1.091 13.625 -2.600 1.00 0.74 N ATOM 297 CA TRP A 27 1.967 13.849 -1.454 1.00 0.76 C ATOM 298 C TRP A 27 3.003 12.732 -1.316 1.00 0.69 C ATOM 299 O TRP A 27 4.208 12.980 -1.381 1.00 0.67 O ATOM 300 CB TRP A 27 1.129 13.972 -0.172 1.00 0.92 C ATOM 301 CG TRP A 27 1.794 13.420 1.055 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.685 12.149 1.543 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.666 14.121 1.949 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.438 12.016 2.685 1.00 1.02 N ATOM 305 CE2 TRP A 27 3.049 13.214 2.955 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.162 15.428 1.996 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.904 13.572 3.995 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.009 15.782 3.029 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.373 14.858 4.016 1.00 0.87 C ATOM 0 H TRP A 27 0.095 13.651 -2.383 1.00 0.74 H new ATOM 0 HA TRP A 27 2.510 14.780 -1.616 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.896 15.023 -0.003 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.181 13.456 -0.321 1.00 0.92 H new ATOM 0 HD1 TRP A 27 1.094 11.363 1.097 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.528 11.166 3.241 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.888 16.148 1.239 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.187 12.861 4.757 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.397 16.789 3.076 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.037 15.166 4.810 1.00 0.87 H new ATOM 320 N ALA A 28 2.531 11.508 -1.110 1.00 0.70 N ATOM 321 CA ALA A 28 3.428 10.371 -0.940 1.00 0.72 C ATOM 322 C ALA A 28 4.080 9.949 -2.253 1.00 0.68 C ATOM 323 O ALA A 28 5.252 10.237 -2.497 1.00 0.73 O ATOM 324 CB ALA A 28 2.675 9.201 -0.322 1.00 0.78 C ATOM 0 H ALA A 28 1.539 11.278 -1.057 1.00 0.70 H new ATOM 0 HA ALA A 28 4.229 10.682 -0.269 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.353 8.356 -0.199 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.281 9.495 0.651 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.851 8.913 -0.975 1.00 0.78 H new ATOM 330 N THR A 29 3.323 9.248 -3.087 1.00 0.63 N ATOM 331 CA THR A 29 3.840 8.766 -4.364 1.00 0.67 C ATOM 332 C THR A 29 4.371 9.903 -5.235 1.00 0.64 C ATOM 333 O THR A 29 5.387 9.748 -5.914 1.00 0.72 O ATOM 334 CB THR A 29 2.769 7.980 -5.117 1.00 0.69 C ATOM 335 OG1 THR A 29 1.605 7.818 -4.324 1.00 1.02 O ATOM 336 CG2 THR A 29 3.240 6.603 -5.529 1.00 0.74 C ATOM 0 H THR A 29 2.351 9.000 -2.904 1.00 0.63 H new ATOM 0 HA THR A 29 4.677 8.104 -4.141 1.00 0.67 H new ATOM 0 HB THR A 29 2.549 8.564 -6.011 1.00 0.69 H new ATOM 0 HG1 THR A 29 0.998 7.183 -4.759 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.439 6.088 -6.060 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.108 6.696 -6.182 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.513 6.031 -4.642 1.00 0.74 H new ATOM 341 N GLY A 30 3.689 11.041 -5.223 1.00 0.60 N ATOM 342 CA GLY A 30 4.133 12.164 -6.029 1.00 0.64 C ATOM 343 C GLY A 30 5.485 12.685 -5.581 1.00 0.66 C ATOM 344 O GLY A 30 6.259 13.196 -6.390 1.00 0.72 O ATOM 0 H GLY A 30 2.844 11.207 -4.676 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.190 11.860 -7.074 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.397 12.966 -5.970 1.00 0.64 H new ATOM 348 N ALA A 31 5.770 12.555 -4.287 1.00 0.65 N ATOM 349 CA ALA A 31 7.039 13.016 -3.736 1.00 0.73 C ATOM 350 C ALA A 31 8.182 12.066 -4.090 1.00 0.75 C ATOM 351 O ALA A 31 9.349 12.457 -4.077 1.00 0.83 O ATOM 352 CB ALA A 31 6.929 13.173 -2.227 1.00 0.82 C ATOM 0 H ALA A 31 5.140 12.135 -3.603 1.00 0.65 H new ATOM 0 HA ALA A 31 7.265 13.985 -4.180 1.00 0.73 H new ATOM 0 HB1 ALA A 31 7.882 13.518 -1.827 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.153 13.901 -1.993 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.673 12.213 -1.779 1.00 0.82 H new ATOM 358 N VAL A 32 7.847 10.814 -4.399 1.00 0.76 N ATOM 359 CA VAL A 32 8.859 9.819 -4.747 1.00 0.87 C ATOM 360 C VAL A 32 9.119 9.768 -6.253 1.00 0.91 C ATOM 361 O VAL A 32 10.080 9.142 -6.698 1.00 1.03 O ATOM 362 CB VAL A 32 8.467 8.412 -4.251 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.072 8.050 -4.721 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.480 7.372 -4.713 1.00 1.23 C ATOM 0 H VAL A 32 6.888 10.466 -4.415 1.00 0.76 H new ATOM 0 HA VAL A 32 9.775 10.131 -4.246 1.00 0.87 H new ATOM 0 HB VAL A 32 8.468 8.423 -3.161 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.814 7.054 -4.361 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.357 8.774 -4.330 1.00 1.07 H new ATOM 0 HG13 VAL A 32 7.041 8.061 -5.810 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.182 6.388 -4.351 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.519 7.361 -5.802 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.464 7.622 -4.317 1.00 1.23 H new ATOM 368 N GLN A 33 8.266 10.421 -7.037 1.00 0.90 N ATOM 369 CA GLN A 33 8.429 10.426 -8.486 1.00 1.04 C ATOM 370 C GLN A 33 8.580 11.844 -9.041 1.00 1.07 C ATOM 371 O GLN A 33 7.978 12.184 -10.059 1.00 1.22 O ATOM 372 CB GLN A 33 7.249 9.723 -9.156 1.00 1.22 C ATOM 373 CG GLN A 33 7.636 8.965 -10.416 1.00 1.37 C ATOM 374 CD GLN A 33 8.004 7.516 -10.146 1.00 1.19 C ATOM 375 OE1 GLN A 33 7.761 6.640 -10.975 1.00 1.67 O ATOM 376 NE2 GLN A 33 8.596 7.252 -8.984 1.00 1.88 N ATOM 0 H GLN A 33 7.462 10.949 -6.697 1.00 0.90 H new ATOM 0 HA GLN A 33 9.348 9.884 -8.711 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.799 9.029 -8.447 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.488 10.463 -9.405 1.00 1.22 H new ATOM 0 HG2 GLN A 33 6.807 8.998 -11.123 1.00 1.37 H new ATOM 0 HG3 GLN A 33 8.480 9.466 -10.891 1.00 1.37 H new ATOM 0 HE21 GLN A 33 8.781 8.006 -8.323 1.00 1.88 H new ATOM 0 HE22 GLN A 33 8.865 6.295 -8.755 1.00 1.88 H new ATOM 383 N PRO A 34 9.394 12.694 -8.387 1.00 1.04 N ATOM 384 CA PRO A 34 9.616 14.069 -8.843 1.00 1.23 C ATOM 385 C PRO A 34 10.394 14.120 -10.155 1.00 1.50 C ATOM 386 O PRO A 34 10.344 15.114 -10.879 1.00 1.84 O ATOM 387 CB PRO A 34 10.433 14.696 -7.710 1.00 1.29 C ATOM 388 CG PRO A 34 11.116 13.547 -7.055 1.00 1.15 C ATOM 389 CD PRO A 34 10.172 12.384 -7.172 1.00 0.96 C ATOM 0 HA PRO A 34 8.679 14.589 -9.044 1.00 1.23 H new ATOM 0 HB2 PRO A 34 11.153 15.418 -8.094 1.00 1.29 H new ATOM 0 HB3 PRO A 34 9.792 15.228 -7.007 1.00 1.29 H new ATOM 0 HG2 PRO A 34 12.066 13.329 -7.542 1.00 1.15 H new ATOM 0 HG3 PRO A 34 11.336 13.768 -6.010 1.00 1.15 H new ATOM 0 HD2 PRO A 34 10.708 11.440 -7.268 1.00 0.96 H new ATOM 0 HD3 PRO A 34 9.530 12.298 -6.295 1.00 0.96 H new ATOM 397 N GLU A 35 11.111 13.040 -10.455 1.00 1.43 N ATOM 398 CA GLU A 35 11.899 12.959 -11.681 1.00 1.69 C ATOM 399 C GLU A 35 11.184 12.117 -12.735 1.00 1.95 C ATOM 400 O GLU A 35 10.918 12.585 -13.841 1.00 2.55 O ATOM 401 CB GLU A 35 13.277 12.365 -11.388 1.00 1.58 C ATOM 402 CG GLU A 35 14.170 13.275 -10.560 1.00 2.20 C ATOM 403 CD GLU A 35 15.442 12.586 -10.106 1.00 2.95 C ATOM 404 OE1 GLU A 35 16.442 12.637 -10.852 1.00 3.53 O ATOM 405 OE2 GLU A 35 15.438 11.997 -9.005 1.00 3.47 O ATOM 0 H GLU A 35 11.162 12.209 -9.866 1.00 1.43 H new ATOM 0 HA GLU A 35 12.021 13.970 -12.071 1.00 1.69 H new ATOM 0 HB2 GLU A 35 13.151 11.418 -10.863 1.00 1.58 H new ATOM 0 HB3 GLU A 35 13.775 12.142 -12.332 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.428 14.157 -11.147 1.00 2.20 H new ATOM 0 HG3 GLU A 35 13.618 13.623 -9.687 1.00 2.20 H new ATOM 412 N GLY A 36 10.875 10.872 -12.381 1.00 1.77 N ATOM 413 CA GLY A 36 10.193 9.987 -13.309 1.00 2.19 C ATOM 414 C GLY A 36 10.721 8.566 -13.259 1.00 1.74 C ATOM 415 O GLY A 36 11.828 8.291 -13.721 1.00 1.77 O ATOM 0 H GLY A 36 11.084 10.462 -11.471 1.00 1.77 H new ATOM 0 HA2 GLY A 36 9.127 9.982 -13.083 1.00 2.19 H new ATOM 0 HA3 GLY A 36 10.302 10.375 -14.322 1.00 2.19 H new ATOM 419 N ASN A 37 9.922 7.660 -12.702 1.00 2.06 N ATOM 420 CA ASN A 37 10.309 6.256 -12.597 1.00 2.08 C ATOM 421 C ASN A 37 9.145 5.345 -12.975 1.00 1.73 C ATOM 422 O ASN A 37 8.067 5.818 -13.333 1.00 1.94 O ATOM 423 CB ASN A 37 10.789 5.937 -11.180 1.00 3.12 C ATOM 424 CG ASN A 37 12.271 6.206 -10.998 1.00 3.90 C ATOM 425 OD1 ASN A 37 12.742 7.322 -11.218 1.00 4.50 O ATOM 426 ND2 ASN A 37 13.013 5.182 -10.593 1.00 4.34 N ATOM 0 H ASN A 37 9.002 7.873 -12.316 1.00 2.06 H new ATOM 0 HA ASN A 37 11.128 6.077 -13.293 1.00 2.08 H new ATOM 0 HB2 ASN A 37 10.223 6.534 -10.465 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.582 4.891 -10.956 1.00 3.12 H new ATOM 0 HD21 ASN A 37 14.016 5.303 -10.452 1.00 4.34 H new ATOM 0 HD22 ASN A 37 12.580 4.274 -10.423 1.00 4.34 H new ATOM 431 N GLU A 38 9.369 4.035 -12.898 1.00 1.77 N ATOM 432 CA GLU A 38 8.335 3.063 -13.239 1.00 1.76 C ATOM 433 C GLU A 38 7.917 2.247 -12.019 1.00 1.90 C ATOM 434 O GLU A 38 8.697 1.452 -11.494 1.00 2.28 O ATOM 435 CB GLU A 38 8.833 2.128 -14.345 1.00 2.18 C ATOM 436 CG GLU A 38 10.253 1.632 -14.130 1.00 2.12 C ATOM 437 CD GLU A 38 11.260 2.352 -15.005 1.00 2.42 C ATOM 438 OE1 GLU A 38 11.679 3.468 -14.634 1.00 2.88 O ATOM 439 OE2 GLU A 38 11.631 1.798 -16.063 1.00 2.81 O ATOM 0 H GLU A 38 10.255 3.624 -12.603 1.00 1.77 H new ATOM 0 HA GLU A 38 7.464 3.613 -13.596 1.00 1.76 H new ATOM 0 HB2 GLU A 38 8.164 1.270 -14.412 1.00 2.18 H new ATOM 0 HB3 GLU A 38 8.780 2.649 -15.301 1.00 2.18 H new ATOM 0 HG2 GLU A 38 10.526 1.765 -13.083 1.00 2.12 H new ATOM 0 HG3 GLU A 38 10.296 0.563 -14.337 1.00 2.12 H new ATOM 446 N VAL A 39 6.677 2.446 -11.578 1.00 1.79 N ATOM 447 CA VAL A 39 6.145 1.729 -10.423 1.00 2.04 C ATOM 448 C VAL A 39 4.619 1.719 -10.443 1.00 1.58 C ATOM 449 O VAL A 39 3.993 2.609 -11.017 1.00 1.86 O ATOM 450 CB VAL A 39 6.623 2.354 -9.099 1.00 2.80 C ATOM 451 CG1 VAL A 39 8.125 2.192 -8.938 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.228 3.822 -9.029 1.00 3.20 C ATOM 0 H VAL A 39 6.021 3.100 -12.005 1.00 1.79 H new ATOM 0 HA VAL A 39 6.518 0.707 -10.487 1.00 2.04 H new ATOM 0 HB VAL A 39 6.137 1.829 -8.277 1.00 2.80 H new ATOM 0 HG11 VAL A 39 8.440 2.641 -7.996 1.00 3.56 H new ATOM 0 HG12 VAL A 39 8.379 1.132 -8.938 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.635 2.687 -9.764 1.00 3.56 H new ATOM 0 HG21 VAL A 39 6.574 4.247 -8.087 1.00 3.20 H new ATOM 0 HG22 VAL A 39 6.684 4.361 -9.859 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.143 3.910 -9.090 1.00 3.20 H new ATOM 456 N GLU A 40 4.024 0.707 -9.815 1.00 1.19 N ATOM 457 CA GLU A 40 2.570 0.590 -9.768 1.00 0.87 C ATOM 458 C GLU A 40 2.120 -0.255 -8.578 1.00 0.72 C ATOM 459 O GLU A 40 2.479 -1.429 -8.464 1.00 0.71 O ATOM 460 CB GLU A 40 2.049 -0.017 -11.070 1.00 0.85 C ATOM 461 CG GLU A 40 2.774 -1.286 -11.486 1.00 0.98 C ATOM 462 CD GLU A 40 1.892 -2.225 -12.284 1.00 1.62 C ATOM 463 OE1 GLU A 40 1.318 -1.780 -13.301 1.00 2.10 O ATOM 464 OE2 GLU A 40 1.774 -3.405 -11.893 1.00 2.29 O ATOM 0 H GLU A 40 4.524 -0.040 -9.334 1.00 1.19 H new ATOM 0 HA GLU A 40 2.155 1.591 -9.647 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.987 -0.236 -10.959 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.141 0.721 -11.867 1.00 0.85 H new ATOM 0 HG2 GLU A 40 3.649 -1.022 -12.080 1.00 0.98 H new ATOM 0 HG3 GLU A 40 3.136 -1.801 -10.597 1.00 0.98 H new ATOM 471 N MET A 41 1.333 0.350 -7.692 1.00 0.77 N ATOM 472 CA MET A 41 0.836 -0.345 -6.505 1.00 0.73 C ATOM 473 C MET A 41 -0.655 -0.087 -6.285 1.00 0.68 C ATOM 474 O MET A 41 -1.125 1.047 -6.379 1.00 0.72 O ATOM 475 CB MET A 41 1.612 0.089 -5.253 1.00 0.88 C ATOM 476 CG MET A 41 3.069 0.454 -5.508 1.00 1.06 C ATOM 477 SD MET A 41 3.392 2.219 -5.318 1.00 1.42 S ATOM 478 CE MET A 41 4.553 2.208 -3.951 1.00 1.11 C ATOM 0 H MET A 41 1.025 1.319 -7.772 1.00 0.77 H new ATOM 0 HA MET A 41 0.986 -1.411 -6.675 1.00 0.73 H new ATOM 0 HB2 MET A 41 1.108 0.947 -4.808 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.575 -0.717 -4.521 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.704 -0.103 -4.819 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.345 0.145 -6.516 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.847 3.231 -3.715 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.083 1.755 -3.078 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.436 1.631 -4.228 1.00 1.11 H new ATOM 488 N THR A 42 -1.393 -1.145 -5.969 1.00 0.81 N ATOM 489 CA THR A 42 -2.825 -1.028 -5.710 1.00 0.79 C ATOM 490 C THR A 42 -3.086 -1.093 -4.207 1.00 0.77 C ATOM 491 O THR A 42 -2.380 -1.789 -3.480 1.00 1.11 O ATOM 492 CB THR A 42 -3.598 -2.134 -6.434 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.782 -2.767 -7.405 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.839 -1.633 -7.139 1.00 1.61 C ATOM 0 H THR A 42 -1.025 -2.093 -5.886 1.00 0.81 H new ATOM 0 HA THR A 42 -3.172 -0.067 -6.090 1.00 0.79 H new ATOM 0 HB THR A 42 -3.897 -2.833 -5.653 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.333 -3.357 -7.961 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.339 -2.467 -7.631 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.514 -1.183 -6.411 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.559 -0.887 -7.883 1.00 1.61 H new ATOM 499 N VAL A 43 -4.087 -0.353 -3.742 1.00 0.65 N ATOM 500 CA VAL A 43 -4.408 -0.331 -2.318 1.00 0.64 C ATOM 501 C VAL A 43 -5.913 -0.353 -2.060 1.00 0.58 C ATOM 502 O VAL A 43 -6.680 0.369 -2.699 1.00 0.71 O ATOM 503 CB VAL A 43 -3.805 0.911 -1.631 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.974 0.826 -0.121 1.00 1.53 C ATOM 505 CG2 VAL A 43 -2.339 1.067 -2.004 1.00 1.51 C ATOM 0 H VAL A 43 -4.685 0.234 -4.323 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.971 -1.236 -1.897 1.00 0.64 H new ATOM 0 HB VAL A 43 -4.342 1.793 -1.981 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.542 1.712 0.344 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -5.035 0.769 0.124 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -3.467 -0.064 0.252 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.930 1.948 -1.510 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.786 0.183 -1.685 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -2.249 1.181 -3.084 1.00 1.51 H new ATOM 509 N ARG A 44 -6.319 -1.181 -1.100 1.00 0.55 N ATOM 510 CA ARG A 44 -7.724 -1.306 -0.724 1.00 0.54 C ATOM 511 C ARG A 44 -7.879 -1.167 0.789 1.00 0.57 C ATOM 512 O ARG A 44 -7.253 -1.902 1.553 1.00 0.69 O ATOM 513 CB ARG A 44 -8.280 -2.653 -1.186 1.00 0.61 C ATOM 514 CG ARG A 44 -9.738 -2.598 -1.609 1.00 1.19 C ATOM 515 CD ARG A 44 -10.110 -3.782 -2.486 1.00 1.98 C ATOM 516 NE ARG A 44 -10.374 -3.380 -3.866 1.00 2.48 N ATOM 517 CZ ARG A 44 -10.933 -4.176 -4.775 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.286 -5.414 -4.456 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.140 -3.731 -6.007 1.00 3.77 N ATOM 0 H ARG A 44 -5.689 -1.779 -0.565 1.00 0.55 H new ATOM 0 HA ARG A 44 -8.286 -0.509 -1.211 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.682 -3.016 -2.022 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -8.172 -3.377 -0.378 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -10.374 -2.586 -0.724 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.926 -1.670 -2.150 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.302 -4.513 -2.470 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.993 -4.273 -2.076 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.115 -2.435 -4.149 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.130 -5.761 -3.510 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -11.714 -6.019 -5.157 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -10.871 -2.780 -6.258 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -11.568 -4.340 -6.704 1.00 3.77 H new ATOM 533 N ILE A 45 -8.701 -0.215 1.219 1.00 0.55 N ATOM 534 CA ILE A 45 -8.914 0.018 2.645 1.00 0.61 C ATOM 535 C ILE A 45 -10.260 -0.522 3.115 1.00 0.59 C ATOM 536 O ILE A 45 -11.298 0.088 2.870 1.00 0.60 O ATOM 537 CB ILE A 45 -8.847 1.518 2.981 1.00 0.71 C ATOM 538 CG1 ILE A 45 -7.586 2.143 2.391 1.00 0.59 C ATOM 539 CG2 ILE A 45 -8.892 1.729 4.487 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.680 2.425 0.908 1.00 0.63 C ATOM 0 H ILE A 45 -9.229 0.405 0.605 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.115 -0.513 3.163 1.00 0.61 H new ATOM 0 HB ILE A 45 -9.714 2.009 2.538 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -7.374 3.075 2.916 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -6.743 1.476 2.572 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -8.844 2.796 4.707 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -9.820 1.318 4.884 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -8.044 1.224 4.951 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -6.746 2.868 0.562 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -7.860 1.494 0.371 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -8.501 3.117 0.721 1.00 0.63 H new ATOM 544 N VAL A 46 -10.233 -1.657 3.805 1.00 0.63 N ATOM 545 CA VAL A 46 -11.455 -2.265 4.321 1.00 0.63 C ATOM 546 C VAL A 46 -11.211 -2.925 5.677 1.00 0.64 C ATOM 547 O VAL A 46 -10.085 -3.298 6.003 1.00 0.68 O ATOM 548 CB VAL A 46 -12.031 -3.302 3.333 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.159 -4.549 3.278 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.462 -3.655 3.711 1.00 1.52 C ATOM 0 H VAL A 46 -9.380 -2.174 4.020 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.183 -1.463 4.445 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.037 -2.859 2.337 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.588 -5.262 2.574 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.155 -4.277 2.952 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.109 -5.002 4.268 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.855 -4.387 3.005 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.480 -4.075 4.717 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.078 -2.756 3.682 1.00 1.52 H new ATOM 554 N ASP A 47 -12.275 -3.062 6.467 1.00 0.66 N ATOM 555 CA ASP A 47 -12.180 -3.670 7.795 1.00 0.71 C ATOM 556 C ASP A 47 -11.391 -4.977 7.759 1.00 0.74 C ATOM 557 O ASP A 47 -11.306 -5.634 6.722 1.00 0.81 O ATOM 558 CB ASP A 47 -13.581 -3.921 8.359 1.00 0.75 C ATOM 559 CG ASP A 47 -13.743 -3.379 9.765 1.00 1.35 C ATOM 560 OD1 ASP A 47 -13.074 -2.378 10.097 1.00 1.88 O ATOM 561 OD2 ASP A 47 -14.541 -3.955 10.536 1.00 2.11 O ATOM 0 H ASP A 47 -13.215 -2.760 6.210 1.00 0.66 H new ATOM 0 HA ASP A 47 -11.647 -2.974 8.443 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.321 -3.458 7.706 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -13.783 -4.992 8.360 1.00 0.75 H new ATOM 566 N GLU A 48 -10.813 -5.343 8.901 1.00 0.76 N ATOM 567 CA GLU A 48 -10.023 -6.568 9.009 1.00 0.82 C ATOM 568 C GLU A 48 -10.817 -7.783 8.536 1.00 0.79 C ATOM 569 O GLU A 48 -10.414 -8.474 7.601 1.00 0.83 O ATOM 570 CB GLU A 48 -9.562 -6.778 10.456 1.00 0.92 C ATOM 571 CG GLU A 48 -8.100 -7.177 10.575 1.00 1.39 C ATOM 572 CD GLU A 48 -7.609 -7.172 12.010 1.00 1.59 C ATOM 573 OE1 GLU A 48 -8.292 -7.763 12.873 1.00 2.30 O ATOM 574 OE2 GLU A 48 -6.543 -6.576 12.271 1.00 1.81 O ATOM 0 H GLU A 48 -10.877 -4.807 9.767 1.00 0.76 H new ATOM 0 HA GLU A 48 -9.150 -6.459 8.366 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -9.726 -5.859 11.018 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -10.179 -7.549 10.917 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -7.963 -8.172 10.152 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -7.491 -6.493 9.984 1.00 1.39 H new ATOM 581 N ALA A 49 -11.948 -8.040 9.188 1.00 0.86 N ATOM 582 CA ALA A 49 -12.795 -9.172 8.829 1.00 0.89 C ATOM 583 C ALA A 49 -13.106 -9.170 7.337 1.00 0.83 C ATOM 584 O ALA A 49 -12.948 -10.182 6.654 1.00 0.80 O ATOM 585 CB ALA A 49 -14.081 -9.146 9.639 1.00 0.99 C ATOM 0 H ALA A 49 -12.298 -7.481 9.966 1.00 0.86 H new ATOM 0 HA ALA A 49 -12.253 -10.089 9.060 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -14.703 -9.996 9.361 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -13.843 -9.203 10.701 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -14.620 -8.220 9.437 1.00 0.99 H new ATOM 591 N GLU A 50 -13.540 -8.019 6.841 1.00 0.87 N ATOM 592 CA GLU A 50 -13.872 -7.866 5.429 1.00 0.88 C ATOM 593 C GLU A 50 -12.659 -8.167 4.555 1.00 0.84 C ATOM 594 O GLU A 50 -12.747 -8.943 3.603 1.00 0.85 O ATOM 595 CB GLU A 50 -14.375 -6.449 5.156 1.00 0.98 C ATOM 596 CG GLU A 50 -15.782 -6.195 5.671 1.00 1.52 C ATOM 597 CD GLU A 50 -16.806 -6.105 4.556 1.00 1.54 C ATOM 598 OE1 GLU A 50 -16.943 -5.016 3.961 1.00 2.17 O ATOM 599 OE2 GLU A 50 -17.468 -7.126 4.276 1.00 1.85 O ATOM 0 H GLU A 50 -13.671 -7.174 7.397 1.00 0.87 H new ATOM 0 HA GLU A 50 -14.661 -8.577 5.183 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -13.693 -5.735 5.618 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.351 -6.264 4.082 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -16.064 -6.996 6.354 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -15.793 -5.268 6.244 1.00 1.52 H new ATOM 606 N SER A 51 -11.526 -7.554 4.888 1.00 0.87 N ATOM 607 CA SER A 51 -10.295 -7.765 4.135 1.00 0.92 C ATOM 608 C SER A 51 -9.919 -9.241 4.126 1.00 0.84 C ATOM 609 O SER A 51 -9.746 -9.845 3.066 1.00 0.83 O ATOM 610 CB SER A 51 -9.155 -6.942 4.736 1.00 1.04 C ATOM 611 OG SER A 51 -9.268 -6.856 6.144 1.00 1.90 O ATOM 0 H SER A 51 -11.436 -6.909 5.673 1.00 0.87 H new ATOM 0 HA SER A 51 -10.464 -7.440 3.108 1.00 0.92 H new ATOM 0 HB2 SER A 51 -8.199 -7.395 4.473 1.00 1.04 H new ATOM 0 HB3 SER A 51 -9.162 -5.940 4.307 1.00 1.04 H new ATOM 0 HG SER A 51 -9.849 -6.103 6.380 1.00 1.90 H new ATOM 617 N HIS A 52 -9.806 -9.818 5.319 1.00 0.86 N ATOM 618 CA HIS A 52 -9.462 -11.227 5.456 1.00 0.86 C ATOM 619 C HIS A 52 -10.474 -12.095 4.719 1.00 0.83 C ATOM 620 O HIS A 52 -10.135 -13.157 4.197 1.00 0.90 O ATOM 621 CB HIS A 52 -9.408 -11.619 6.933 1.00 0.94 C ATOM 622 CG HIS A 52 -8.318 -10.930 7.694 1.00 0.99 C ATOM 623 ND1 HIS A 52 -7.655 -9.775 7.444 1.00 1.39 N flip ATOM 624 CD2 HIS A 52 -7.790 -11.425 8.867 1.00 1.61 C flip ATOM 625 CE1 HIS A 52 -6.749 -9.598 8.460 1.00 1.28 C flip ATOM 626 NE2 HIS A 52 -6.850 -10.606 9.306 1.00 1.39 N flip ATOM 0 H HIS A 52 -9.948 -9.330 6.204 1.00 0.86 H new ATOM 0 HA HIS A 52 -8.478 -11.387 5.015 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -10.367 -11.388 7.397 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -9.268 -12.697 7.010 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -8.097 -12.340 9.352 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -6.064 -8.768 8.552 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -6.297 -10.732 10.154 1.00 1.39 H new ATOM 635 N GLU A 53 -11.718 -11.629 4.672 1.00 0.86 N ATOM 636 CA GLU A 53 -12.778 -12.356 3.988 1.00 0.95 C ATOM 637 C GLU A 53 -12.594 -12.269 2.477 1.00 0.94 C ATOM 638 O GLU A 53 -12.501 -13.287 1.794 1.00 0.95 O ATOM 639 CB GLU A 53 -14.150 -11.801 4.381 1.00 1.10 C ATOM 640 CG GLU A 53 -14.901 -12.679 5.370 1.00 1.68 C ATOM 641 CD GLU A 53 -14.355 -12.568 6.779 1.00 2.38 C ATOM 642 OE1 GLU A 53 -14.776 -11.645 7.509 1.00 2.71 O ATOM 643 OE2 GLU A 53 -13.506 -13.405 7.155 1.00 3.10 O ATOM 0 H GLU A 53 -12.015 -10.752 5.099 1.00 0.86 H new ATOM 0 HA GLU A 53 -12.724 -13.402 4.289 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -14.021 -10.809 4.814 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -14.755 -11.681 3.482 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.955 -12.401 5.370 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -14.845 -13.717 5.043 1.00 1.68 H new ATOM 650 N LEU A 54 -12.540 -11.043 1.963 1.00 0.95 N ATOM 651 CA LEU A 54 -12.364 -10.819 0.532 1.00 1.00 C ATOM 652 C LEU A 54 -11.100 -11.505 0.021 1.00 0.89 C ATOM 653 O LEU A 54 -11.139 -12.254 -0.955 1.00 0.93 O ATOM 654 CB LEU A 54 -12.298 -9.322 0.228 1.00 1.06 C ATOM 655 CG LEU A 54 -11.809 -8.973 -1.177 1.00 1.15 C ATOM 656 CD1 LEU A 54 -12.759 -9.530 -2.226 1.00 1.23 C ATOM 657 CD2 LEU A 54 -11.664 -7.470 -1.334 1.00 1.24 C ATOM 0 H LEU A 54 -12.616 -10.190 2.517 1.00 0.95 H new ATOM 0 HA LEU A 54 -13.224 -11.250 0.020 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.290 -8.893 0.369 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.639 -8.847 0.955 1.00 1.06 H new ATOM 0 HG LEU A 54 -10.830 -9.429 -1.323 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -12.395 -9.272 -3.220 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -12.812 -10.614 -2.129 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -13.752 -9.104 -2.081 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -11.315 -7.241 -2.341 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -12.629 -6.992 -1.167 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -10.944 -7.096 -0.607 1.00 1.24 H new ATOM 663 N ASN A 55 -9.979 -11.239 0.687 1.00 0.78 N ATOM 664 CA ASN A 55 -8.696 -11.824 0.308 1.00 0.71 C ATOM 665 C ASN A 55 -8.847 -13.318 0.036 1.00 0.69 C ATOM 666 O ASN A 55 -8.595 -13.797 -1.077 1.00 0.74 O ATOM 667 CB ASN A 55 -7.679 -11.588 1.432 1.00 0.68 C ATOM 668 CG ASN A 55 -6.362 -12.310 1.218 1.00 1.33 C ATOM 669 OD1 ASN A 55 -5.889 -12.448 0.090 1.00 2.28 O ATOM 670 ND2 ASN A 55 -5.766 -12.777 2.311 1.00 1.42 N ATOM 0 H ASN A 55 -9.934 -10.619 1.496 1.00 0.78 H new ATOM 0 HA ASN A 55 -8.343 -11.347 -0.606 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -7.488 -10.518 1.520 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -8.113 -11.913 2.378 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -4.878 -13.274 2.235 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -6.196 -12.638 3.225 1.00 1.42 H new ATOM 675 N LEU A 56 -9.265 -14.044 1.061 1.00 0.71 N ATOM 676 CA LEU A 56 -9.455 -15.479 0.944 1.00 0.79 C ATOM 677 C LEU A 56 -10.680 -15.817 0.101 1.00 0.87 C ATOM 678 O LEU A 56 -10.790 -16.919 -0.436 1.00 0.97 O ATOM 679 CB LEU A 56 -9.578 -16.112 2.324 1.00 0.84 C ATOM 680 CG LEU A 56 -8.252 -16.295 3.056 1.00 0.89 C ATOM 681 CD1 LEU A 56 -7.501 -14.975 3.122 1.00 0.91 C ATOM 682 CD2 LEU A 56 -8.490 -16.855 4.451 1.00 0.92 C ATOM 0 H LEU A 56 -9.479 -13.662 1.982 1.00 0.71 H new ATOM 0 HA LEU A 56 -8.579 -15.887 0.440 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -10.234 -15.494 2.936 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -10.060 -17.084 2.222 1.00 0.84 H new ATOM 0 HG LEU A 56 -7.641 -17.009 2.504 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -6.557 -15.120 3.647 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -7.304 -14.618 2.111 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -8.104 -14.240 3.655 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -7.535 -16.980 4.961 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -9.116 -16.166 5.018 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -8.990 -17.821 4.375 1.00 0.92 H new ATOM 688 N THR A 57 -11.601 -14.866 -0.008 1.00 0.93 N ATOM 689 CA THR A 57 -12.817 -15.069 -0.782 1.00 1.09 C ATOM 690 C THR A 57 -12.500 -15.282 -2.261 1.00 1.14 C ATOM 691 O THR A 57 -13.269 -15.919 -2.980 1.00 1.27 O ATOM 692 CB THR A 57 -13.759 -13.869 -0.610 1.00 1.23 C ATOM 693 OG1 THR A 57 -14.502 -13.987 0.591 1.00 1.51 O ATOM 694 CG2 THR A 57 -14.751 -13.697 -1.743 1.00 1.45 C ATOM 0 H THR A 57 -11.528 -13.948 0.430 1.00 0.93 H new ATOM 0 HA THR A 57 -13.310 -15.967 -0.409 1.00 1.09 H new ATOM 0 HB THR A 57 -13.104 -12.998 -0.596 1.00 1.23 H new ATOM 0 HG1 THR A 57 -13.889 -14.135 1.341 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.380 -12.829 -1.547 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.212 -13.551 -2.679 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.375 -14.587 -1.818 1.00 1.45 H new ATOM 699 N TYR A 58 -11.379 -14.731 -2.721 1.00 1.08 N ATOM 700 CA TYR A 58 -11.005 -14.861 -4.125 1.00 1.17 C ATOM 701 C TYR A 58 -9.728 -15.682 -4.324 1.00 1.08 C ATOM 702 O TYR A 58 -9.625 -16.429 -5.299 1.00 1.19 O ATOM 703 CB TYR A 58 -10.856 -13.475 -4.766 1.00 1.25 C ATOM 704 CG TYR A 58 -9.500 -12.836 -4.560 1.00 1.20 C ATOM 705 CD1 TYR A 58 -8.455 -13.087 -5.440 1.00 1.25 C ATOM 706 CD2 TYR A 58 -9.267 -11.986 -3.488 1.00 1.67 C ATOM 707 CE1 TYR A 58 -7.215 -12.506 -5.256 1.00 1.55 C ATOM 708 CE2 TYR A 58 -8.031 -11.403 -3.296 1.00 2.23 C ATOM 709 CZ TYR A 58 -7.008 -11.667 -4.183 1.00 2.11 C ATOM 710 OH TYR A 58 -5.773 -11.090 -3.996 1.00 2.74 O ATOM 0 H TYR A 58 -10.723 -14.198 -2.151 1.00 1.08 H new ATOM 0 HA TYR A 58 -11.810 -15.405 -4.620 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -11.046 -13.560 -5.836 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -11.621 -12.815 -4.358 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -8.614 -13.746 -6.281 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -10.066 -11.777 -2.792 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -6.412 -12.708 -5.950 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -7.866 -10.744 -2.456 1.00 2.23 H new ATOM 0 HH TYR A 58 -5.765 -10.602 -3.146 1.00 2.74 H new ATOM 720 N ARG A 59 -8.745 -15.539 -3.432 1.00 0.99 N ATOM 721 CA ARG A 59 -7.492 -16.285 -3.594 1.00 0.99 C ATOM 722 C ARG A 59 -7.279 -17.319 -2.485 1.00 0.90 C ATOM 723 O ARG A 59 -6.712 -18.386 -2.725 1.00 0.97 O ATOM 724 CB ARG A 59 -6.310 -15.303 -3.670 1.00 1.05 C ATOM 725 CG ARG A 59 -5.298 -15.423 -2.537 1.00 1.58 C ATOM 726 CD ARG A 59 -4.301 -16.543 -2.793 1.00 1.65 C ATOM 727 NE ARG A 59 -3.603 -16.376 -4.066 1.00 2.22 N ATOM 728 CZ ARG A 59 -2.802 -17.297 -4.598 1.00 2.71 C ATOM 729 NH1 ARG A 59 -2.596 -18.448 -3.970 1.00 3.08 N ATOM 730 NH2 ARG A 59 -2.206 -17.066 -5.759 1.00 3.32 N ATOM 0 H ARG A 59 -8.786 -14.933 -2.613 1.00 0.99 H new ATOM 0 HA ARG A 59 -7.555 -16.845 -4.527 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -5.792 -15.454 -4.617 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -6.702 -14.286 -3.680 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -4.765 -14.479 -2.423 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -5.821 -15.608 -1.599 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -3.573 -16.573 -1.982 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -4.822 -17.500 -2.789 1.00 1.65 H new ATOM 0 HE ARG A 59 -3.737 -15.503 -4.577 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -3.052 -18.630 -3.076 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -1.982 -19.151 -4.381 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -2.361 -16.183 -6.245 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -1.592 -17.772 -6.167 1.00 3.32 H new ATOM 744 N GLY A 60 -7.738 -17.007 -1.284 1.00 0.81 N ATOM 745 CA GLY A 60 -7.580 -17.930 -0.170 1.00 0.80 C ATOM 746 C GLY A 60 -6.165 -17.955 0.388 1.00 0.78 C ATOM 747 O GLY A 60 -5.432 -18.922 0.181 1.00 0.88 O ATOM 0 H GLY A 60 -8.216 -16.135 -1.056 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -8.273 -17.653 0.625 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -7.854 -18.934 -0.496 1.00 0.80 H new ATOM 751 N LYS A 61 -5.777 -16.898 1.104 1.00 0.76 N ATOM 752 CA LYS A 61 -4.438 -16.828 1.692 1.00 0.90 C ATOM 753 C LYS A 61 -4.381 -15.841 2.860 1.00 0.95 C ATOM 754 O LYS A 61 -4.138 -14.651 2.670 1.00 1.42 O ATOM 755 CB LYS A 61 -3.410 -16.434 0.628 1.00 1.17 C ATOM 756 CG LYS A 61 -3.550 -14.998 0.131 1.00 1.31 C ATOM 757 CD LYS A 61 -2.420 -14.117 0.641 1.00 1.00 C ATOM 758 CE LYS A 61 -1.190 -14.217 -0.247 1.00 1.42 C ATOM 759 NZ LYS A 61 -0.147 -15.100 0.344 1.00 2.13 N ATOM 0 H LYS A 61 -6.365 -16.085 1.290 1.00 0.76 H new ATOM 0 HA LYS A 61 -4.199 -17.819 2.078 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -2.409 -16.570 1.037 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -3.503 -17.112 -0.221 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -3.556 -14.988 -0.959 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -4.506 -14.590 0.459 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -2.756 -13.081 0.683 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -2.160 -14.410 1.658 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.479 -14.601 -1.225 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -0.775 -13.222 -0.406 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 0.691 -14.534 0.586 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -0.520 -15.551 1.204 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 0.118 -15.833 -0.344 1.00 2.13 H new ATOM 773 N ASP A 62 -4.591 -16.342 4.072 1.00 1.17 N ATOM 774 CA ASP A 62 -4.546 -15.500 5.261 1.00 1.25 C ATOM 775 C ASP A 62 -3.427 -15.924 6.202 1.00 1.66 C ATOM 776 O ASP A 62 -2.911 -17.039 6.123 1.00 2.50 O ATOM 777 CB ASP A 62 -5.875 -15.534 6.013 1.00 1.84 C ATOM 778 CG ASP A 62 -6.266 -16.937 6.435 1.00 2.50 C ATOM 779 OD1 ASP A 62 -5.738 -17.903 5.846 1.00 3.06 O ATOM 780 OD2 ASP A 62 -7.102 -17.068 7.354 1.00 2.95 O ATOM 0 H ASP A 62 -4.794 -17.324 4.257 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.354 -14.483 4.920 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -5.806 -14.898 6.896 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -6.658 -15.117 5.380 1.00 1.84 H new ATOM 785 N ARG A 63 -3.071 -15.015 7.095 1.00 1.71 N ATOM 786 CA ARG A 63 -2.025 -15.245 8.078 1.00 2.49 C ATOM 787 C ARG A 63 -2.029 -14.088 9.070 1.00 2.22 C ATOM 788 O ARG A 63 -2.792 -13.142 8.891 1.00 1.77 O ATOM 789 CB ARG A 63 -0.666 -15.354 7.381 1.00 3.33 C ATOM 790 CG ARG A 63 -0.058 -16.748 7.443 1.00 4.23 C ATOM 791 CD ARG A 63 -0.224 -17.492 6.127 1.00 4.88 C ATOM 792 NE ARG A 63 1.063 -17.884 5.554 1.00 5.84 N ATOM 793 CZ ARG A 63 1.830 -17.074 4.827 1.00 6.66 C ATOM 794 NH1 ARG A 63 1.448 -15.826 4.585 1.00 6.76 N ATOM 795 NH2 ARG A 63 2.983 -17.514 4.342 1.00 7.66 N ATOM 0 H ARG A 63 -3.502 -14.093 7.159 1.00 1.71 H new ATOM 0 HA ARG A 63 -2.208 -16.179 8.609 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -0.778 -15.062 6.337 1.00 3.33 H new ATOM 0 HB3 ARG A 63 0.025 -14.645 7.838 1.00 3.33 H new ATOM 0 HG2 ARG A 63 1.002 -16.673 7.687 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -0.530 -17.316 8.244 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -0.835 -18.380 6.287 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -0.759 -16.860 5.418 1.00 4.88 H new ATOM 0 HE ARG A 63 1.393 -18.835 5.721 1.00 5.84 H new ATOM 0 HH11 ARG A 63 0.562 -15.483 4.957 1.00 6.76 H new ATOM 0 HH12 ARG A 63 2.040 -15.210 4.027 1.00 6.76 H new ATOM 0 HH21 ARG A 63 3.281 -18.472 4.526 1.00 7.66 H new ATOM 0 HH22 ARG A 63 3.572 -16.895 3.785 1.00 7.66 H new ATOM 809 N PRO A 64 -1.187 -14.121 10.120 1.00 3.04 N ATOM 810 CA PRO A 64 -1.134 -13.028 11.094 1.00 3.30 C ATOM 811 C PRO A 64 -0.791 -11.710 10.409 1.00 2.79 C ATOM 812 O PRO A 64 0.310 -11.179 10.567 1.00 3.00 O ATOM 813 CB PRO A 64 -0.023 -13.447 12.065 1.00 4.45 C ATOM 814 CG PRO A 64 0.748 -14.508 11.353 1.00 4.81 C ATOM 815 CD PRO A 64 -0.229 -15.192 10.438 1.00 4.12 C ATOM 0 HA PRO A 64 -2.088 -12.866 11.597 1.00 3.30 H new ATOM 0 HB2 PRO A 64 0.616 -12.601 12.319 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -0.439 -13.824 12.999 1.00 4.45 H new ATOM 0 HG2 PRO A 64 1.574 -14.076 10.788 1.00 4.81 H new ATOM 0 HG3 PRO A 64 1.181 -15.216 12.060 1.00 4.81 H new ATOM 0 HD2 PRO A 64 0.258 -15.577 9.542 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -0.715 -16.037 10.925 1.00 4.12 H new ATOM 823 N THR A 65 -1.736 -11.205 9.620 1.00 2.27 N ATOM 824 CA THR A 65 -1.543 -9.971 8.874 1.00 2.01 C ATOM 825 C THR A 65 -2.804 -9.111 8.889 1.00 1.59 C ATOM 826 O THR A 65 -3.849 -9.518 8.384 1.00 1.81 O ATOM 827 CB THR A 65 -1.159 -10.302 7.425 1.00 2.13 C ATOM 828 OG1 THR A 65 0.112 -10.924 7.373 1.00 2.47 O ATOM 829 CG2 THR A 65 -1.113 -9.088 6.524 1.00 2.82 C ATOM 0 H THR A 65 -2.649 -11.638 9.482 1.00 2.27 H new ATOM 0 HA THR A 65 -0.742 -9.405 9.350 1.00 2.01 H new ATOM 0 HB THR A 65 -1.941 -10.970 7.065 1.00 2.13 H new ATOM 0 HG1 THR A 65 0.338 -11.128 6.442 1.00 2.47 H new ATOM 0 HG21 THR A 65 -0.835 -9.394 5.515 1.00 2.82 H new ATOM 0 HG22 THR A 65 -2.094 -8.614 6.502 1.00 2.82 H new ATOM 0 HG23 THR A 65 -0.376 -8.380 6.904 1.00 2.82 H new ATOM 834 N ASN A 66 -2.691 -7.914 9.451 1.00 1.36 N ATOM 835 CA ASN A 66 -3.817 -6.989 9.506 1.00 1.09 C ATOM 836 C ASN A 66 -3.999 -6.289 8.159 1.00 0.83 C ATOM 837 O ASN A 66 -4.969 -5.560 7.951 1.00 1.09 O ATOM 838 CB ASN A 66 -3.601 -5.952 10.609 1.00 1.37 C ATOM 839 CG ASN A 66 -2.250 -5.274 10.508 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.415 -5.648 9.685 1.00 2.36 O ATOM 841 ND2 ASN A 66 -2.028 -4.269 11.347 1.00 1.35 N ATOM 0 H ASN A 66 -1.833 -7.561 9.875 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.719 -7.559 9.730 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -4.387 -5.199 10.555 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.690 -6.436 11.582 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -1.137 -3.774 11.325 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -2.749 -3.992 12.013 1.00 1.35 H new ATOM 846 N VAL A 67 -3.054 -6.519 7.249 1.00 0.71 N ATOM 847 CA VAL A 67 -3.091 -5.922 5.921 1.00 0.79 C ATOM 848 C VAL A 67 -2.633 -6.934 4.873 1.00 0.79 C ATOM 849 O VAL A 67 -1.435 -7.145 4.688 1.00 0.81 O ATOM 850 CB VAL A 67 -2.184 -4.676 5.851 1.00 1.12 C ATOM 851 CG1 VAL A 67 -2.146 -4.102 4.442 1.00 1.59 C ATOM 852 CG2 VAL A 67 -2.647 -3.627 6.851 1.00 1.51 C ATOM 0 H VAL A 67 -2.247 -7.121 7.413 1.00 0.71 H new ATOM 0 HA VAL A 67 -4.120 -5.624 5.718 1.00 0.79 H new ATOM 0 HB VAL A 67 -1.170 -4.979 6.112 1.00 1.12 H new ATOM 0 HG11 VAL A 67 -1.499 -3.225 4.424 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.759 -4.853 3.753 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -3.153 -3.816 4.138 1.00 1.59 H new ATOM 0 HG21 VAL A 67 -1.997 -2.754 6.790 1.00 1.51 H new ATOM 0 HG22 VAL A 67 -3.672 -3.334 6.622 1.00 1.51 H new ATOM 0 HG23 VAL A 67 -2.604 -4.041 7.858 1.00 1.51 H new ATOM 856 N LEU A 68 -3.587 -7.563 4.194 1.00 0.86 N ATOM 857 CA LEU A 68 -3.257 -8.557 3.179 1.00 0.89 C ATOM 858 C LEU A 68 -2.860 -7.885 1.872 1.00 0.81 C ATOM 859 O LEU A 68 -3.455 -6.889 1.467 1.00 0.75 O ATOM 860 CB LEU A 68 -4.439 -9.504 2.925 1.00 0.99 C ATOM 861 CG LEU A 68 -5.080 -10.145 4.166 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.073 -10.304 5.293 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.275 -9.324 4.625 1.00 1.10 C ATOM 0 H LEU A 68 -4.586 -7.404 4.326 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.414 -9.137 3.555 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -5.211 -8.951 2.389 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -4.101 -10.302 2.264 1.00 0.99 H new ATOM 0 HG LEU A 68 -5.424 -11.142 3.890 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.560 -10.760 6.155 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.253 -10.940 4.961 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -3.683 -9.326 5.573 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.720 -9.789 5.505 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -5.949 -8.314 4.874 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.014 -9.279 3.825 1.00 1.10 H new ATOM 869 N SER A 69 -1.854 -8.443 1.214 1.00 0.96 N ATOM 870 CA SER A 69 -1.379 -7.905 -0.054 1.00 0.97 C ATOM 871 C SER A 69 -1.768 -8.830 -1.198 1.00 0.86 C ATOM 872 O SER A 69 -1.507 -10.032 -1.152 1.00 0.89 O ATOM 873 CB SER A 69 0.138 -7.717 -0.022 1.00 1.18 C ATOM 874 OG SER A 69 0.551 -6.743 -0.964 1.00 1.85 O ATOM 0 H SER A 69 -1.350 -9.269 1.537 1.00 0.96 H new ATOM 0 HA SER A 69 -1.846 -6.933 -0.213 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.449 -7.415 0.978 1.00 1.18 H new ATOM 0 HB3 SER A 69 0.630 -8.666 -0.236 1.00 1.18 H new ATOM 0 HG SER A 69 -0.184 -6.555 -1.584 1.00 1.85 H new ATOM 880 N PHE A 70 -2.401 -8.267 -2.219 1.00 0.81 N ATOM 881 CA PHE A 70 -2.832 -9.050 -3.368 1.00 0.82 C ATOM 882 C PHE A 70 -1.849 -8.903 -4.528 1.00 0.91 C ATOM 883 O PHE A 70 -1.908 -7.932 -5.283 1.00 1.03 O ATOM 884 CB PHE A 70 -4.236 -8.619 -3.800 1.00 0.89 C ATOM 885 CG PHE A 70 -5.279 -8.773 -2.723 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.997 -9.451 -1.546 1.00 1.81 C ATOM 887 CD2 PHE A 70 -6.547 -8.238 -2.892 1.00 1.16 C ATOM 888 CE1 PHE A 70 -5.954 -9.592 -0.562 1.00 2.03 C ATOM 889 CE2 PHE A 70 -7.510 -8.377 -1.908 1.00 1.33 C ATOM 890 CZ PHE A 70 -7.212 -9.055 -0.742 1.00 1.48 C ATOM 0 H PHE A 70 -2.627 -7.274 -2.274 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.858 -10.101 -3.079 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -4.205 -7.576 -4.116 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -4.535 -9.206 -4.668 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.015 -9.874 -1.398 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -6.786 -7.707 -3.802 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -5.718 -10.123 0.349 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -8.494 -7.956 -2.052 1.00 1.33 H new ATOM 0 HZ PHE A 70 -7.962 -9.164 0.027 1.00 1.48 H new ATOM 900 N PRO A 71 -0.925 -9.870 -4.683 1.00 0.95 N ATOM 901 CA PRO A 71 0.072 -9.838 -5.756 1.00 1.11 C ATOM 902 C PRO A 71 -0.548 -10.087 -7.127 1.00 1.11 C ATOM 903 O PRO A 71 -1.514 -10.839 -7.253 1.00 1.14 O ATOM 904 CB PRO A 71 1.026 -10.978 -5.388 1.00 1.18 C ATOM 905 CG PRO A 71 0.194 -11.920 -4.590 1.00 1.13 C ATOM 906 CD PRO A 71 -0.779 -11.064 -3.828 1.00 0.95 C ATOM 0 HA PRO A 71 0.558 -8.865 -5.833 1.00 1.11 H new ATOM 0 HB2 PRO A 71 1.429 -11.461 -6.278 1.00 1.18 H new ATOM 0 HB3 PRO A 71 1.876 -10.613 -4.811 1.00 1.18 H new ATOM 0 HG2 PRO A 71 -0.329 -12.624 -5.237 1.00 1.13 H new ATOM 0 HG3 PRO A 71 0.812 -12.508 -3.911 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -1.732 -11.572 -3.681 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.399 -10.806 -2.839 1.00 0.95 H new ATOM 914 N PHE A 72 0.016 -9.456 -8.152 1.00 1.22 N ATOM 915 CA PHE A 72 -0.481 -9.615 -9.515 1.00 1.28 C ATOM 916 C PHE A 72 -0.526 -11.087 -9.911 1.00 1.36 C ATOM 917 O PHE A 72 0.251 -11.897 -9.407 1.00 1.47 O ATOM 918 CB PHE A 72 0.399 -8.834 -10.500 1.00 1.36 C ATOM 919 CG PHE A 72 1.795 -9.386 -10.684 1.00 1.05 C ATOM 920 CD1 PHE A 72 2.376 -10.220 -9.736 1.00 1.38 C ATOM 921 CD2 PHE A 72 2.531 -9.056 -11.812 1.00 1.65 C ATOM 922 CE1 PHE A 72 3.657 -10.708 -9.911 1.00 1.46 C ATOM 923 CE2 PHE A 72 3.812 -9.545 -11.993 1.00 1.83 C ATOM 924 CZ PHE A 72 4.375 -10.370 -11.041 1.00 1.39 C ATOM 0 H PHE A 72 0.817 -8.830 -8.065 1.00 1.22 H new ATOM 0 HA PHE A 72 -1.495 -9.217 -9.552 1.00 1.28 H new ATOM 0 HB2 PHE A 72 -0.098 -8.812 -11.470 1.00 1.36 H new ATOM 0 HB3 PHE A 72 0.475 -7.802 -10.157 1.00 1.36 H new ATOM 0 HD1 PHE A 72 1.819 -10.490 -8.851 1.00 1.38 H new ATOM 0 HD2 PHE A 72 2.098 -8.408 -12.560 1.00 1.65 H new ATOM 0 HE1 PHE A 72 4.096 -11.353 -9.165 1.00 1.46 H new ATOM 0 HE2 PHE A 72 4.371 -9.281 -12.879 1.00 1.83 H new ATOM 0 HZ PHE A 72 5.376 -10.751 -11.180 1.00 1.39 H new ATOM 934 N GLU A 73 -1.434 -11.431 -10.819 1.00 1.56 N ATOM 935 CA GLU A 73 -1.554 -12.810 -11.272 1.00 1.67 C ATOM 936 C GLU A 73 -0.322 -13.191 -12.082 1.00 1.31 C ATOM 937 O GLU A 73 -0.364 -13.258 -13.311 1.00 1.43 O ATOM 938 CB GLU A 73 -2.816 -12.990 -12.118 1.00 2.21 C ATOM 939 CG GLU A 73 -2.986 -11.926 -13.191 1.00 2.25 C ATOM 940 CD GLU A 73 -4.011 -12.314 -14.239 1.00 2.36 C ATOM 941 OE1 GLU A 73 -4.163 -13.526 -14.501 1.00 2.62 O ATOM 942 OE2 GLU A 73 -4.663 -11.406 -14.797 1.00 2.89 O ATOM 0 H GLU A 73 -2.090 -10.781 -11.251 1.00 1.56 H new ATOM 0 HA GLU A 73 -1.629 -13.461 -10.401 1.00 1.67 H new ATOM 0 HB2 GLU A 73 -2.789 -13.971 -12.592 1.00 2.21 H new ATOM 0 HB3 GLU A 73 -3.687 -12.976 -11.463 1.00 2.21 H new ATOM 0 HG2 GLU A 73 -3.287 -10.988 -12.723 1.00 2.25 H new ATOM 0 HG3 GLU A 73 -2.026 -11.747 -13.675 1.00 2.25 H new ATOM 949 N CYS A 74 0.779 -13.427 -11.379 1.00 1.48 N ATOM 950 CA CYS A 74 2.035 -13.786 -12.015 1.00 1.68 C ATOM 951 C CYS A 74 2.885 -14.649 -11.080 1.00 1.76 C ATOM 952 O CYS A 74 2.493 -14.905 -9.941 1.00 2.31 O ATOM 953 CB CYS A 74 2.789 -12.517 -12.410 1.00 2.63 C ATOM 954 SG CYS A 74 2.899 -12.247 -14.197 1.00 3.95 S ATOM 0 H CYS A 74 0.824 -13.375 -10.361 1.00 1.48 H new ATOM 0 HA CYS A 74 1.826 -14.369 -12.912 1.00 1.68 H new ATOM 0 HB2 CYS A 74 2.297 -11.658 -11.953 1.00 2.63 H new ATOM 0 HB3 CYS A 74 3.797 -12.563 -11.998 1.00 2.63 H new ATOM 0 HG CYS A 74 3.317 -11.038 -14.428 1.00 3.95 H new ATOM 960 N PRO A 75 4.064 -15.108 -11.540 1.00 1.68 N ATOM 961 CA PRO A 75 4.950 -15.937 -10.721 1.00 2.01 C ATOM 962 C PRO A 75 5.641 -15.131 -9.624 1.00 2.43 C ATOM 963 O PRO A 75 5.364 -13.945 -9.446 1.00 3.08 O ATOM 964 CB PRO A 75 5.971 -16.470 -11.726 1.00 2.13 C ATOM 965 CG PRO A 75 6.003 -15.454 -12.814 1.00 2.21 C ATOM 966 CD PRO A 75 4.623 -14.856 -12.883 1.00 1.89 C ATOM 0 HA PRO A 75 4.407 -16.723 -10.196 1.00 2.01 H new ATOM 0 HB2 PRO A 75 6.953 -16.589 -11.267 1.00 2.13 H new ATOM 0 HB3 PRO A 75 5.677 -17.448 -12.107 1.00 2.13 H new ATOM 0 HG2 PRO A 75 6.748 -14.686 -12.606 1.00 2.21 H new ATOM 0 HG3 PRO A 75 6.275 -15.913 -13.765 1.00 2.21 H new ATOM 0 HD2 PRO A 75 4.659 -13.790 -13.108 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.022 -15.326 -13.661 1.00 1.89 H new ATOM 974 N ASP A 76 6.537 -15.782 -8.889 1.00 2.55 N ATOM 975 CA ASP A 76 7.260 -15.121 -7.807 1.00 3.28 C ATOM 976 C ASP A 76 8.548 -14.475 -8.314 1.00 3.54 C ATOM 977 O ASP A 76 8.596 -13.267 -8.548 1.00 4.33 O ATOM 978 CB ASP A 76 7.578 -16.121 -6.692 1.00 3.70 C ATOM 979 CG ASP A 76 6.384 -16.392 -5.799 1.00 4.37 C ATOM 980 OD1 ASP A 76 5.515 -15.502 -5.685 1.00 4.70 O ATOM 981 OD2 ASP A 76 6.317 -17.493 -5.215 1.00 4.93 O ATOM 0 H ASP A 76 6.780 -16.764 -9.022 1.00 2.55 H new ATOM 0 HA ASP A 76 6.620 -14.334 -7.409 1.00 3.28 H new ATOM 0 HB2 ASP A 76 7.917 -17.058 -7.134 1.00 3.70 H new ATOM 0 HB3 ASP A 76 8.400 -15.738 -6.088 1.00 3.70 H new ATOM 986 N GLU A 77 9.590 -15.285 -8.476 1.00 3.34 N ATOM 987 CA GLU A 77 10.879 -14.791 -8.950 1.00 4.10 C ATOM 988 C GLU A 77 10.737 -14.103 -10.304 1.00 4.12 C ATOM 989 O GLU A 77 10.762 -14.753 -11.349 1.00 4.72 O ATOM 990 CB GLU A 77 11.883 -15.942 -9.052 1.00 4.59 C ATOM 991 CG GLU A 77 12.698 -16.150 -7.786 1.00 5.37 C ATOM 992 CD GLU A 77 11.846 -16.573 -6.605 1.00 6.17 C ATOM 993 OE1 GLU A 77 10.870 -15.859 -6.292 1.00 6.39 O ATOM 994 OE2 GLU A 77 12.156 -17.617 -5.993 1.00 6.84 O ATOM 0 H GLU A 77 9.567 -16.287 -8.286 1.00 3.34 H new ATOM 0 HA GLU A 77 11.246 -14.060 -8.230 1.00 4.10 H new ATOM 0 HB2 GLU A 77 11.347 -16.862 -9.284 1.00 4.59 H new ATOM 0 HB3 GLU A 77 12.561 -15.750 -9.884 1.00 4.59 H new ATOM 0 HG2 GLU A 77 13.460 -16.908 -7.969 1.00 5.37 H new ATOM 0 HG3 GLU A 77 13.221 -15.226 -7.539 1.00 5.37 H new ATOM 1001 N VAL A 78 10.587 -12.783 -10.276 1.00 3.88 N ATOM 1002 CA VAL A 78 10.441 -12.003 -11.500 1.00 4.32 C ATOM 1003 C VAL A 78 11.373 -10.797 -11.504 1.00 4.59 C ATOM 1004 O VAL A 78 12.094 -10.552 -10.538 1.00 4.66 O ATOM 1005 CB VAL A 78 8.993 -11.515 -11.685 1.00 4.22 C ATOM 1006 CG1 VAL A 78 8.054 -12.693 -11.895 1.00 3.62 C ATOM 1007 CG2 VAL A 78 8.553 -10.679 -10.493 1.00 4.61 C ATOM 0 H VAL A 78 10.563 -12.231 -9.419 1.00 3.88 H new ATOM 0 HA VAL A 78 10.705 -12.664 -12.325 1.00 4.32 H new ATOM 0 HB VAL A 78 8.953 -10.886 -12.574 1.00 4.22 H new ATOM 0 HG11 VAL A 78 7.035 -12.328 -12.024 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.357 -13.245 -12.785 1.00 3.62 H new ATOM 0 HG13 VAL A 78 8.096 -13.351 -11.027 1.00 3.62 H new ATOM 0 HG21 VAL A 78 7.527 -10.343 -10.643 1.00 4.61 H new ATOM 0 HG22 VAL A 78 8.609 -11.281 -9.586 1.00 4.61 H new ATOM 0 HG23 VAL A 78 9.207 -9.813 -10.395 1.00 4.61 H new ATOM 1011 N GLU A 79 11.348 -10.044 -12.601 1.00 5.02 N ATOM 1012 CA GLU A 79 12.187 -8.859 -12.739 1.00 5.37 C ATOM 1013 C GLU A 79 11.490 -7.806 -13.596 1.00 4.83 C ATOM 1014 O GLU A 79 11.550 -7.855 -14.824 1.00 5.25 O ATOM 1015 CB GLU A 79 13.534 -9.231 -13.361 1.00 6.47 C ATOM 1016 CG GLU A 79 14.407 -10.086 -12.456 1.00 7.05 C ATOM 1017 CD GLU A 79 14.368 -11.556 -12.828 1.00 7.91 C ATOM 1018 OE1 GLU A 79 13.298 -12.030 -13.263 1.00 8.58 O ATOM 1019 OE2 GLU A 79 15.408 -12.232 -12.684 1.00 8.13 O ATOM 0 H GLU A 79 10.754 -10.235 -13.408 1.00 5.02 H new ATOM 0 HA GLU A 79 12.359 -8.443 -11.746 1.00 5.37 H new ATOM 0 HB2 GLU A 79 13.358 -9.767 -14.294 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.072 -8.318 -13.614 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.436 -9.729 -12.507 1.00 7.05 H new ATOM 0 HG3 GLU A 79 14.079 -9.967 -11.423 1.00 7.05 H new ATOM 1026 N LEU A 80 10.824 -6.859 -12.940 1.00 4.12 N ATOM 1027 CA LEU A 80 10.111 -5.800 -13.647 1.00 3.69 C ATOM 1028 C LEU A 80 9.500 -4.800 -12.666 1.00 3.19 C ATOM 1029 O LEU A 80 9.250 -5.131 -11.508 1.00 2.62 O ATOM 1030 CB LEU A 80 9.010 -6.406 -14.519 1.00 3.48 C ATOM 1031 CG LEU A 80 7.886 -7.099 -13.745 1.00 3.52 C ATOM 1032 CD1 LEU A 80 6.533 -6.787 -14.368 1.00 4.01 C ATOM 1033 CD2 LEU A 80 8.119 -8.601 -13.695 1.00 3.62 C ATOM 0 H LEU A 80 10.763 -6.804 -11.923 1.00 4.12 H new ATOM 0 HA LEU A 80 10.826 -5.270 -14.277 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.576 -5.616 -15.133 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.461 -7.127 -15.200 1.00 3.48 H new ATOM 0 HG LEU A 80 7.888 -6.717 -12.724 1.00 3.52 H new ATOM 0 HD11 LEU A 80 5.748 -7.289 -13.803 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.363 -5.711 -14.348 1.00 4.01 H new ATOM 0 HD13 LEU A 80 6.518 -7.138 -15.400 1.00 4.01 H new ATOM 0 HD21 LEU A 80 7.310 -9.076 -13.141 1.00 3.62 H new ATOM 0 HD22 LEU A 80 8.147 -8.999 -14.709 1.00 3.62 H new ATOM 0 HD23 LEU A 80 9.068 -8.806 -13.199 1.00 3.62 H new ATOM 1039 N PRO A 81 9.248 -3.559 -13.120 1.00 3.80 N ATOM 1040 CA PRO A 81 8.659 -2.514 -12.275 1.00 3.74 C ATOM 1041 C PRO A 81 7.222 -2.836 -11.879 1.00 2.98 C ATOM 1042 O PRO A 81 6.317 -2.801 -12.713 1.00 3.21 O ATOM 1043 CB PRO A 81 8.704 -1.265 -13.161 1.00 4.99 C ATOM 1044 CG PRO A 81 8.746 -1.787 -14.555 1.00 5.53 C ATOM 1045 CD PRO A 81 9.513 -3.078 -14.489 1.00 4.94 C ATOM 0 HA PRO A 81 9.197 -2.400 -11.334 1.00 3.74 H new ATOM 0 HB2 PRO A 81 7.829 -0.635 -13.001 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.580 -0.655 -12.941 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.740 -1.950 -14.941 1.00 5.53 H new ATOM 0 HG3 PRO A 81 9.233 -1.077 -15.223 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.169 -3.790 -15.239 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.578 -2.923 -14.662 1.00 4.94 H new ATOM 1053 N LEU A 82 7.019 -3.156 -10.605 1.00 2.52 N ATOM 1054 CA LEU A 82 5.691 -3.492 -10.102 1.00 1.87 C ATOM 1055 C LEU A 82 5.722 -3.744 -8.596 1.00 1.58 C ATOM 1056 O LEU A 82 6.757 -4.109 -8.038 1.00 2.06 O ATOM 1057 CB LEU A 82 5.138 -4.722 -10.843 1.00 1.92 C ATOM 1058 CG LEU A 82 5.503 -6.096 -10.256 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.958 -6.146 -9.811 1.00 2.25 C ATOM 1060 CD2 LEU A 82 4.577 -6.441 -9.098 1.00 2.10 C ATOM 0 H LEU A 82 7.757 -3.190 -9.902 1.00 2.52 H new ATOM 0 HA LEU A 82 5.031 -2.644 -10.287 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.051 -4.642 -10.874 1.00 1.92 H new ATOM 0 HB3 LEU A 82 5.490 -4.687 -11.874 1.00 1.92 H new ATOM 0 HG LEU A 82 5.374 -6.839 -11.043 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.180 -7.132 -9.402 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.607 -5.954 -10.666 1.00 2.25 H new ATOM 0 HD13 LEU A 82 7.131 -5.388 -9.047 1.00 2.25 H new ATOM 0 HD21 LEU A 82 4.848 -7.416 -8.693 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.672 -5.685 -8.318 1.00 2.10 H new ATOM 0 HD23 LEU A 82 3.546 -6.469 -9.452 1.00 2.10 H new ATOM 1066 N LEU A 83 4.582 -3.545 -7.946 1.00 1.15 N ATOM 1067 CA LEU A 83 4.480 -3.755 -6.506 1.00 1.18 C ATOM 1068 C LEU A 83 3.325 -4.695 -6.171 1.00 1.05 C ATOM 1069 O LEU A 83 3.462 -5.585 -5.332 1.00 1.39 O ATOM 1070 CB LEU A 83 4.303 -2.417 -5.789 1.00 1.20 C ATOM 1071 CG LEU A 83 5.611 -1.698 -5.448 1.00 2.03 C ATOM 1072 CD1 LEU A 83 5.785 -0.455 -6.310 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.655 -1.337 -3.970 1.00 2.48 C ATOM 0 H LEU A 83 3.717 -3.239 -8.391 1.00 1.15 H new ATOM 0 HA LEU A 83 5.404 -4.220 -6.162 1.00 1.18 H new ATOM 0 HB2 LEU A 83 3.696 -1.762 -6.414 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.745 -2.585 -4.868 1.00 1.20 H new ATOM 0 HG LEU A 83 6.437 -2.377 -5.660 1.00 2.03 H new ATOM 0 HD11 LEU A 83 6.721 0.040 -6.050 1.00 3.13 H new ATOM 0 HD12 LEU A 83 5.805 -0.741 -7.362 1.00 3.13 H new ATOM 0 HD13 LEU A 83 4.953 0.228 -6.136 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.592 -0.827 -3.748 1.00 2.48 H new ATOM 0 HD22 LEU A 83 4.819 -0.680 -3.731 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.585 -2.245 -3.371 1.00 2.48 H new ATOM 1079 N GLY A 84 2.190 -4.494 -6.834 1.00 0.86 N ATOM 1080 CA GLY A 84 1.030 -5.336 -6.591 1.00 1.17 C ATOM 1081 C GLY A 84 -0.094 -4.598 -5.888 1.00 1.02 C ATOM 1082 O GLY A 84 -0.009 -3.390 -5.667 1.00 0.95 O ATOM 0 H GLY A 84 2.052 -3.765 -7.534 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.664 -5.726 -7.541 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.329 -6.193 -5.988 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.152 -5.327 -5.536 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.298 -4.732 -4.855 1.00 0.88 C ATOM 1088 C ASP A 85 -2.194 -4.932 -3.345 1.00 0.82 C ATOM 1089 O ASP A 85 -1.446 -5.790 -2.872 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.602 -5.333 -5.392 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.813 -4.958 -4.557 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -4.960 -5.509 -3.445 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -5.614 -4.117 -5.015 1.00 2.17 O ATOM 0 H ASP A 85 -1.238 -6.328 -5.711 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.301 -3.660 -5.053 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.756 -4.997 -6.417 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -3.510 -6.419 -5.423 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.938 -4.126 -2.589 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.908 -4.212 -1.134 1.00 0.69 C ATOM 1100 C LEU A 86 -4.305 -4.153 -0.524 1.00 0.60 C ATOM 1101 O LEU A 86 -5.259 -3.691 -1.150 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.056 -3.080 -0.559 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.199 -3.468 0.645 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.157 -3.976 0.186 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.038 -2.284 1.590 1.00 1.10 C ATOM 0 H LEU A 86 -3.564 -3.411 -2.959 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.471 -5.177 -0.878 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.402 -2.701 -1.345 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.714 -2.261 -0.269 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.702 -4.270 1.186 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.756 -4.249 1.055 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.022 -4.851 -0.450 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.667 -3.194 -0.376 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.425 -2.579 2.442 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -0.555 -1.461 1.063 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.018 -1.964 1.942 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.396 -4.614 0.717 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.646 -4.617 1.466 1.00 0.59 C ATOM 1113 C VAL A 87 -5.365 -4.257 2.921 1.00 0.66 C ATOM 1114 O VAL A 87 -4.852 -5.076 3.683 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.345 -5.995 1.387 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.326 -6.185 2.535 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -7.049 -6.153 0.047 1.00 1.15 C ATOM 0 H VAL A 87 -3.604 -4.997 1.233 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.315 -3.878 1.025 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.581 -6.767 1.475 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -7.800 -7.163 2.450 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -6.793 -6.121 3.484 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.089 -5.407 2.494 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.537 -7.127 0.005 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.796 -5.368 -0.066 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -6.319 -6.078 -0.759 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.678 -3.021 3.292 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.429 -2.549 4.652 1.00 0.66 C ATOM 1123 C ILE A 88 -6.677 -2.618 5.524 1.00 0.74 C ATOM 1124 O ILE A 88 -7.791 -2.789 5.030 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.878 -1.097 4.681 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -4.811 -0.485 3.276 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -3.504 -1.070 5.329 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -3.806 -1.160 2.368 1.00 1.94 C ATOM 0 H ILE A 88 -6.103 -2.329 2.675 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.674 -3.223 5.057 1.00 0.66 H new ATOM 0 HB ILE A 88 -5.568 -0.495 5.272 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -5.798 -0.541 2.817 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -4.559 0.572 3.361 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.129 -0.047 5.343 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -3.576 -1.445 6.350 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -2.820 -1.699 4.759 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -3.814 -0.675 1.392 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.810 -1.081 2.805 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -4.069 -2.211 2.252 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.469 -2.479 6.832 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.558 -2.517 7.799 1.00 0.89 C ATOM 1134 C CYS A 89 -8.022 -1.104 8.141 1.00 0.78 C ATOM 1135 O CYS A 89 -7.212 -0.235 8.458 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.111 -3.248 9.066 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.459 -3.652 10.201 1.00 1.32 S ATOM 0 H CYS A 89 -5.548 -2.338 7.246 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.395 -3.057 7.357 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.603 -4.169 8.781 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -6.382 -2.631 9.590 1.00 1.12 H new ATOM 0 HG CYS A 89 -9.584 -3.228 9.707 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.329 -0.880 8.058 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.905 0.432 8.344 1.00 0.91 C ATOM 1145 C ARG A 90 -10.169 0.635 9.836 1.00 0.81 C ATOM 1146 O ARG A 90 -10.602 1.710 10.248 1.00 0.99 O ATOM 1147 CB ARG A 90 -11.206 0.612 7.560 1.00 1.14 C ATOM 1148 CG ARG A 90 -11.677 2.057 7.483 1.00 2.09 C ATOM 1149 CD ARG A 90 -12.879 2.313 8.384 1.00 2.56 C ATOM 1150 NE ARG A 90 -13.896 1.268 8.262 1.00 3.28 N ATOM 1151 CZ ARG A 90 -14.125 0.336 9.186 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -13.399 0.287 10.296 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -15.083 -0.561 8.994 1.00 5.12 N ATOM 0 H ARG A 90 -10.012 -1.590 7.795 1.00 0.91 H new ATOM 0 HA ARG A 90 -9.177 1.182 8.034 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -11.067 0.230 6.549 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -11.986 0.009 8.024 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -10.861 2.720 7.770 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -11.938 2.299 6.453 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -12.547 2.375 9.420 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -13.320 3.278 8.133 1.00 2.56 H new ATOM 0 HE ARG A 90 -14.466 1.252 7.416 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -12.655 0.968 10.450 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -13.585 -0.432 10.996 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -15.642 -0.536 8.141 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -15.261 -1.276 9.699 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.928 -0.394 10.643 1.00 0.66 N ATOM 1168 CA GLN A 91 -10.168 -0.297 12.080 1.00 0.63 C ATOM 1169 C GLN A 91 -8.865 -0.193 12.873 1.00 0.58 C ATOM 1170 O GLN A 91 -8.797 0.520 13.874 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.976 -1.505 12.562 1.00 0.69 C ATOM 1172 CG GLN A 91 -12.216 -1.130 13.356 1.00 0.83 C ATOM 1173 CD GLN A 91 -13.121 -2.319 13.618 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -12.793 -3.201 14.412 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -14.269 -2.348 12.950 1.00 1.12 N ATOM 0 H GLN A 91 -9.570 -1.297 10.331 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.736 0.617 12.255 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -11.274 -2.100 11.699 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -10.337 -2.136 13.179 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -11.915 -0.690 14.307 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -12.773 -0.366 12.814 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -14.501 -1.596 12.301 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -14.919 -3.123 13.086 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.839 -0.914 12.435 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.553 -0.907 13.126 1.00 0.60 C ATOM 1184 C VAL A 92 -5.694 0.292 12.731 1.00 0.55 C ATOM 1185 O VAL A 92 -5.341 1.119 13.576 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.762 -2.199 12.843 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -4.524 -2.272 13.724 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -6.646 -3.423 13.045 1.00 1.68 C ATOM 0 H VAL A 92 -7.871 -1.509 11.607 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.780 -0.840 14.190 1.00 0.60 H new ATOM 0 HB VAL A 92 -5.437 -2.184 11.803 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -3.979 -3.191 13.510 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -3.883 -1.414 13.522 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.822 -2.263 14.772 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -6.070 -4.326 12.841 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -7.005 -3.447 14.074 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -7.497 -3.374 12.365 1.00 1.68 H new ATOM 1192 N VAL A 93 -5.354 0.382 11.450 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.528 1.481 10.964 1.00 0.49 C ATOM 1194 C VAL A 93 -5.255 2.810 11.125 1.00 0.54 C ATOM 1195 O VAL A 93 -4.634 3.842 11.386 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.094 1.276 9.492 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.632 -0.156 9.271 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.213 1.631 8.522 1.00 0.69 C ATOM 0 H VAL A 93 -5.635 -0.288 10.734 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.623 1.497 11.571 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.261 1.951 9.295 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.330 -0.285 8.232 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.786 -0.370 9.924 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.449 -0.841 9.499 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.871 1.474 7.499 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.078 0.997 8.717 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.492 2.676 8.655 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.577 2.771 10.999 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.389 3.966 11.161 1.00 0.69 C ATOM 1204 C GLU A 94 -7.371 4.394 12.620 1.00 0.67 C ATOM 1205 O GLU A 94 -7.371 5.585 12.935 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.825 3.709 10.702 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.550 4.963 10.238 1.00 1.31 C ATOM 1208 CD GLU A 94 -11.057 4.817 10.290 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -11.621 4.863 11.404 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -11.675 4.656 9.217 1.00 2.25 O ATOM 0 H GLU A 94 -7.106 1.925 10.786 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.974 4.763 10.544 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.813 2.984 9.888 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.384 3.258 11.522 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.248 5.804 10.862 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.246 5.197 9.218 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.332 3.403 13.510 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.287 3.667 14.941 1.00 0.61 C ATOM 1219 C ARG A 95 -5.924 4.229 15.317 1.00 0.70 C ATOM 1220 O ARG A 95 -5.825 5.200 16.066 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.564 2.388 15.735 1.00 0.60 C ATOM 1222 CG ARG A 95 -9.014 2.240 16.167 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.178 1.128 17.190 1.00 1.58 C ATOM 1224 NE ARG A 95 -9.239 -0.190 16.561 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.039 -1.333 17.214 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -8.765 -1.324 18.513 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.113 -2.488 16.567 1.00 3.75 N ATOM 0 H ARG A 95 -7.331 2.413 13.263 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.058 4.397 15.186 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -7.285 1.526 15.128 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.927 2.375 16.620 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -9.367 3.180 16.590 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -9.635 2.030 15.296 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -8.345 1.156 17.893 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -10.087 1.297 17.767 1.00 1.58 H new ATOM 0 HE ARG A 95 -9.447 -0.237 15.564 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -8.707 -0.438 19.016 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -8.613 -2.203 19.008 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -9.323 -2.501 15.569 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -8.960 -3.364 17.067 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.875 3.619 14.774 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.515 4.067 15.037 1.00 0.86 C ATOM 1243 C GLU A 96 -3.304 5.466 14.468 1.00 0.90 C ATOM 1244 O GLU A 96 -2.739 6.338 15.126 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.504 3.091 14.428 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.791 2.233 15.461 1.00 1.34 C ATOM 1247 CD GLU A 96 -2.409 0.856 15.601 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -2.080 -0.029 14.783 1.00 1.89 O ATOM 1249 OE2 GLU A 96 -3.222 0.662 16.529 1.00 2.50 O ATOM 0 H GLU A 96 -4.942 2.815 14.150 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.361 4.098 16.116 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -3.019 2.441 13.721 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.763 3.655 13.861 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -0.743 2.130 15.181 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.815 2.738 16.427 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.777 5.673 13.242 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.653 6.966 12.582 1.00 0.92 C ATOM 1258 C ALA A 97 -4.567 8.000 13.231 1.00 1.00 C ATOM 1259 O ALA A 97 -4.301 9.200 13.178 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.971 6.833 11.101 1.00 0.87 C ATOM 0 H ALA A 97 -4.250 4.960 12.686 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.624 7.308 12.692 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.875 7.806 10.619 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.276 6.130 10.641 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.991 6.467 10.979 1.00 0.87 H new ATOM 1266 N SER A 98 -5.647 7.526 13.843 1.00 0.92 N ATOM 1267 CA SER A 98 -6.598 8.411 14.505 1.00 1.01 C ATOM 1268 C SER A 98 -6.116 8.772 15.907 1.00 1.07 C ATOM 1269 O SER A 98 -6.356 9.878 16.392 1.00 1.18 O ATOM 1270 CB SER A 98 -7.978 7.753 14.577 1.00 0.99 C ATOM 1271 OG SER A 98 -8.802 8.397 15.533 1.00 1.50 O ATOM 0 H SER A 98 -5.885 6.536 13.894 1.00 0.92 H new ATOM 0 HA SER A 98 -6.674 9.327 13.919 1.00 1.01 H new ATOM 0 HB2 SER A 98 -8.454 7.792 13.597 1.00 0.99 H new ATOM 0 HB3 SER A 98 -7.869 6.700 14.837 1.00 0.99 H new ATOM 0 HG SER A 98 -9.678 7.958 15.558 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.437 7.829 16.555 1.00 1.04 N ATOM 1278 CA GLU A 99 -4.924 8.044 17.904 1.00 1.13 C ATOM 1279 C GLU A 99 -3.561 8.731 17.874 1.00 1.27 C ATOM 1280 O GLU A 99 -3.239 9.526 18.758 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.820 6.711 18.651 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.947 6.482 19.644 1.00 1.76 C ATOM 1283 CD GLU A 99 -5.531 5.601 20.806 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -4.659 6.027 21.592 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -6.075 4.483 20.929 1.00 2.68 O ATOM 0 H GLU A 99 -5.230 6.909 16.167 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.623 8.696 18.428 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -4.814 5.897 17.926 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -3.868 6.673 19.180 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -6.290 7.443 20.026 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -6.792 6.024 19.130 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.760 8.416 16.860 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.429 9.003 16.726 1.00 1.37 C ATOM 1294 C GLN A 100 -1.490 10.528 16.775 1.00 1.48 C ATOM 1295 O GLN A 100 -0.543 11.183 17.210 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.769 8.540 15.423 1.00 1.33 C ATOM 1297 CG GLN A 100 -1.365 9.165 14.172 1.00 1.96 C ATOM 1298 CD GLN A 100 -0.535 8.898 12.932 1.00 2.38 C ATOM 1299 OE1 GLN A 100 -0.274 9.801 12.138 1.00 3.19 O ATOM 1300 NE2 GLN A 100 -0.116 7.649 12.761 1.00 2.35 N ATOM 0 H GLN A 100 -3.008 7.759 16.120 1.00 1.22 H new ATOM 0 HA GLN A 100 -0.826 8.662 17.568 1.00 1.37 H new ATOM 0 HB2 GLN A 100 0.295 8.775 15.463 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.853 7.456 15.350 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -2.372 8.776 14.021 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -1.458 10.241 14.317 1.00 1.96 H new ATOM 0 HE21 GLN A 100 -0.357 6.932 13.446 1.00 2.35 H new ATOM 0 HE22 GLN A 100 0.446 7.407 11.945 1.00 2.35 H new ATOM 1307 N GLU A 101 -2.609 11.088 16.324 1.00 1.44 N ATOM 1308 CA GLU A 101 -2.792 12.535 16.316 1.00 1.59 C ATOM 1309 C GLU A 101 -1.803 13.199 15.362 1.00 1.58 C ATOM 1310 O GLU A 101 -1.103 14.142 15.730 1.00 1.81 O ATOM 1311 CB GLU A 101 -2.624 13.102 17.727 1.00 1.80 C ATOM 1312 CG GLU A 101 -3.508 12.427 18.764 1.00 2.02 C ATOM 1313 CD GLU A 101 -4.100 13.411 19.755 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -3.320 14.087 20.457 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -5.343 13.502 19.829 1.00 2.68 O ATOM 0 H GLU A 101 -3.403 10.561 15.959 1.00 1.44 H new ATOM 0 HA GLU A 101 -3.803 12.748 15.970 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -1.582 13.000 18.029 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -2.848 14.169 17.710 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -4.315 11.896 18.258 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -2.924 11.681 19.303 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.753 12.693 14.133 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.851 13.230 13.120 1.00 1.36 C ATOM 1324 C LYS A 102 -1.476 13.126 11.731 1.00 1.24 C ATOM 1325 O LYS A 102 -2.461 12.412 11.537 1.00 1.16 O ATOM 1326 CB LYS A 102 0.483 12.481 13.150 1.00 1.37 C ATOM 1327 CG LYS A 102 1.559 13.185 13.964 1.00 1.77 C ATOM 1328 CD LYS A 102 2.061 12.314 15.106 1.00 2.28 C ATOM 1329 CE LYS A 102 2.169 13.101 16.402 1.00 2.19 C ATOM 1330 NZ LYS A 102 3.561 13.560 16.660 1.00 2.36 N ATOM 0 H LYS A 102 -2.327 11.912 13.815 1.00 1.36 H new ATOM 0 HA LYS A 102 -0.674 14.282 13.343 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.322 11.485 13.562 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.840 12.350 12.128 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.393 13.449 13.314 1.00 1.77 H new ATOM 0 HG3 LYS A 102 1.161 14.117 14.365 1.00 1.77 H new ATOM 0 HD2 LYS A 102 1.384 11.471 15.246 1.00 2.28 H new ATOM 0 HD3 LYS A 102 3.036 11.901 14.848 1.00 2.28 H new ATOM 0 HE2 LYS A 102 1.505 13.964 16.359 1.00 2.19 H new ATOM 0 HE3 LYS A 102 1.832 12.481 17.232 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 3.591 14.092 17.553 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 4.192 12.736 16.727 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 3.874 14.173 15.881 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.909 13.836 10.740 1.00 1.27 N ATOM 1345 CA PRO A 103 -1.416 13.814 9.364 1.00 1.21 C ATOM 1346 C PRO A 103 -1.417 12.408 8.774 1.00 1.01 C ATOM 1347 O PRO A 103 -0.395 11.723 8.773 1.00 0.97 O ATOM 1348 CB PRO A 103 -0.443 14.719 8.596 1.00 1.28 C ATOM 1349 CG PRO A 103 0.765 14.823 9.465 1.00 1.36 C ATOM 1350 CD PRO A 103 0.268 14.709 10.877 1.00 1.42 C ATOM 0 HA PRO A 103 -2.452 14.150 9.310 1.00 1.21 H new ATOM 0 HB2 PRO A 103 -0.193 14.293 7.624 1.00 1.28 H new ATOM 0 HB3 PRO A 103 -0.881 15.700 8.411 1.00 1.28 H new ATOM 0 HG2 PRO A 103 1.479 14.032 9.237 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.279 15.771 9.307 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.019 14.274 11.536 1.00 1.42 H new ATOM 0 HD3 PRO A 103 0.004 15.682 11.292 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.573 11.984 8.273 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.711 10.659 7.679 1.00 0.93 C ATOM 1360 C LEU A 104 -1.889 10.535 6.396 1.00 0.85 C ATOM 1361 O LEU A 104 -1.678 9.434 5.892 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.183 10.364 7.383 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.968 9.760 8.548 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.419 10.215 8.507 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.883 8.242 8.515 1.00 1.51 C ATOM 0 H LEU A 104 -3.428 12.539 8.267 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.333 9.931 8.397 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.670 11.291 7.078 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.238 9.681 6.535 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.525 10.110 9.481 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.962 9.775 9.344 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.462 11.302 8.578 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.875 9.894 7.570 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.447 7.828 9.351 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -5.301 7.874 7.578 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.840 7.934 8.593 1.00 1.51 H new ATOM 1371 N MET A 105 -1.430 11.670 5.871 1.00 0.98 N ATOM 1372 CA MET A 105 -0.636 11.686 4.645 1.00 0.99 C ATOM 1373 C MET A 105 0.450 10.610 4.671 1.00 0.76 C ATOM 1374 O MET A 105 0.521 9.763 3.780 1.00 0.81 O ATOM 1375 CB MET A 105 -0.001 13.066 4.449 1.00 1.22 C ATOM 1376 CG MET A 105 -1.013 14.198 4.364 1.00 1.08 C ATOM 1377 SD MET A 105 -1.932 14.193 2.813 1.00 1.56 S ATOM 1378 CE MET A 105 -3.191 12.971 3.171 1.00 1.27 C ATOM 0 H MET A 105 -1.595 12.591 6.277 1.00 0.98 H new ATOM 0 HA MET A 105 -1.303 11.472 3.810 1.00 0.99 H new ATOM 0 HB2 MET A 105 0.682 13.262 5.275 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.596 13.055 3.537 1.00 1.22 H new ATOM 0 HG2 MET A 105 -1.712 14.118 5.196 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.496 15.151 4.472 1.00 1.08 H new ATOM 0 HE1 MET A 105 -2.994 12.066 2.596 1.00 1.27 H new ATOM 0 HE2 MET A 105 -3.177 12.735 4.235 1.00 1.27 H new ATOM 0 HE3 MET A 105 -4.170 13.367 2.900 1.00 1.27 H new ATOM 1388 N ALA A 106 1.292 10.649 5.698 1.00 0.70 N ATOM 1389 CA ALA A 106 2.370 9.678 5.839 1.00 0.63 C ATOM 1390 C ALA A 106 1.822 8.290 6.150 1.00 0.54 C ATOM 1391 O ALA A 106 2.381 7.276 5.721 1.00 0.61 O ATOM 1392 CB ALA A 106 3.338 10.120 6.926 1.00 0.84 C ATOM 0 H ALA A 106 1.249 11.343 6.445 1.00 0.70 H new ATOM 0 HA ALA A 106 2.904 9.625 4.890 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.138 9.386 7.021 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.763 11.088 6.663 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.807 10.203 7.874 1.00 0.84 H new ATOM 1398 N HIS A 107 0.723 8.249 6.899 1.00 0.53 N ATOM 1399 CA HIS A 107 0.095 6.987 7.273 1.00 0.60 C ATOM 1400 C HIS A 107 -0.100 6.089 6.056 1.00 0.55 C ATOM 1401 O HIS A 107 0.355 4.948 6.037 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.252 7.242 7.952 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.875 6.006 8.522 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -1.236 5.190 9.431 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -3.089 5.444 8.305 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -2.028 4.182 9.748 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -3.158 4.313 9.080 1.00 2.34 N ATOM 0 H HIS A 107 0.249 9.077 7.259 1.00 0.53 H new ATOM 0 HA HIS A 107 0.758 6.479 7.973 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -1.116 7.972 8.750 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.937 7.685 7.229 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -0.298 5.341 9.801 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -3.859 5.817 7.645 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -1.791 3.385 10.437 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.773 6.615 5.038 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.016 5.858 3.816 1.00 0.46 C ATOM 1418 C TRP A 108 0.303 5.424 3.187 1.00 0.43 C ATOM 1419 O TRP A 108 0.518 4.240 2.914 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.810 6.700 2.815 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.223 6.966 3.236 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.641 7.522 4.411 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.406 6.689 2.480 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.011 7.612 4.428 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.504 7.108 3.255 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.644 6.130 1.222 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.818 6.985 2.812 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.949 6.008 0.784 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -7.021 6.435 1.576 1.00 2.00 C ATOM 0 H TRP A 108 -1.159 7.559 5.035 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.595 4.972 4.074 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.299 7.652 2.669 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.817 6.191 1.851 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -2.989 7.844 5.210 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.571 7.993 5.191 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.823 5.799 0.603 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.647 7.312 3.422 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -6.145 5.576 -0.186 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -8.029 6.328 1.204 1.00 2.00 H new ATOM 1440 N ALA A 109 1.184 6.397 2.964 1.00 0.47 N ATOM 1441 CA ALA A 109 2.491 6.135 2.370 1.00 0.51 C ATOM 1442 C ALA A 109 3.189 4.967 3.062 1.00 0.49 C ATOM 1443 O ALA A 109 3.802 4.124 2.408 1.00 0.64 O ATOM 1444 CB ALA A 109 3.354 7.385 2.439 1.00 0.62 C ATOM 0 H ALA A 109 1.014 7.378 3.187 1.00 0.47 H new ATOM 0 HA ALA A 109 2.342 5.862 1.325 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.327 7.180 1.993 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.868 8.193 1.893 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.486 7.679 3.480 1.00 0.62 H new ATOM 1450 N HIS A 110 3.093 4.926 4.388 1.00 0.44 N ATOM 1451 CA HIS A 110 3.717 3.861 5.169 1.00 0.53 C ATOM 1452 C HIS A 110 2.853 2.601 5.175 1.00 0.60 C ATOM 1453 O HIS A 110 3.353 1.496 4.958 1.00 0.86 O ATOM 1454 CB HIS A 110 3.958 4.331 6.605 1.00 0.57 C ATOM 1455 CG HIS A 110 4.984 3.521 7.336 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.047 2.907 6.709 1.00 1.58 N ATOM 1457 CD2 HIS A 110 5.104 3.226 8.653 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.776 2.270 7.609 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.227 2.449 8.795 1.00 2.16 N ATOM 0 H HIS A 110 2.590 5.617 4.944 1.00 0.44 H new ATOM 0 HA HIS A 110 4.672 3.619 4.703 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.274 5.374 6.589 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.017 4.292 7.154 1.00 0.57 H new ATOM 0 HD2 HIS A 110 4.440 3.543 9.444 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.670 1.699 7.407 1.00 1.93 H new ATOM 0 HE2 HIS A 110 6.579 2.072 9.675 1.00 2.16 H new ATOM 1468 N MET A 111 1.558 2.765 5.429 1.00 0.50 N ATOM 1469 CA MET A 111 0.639 1.632 5.464 1.00 0.59 C ATOM 1470 C MET A 111 0.740 0.804 4.188 1.00 0.59 C ATOM 1471 O MET A 111 0.675 -0.425 4.228 1.00 0.78 O ATOM 1472 CB MET A 111 -0.799 2.117 5.664 1.00 0.63 C ATOM 1473 CG MET A 111 -1.114 2.535 7.095 1.00 1.24 C ATOM 1474 SD MET A 111 -0.696 1.268 8.310 1.00 2.04 S ATOM 1475 CE MET A 111 -1.145 -0.220 7.419 1.00 1.59 C ATOM 0 H MET A 111 1.122 3.669 5.613 1.00 0.50 H new ATOM 0 HA MET A 111 0.919 0.998 6.305 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.983 2.961 5.000 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.485 1.323 5.368 1.00 0.63 H new ATOM 0 HG2 MET A 111 -0.568 3.449 7.329 1.00 1.24 H new ATOM 0 HG3 MET A 111 -2.176 2.769 7.174 1.00 1.24 H new ATOM 0 HE1 MET A 111 -1.200 -1.058 8.114 1.00 1.59 H new ATOM 0 HE2 MET A 111 -2.115 -0.080 6.942 1.00 1.59 H new ATOM 0 HE3 MET A 111 -0.393 -0.429 6.658 1.00 1.59 H new ATOM 1485 N VAL A 112 0.906 1.480 3.055 1.00 0.51 N ATOM 1486 CA VAL A 112 1.022 0.794 1.774 1.00 0.58 C ATOM 1487 C VAL A 112 2.327 0.008 1.694 1.00 0.64 C ATOM 1488 O VAL A 112 2.325 -1.204 1.470 1.00 0.78 O ATOM 1489 CB VAL A 112 0.960 1.787 0.598 1.00 0.59 C ATOM 1490 CG1 VAL A 112 0.908 1.043 -0.728 1.00 1.46 C ATOM 1491 CG2 VAL A 112 -0.237 2.717 0.744 1.00 1.42 C ATOM 0 H VAL A 112 0.963 2.497 2.998 1.00 0.51 H new ATOM 0 HA VAL A 112 0.179 0.107 1.702 1.00 0.58 H new ATOM 0 HB VAL A 112 1.865 2.394 0.612 1.00 0.59 H new ATOM 0 HG11 VAL A 112 0.865 1.761 -1.547 1.00 1.46 H new ATOM 0 HG12 VAL A 112 1.800 0.425 -0.834 1.00 1.46 H new ATOM 0 HG13 VAL A 112 0.022 0.408 -0.755 1.00 1.46 H new ATOM 0 HG21 VAL A 112 -0.263 3.411 -0.096 1.00 1.42 H new ATOM 0 HG22 VAL A 112 -1.155 2.129 0.758 1.00 1.42 H new ATOM 0 HG23 VAL A 112 -0.151 3.278 1.675 1.00 1.42 H new ATOM 1495 N VAL A 113 3.441 0.710 1.881 1.00 0.61 N ATOM 1496 CA VAL A 113 4.761 0.089 1.834 1.00 0.72 C ATOM 1497 C VAL A 113 4.866 -1.071 2.819 1.00 0.82 C ATOM 1498 O VAL A 113 5.428 -2.118 2.502 1.00 1.03 O ATOM 1499 CB VAL A 113 5.869 1.111 2.150 1.00 0.73 C ATOM 1500 CG1 VAL A 113 6.036 2.098 1.006 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.568 1.834 3.448 1.00 0.63 C ATOM 0 H VAL A 113 3.456 1.713 2.067 1.00 0.61 H new ATOM 0 HA VAL A 113 4.894 -0.288 0.820 1.00 0.72 H new ATOM 0 HB VAL A 113 6.809 0.573 2.268 1.00 0.73 H new ATOM 0 HG11 VAL A 113 6.824 2.810 1.252 1.00 0.97 H new ATOM 0 HG12 VAL A 113 6.304 1.559 0.097 1.00 0.97 H new ATOM 0 HG13 VAL A 113 5.100 2.633 0.848 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.361 2.552 3.657 1.00 0.63 H new ATOM 0 HG22 VAL A 113 4.617 2.359 3.360 1.00 0.63 H new ATOM 0 HG23 VAL A 113 5.510 1.111 4.262 1.00 0.63 H new ATOM 1505 N HIS A 114 4.327 -0.873 4.018 1.00 0.75 N ATOM 1506 CA HIS A 114 4.366 -1.902 5.052 1.00 0.85 C ATOM 1507 C HIS A 114 3.572 -3.134 4.624 1.00 0.96 C ATOM 1508 O HIS A 114 4.107 -4.241 4.561 1.00 1.08 O ATOM 1509 CB HIS A 114 3.830 -1.334 6.379 1.00 0.89 C ATOM 1510 CG HIS A 114 2.761 -2.163 7.027 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.415 -1.981 6.783 1.00 1.39 N ATOM 1512 CD2 HIS A 114 2.845 -3.188 7.909 1.00 1.57 C ATOM 1513 CE1 HIS A 114 0.719 -2.857 7.487 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.563 -3.600 8.178 1.00 1.36 N ATOM 0 H HIS A 114 3.859 -0.011 4.298 1.00 0.75 H new ATOM 0 HA HIS A 114 5.401 -2.211 5.199 1.00 0.85 H new ATOM 0 HB2 HIS A 114 4.661 -1.228 7.076 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.436 -0.334 6.198 1.00 0.89 H new ATOM 0 HD2 HIS A 114 3.752 -3.604 8.323 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.357 -2.949 7.495 1.00 1.30 H new ATOM 0 HE2 HIS A 114 1.305 -4.358 8.810 1.00 1.36 H new ATOM 1523 N GLY A 115 2.292 -2.932 4.342 1.00 1.03 N ATOM 1524 CA GLY A 115 1.438 -4.030 3.932 1.00 1.18 C ATOM 1525 C GLY A 115 1.879 -4.670 2.630 1.00 1.20 C ATOM 1526 O GLY A 115 1.553 -5.826 2.360 1.00 1.36 O ATOM 0 H GLY A 115 1.828 -2.025 4.390 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.427 -4.787 4.717 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.416 -3.667 3.824 1.00 1.18 H new ATOM 1530 N SER A 116 2.614 -3.920 1.814 1.00 1.17 N ATOM 1531 CA SER A 116 3.087 -4.431 0.531 1.00 1.26 C ATOM 1532 C SER A 116 4.408 -5.178 0.686 1.00 1.36 C ATOM 1533 O SER A 116 4.706 -6.090 -0.084 1.00 1.63 O ATOM 1534 CB SER A 116 3.246 -3.285 -0.472 1.00 1.31 C ATOM 1535 OG SER A 116 4.089 -3.657 -1.548 1.00 1.72 O ATOM 0 H SER A 116 2.894 -2.960 2.017 1.00 1.17 H new ATOM 0 HA SER A 116 2.342 -5.133 0.156 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.268 -2.997 -0.856 1.00 1.31 H new ATOM 0 HB3 SER A 116 3.660 -2.412 0.032 1.00 1.31 H new ATOM 0 HG SER A 116 4.841 -3.031 -1.606 1.00 1.72 H new ATOM 1541 N LEU A 117 5.198 -4.784 1.679 1.00 1.28 N ATOM 1542 CA LEU A 117 6.488 -5.420 1.923 1.00 1.49 C ATOM 1543 C LEU A 117 6.339 -6.682 2.765 1.00 1.69 C ATOM 1544 O LEU A 117 7.123 -7.621 2.639 1.00 1.94 O ATOM 1545 CB LEU A 117 7.436 -4.444 2.622 1.00 1.49 C ATOM 1546 CG LEU A 117 8.815 -5.012 2.954 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.881 -3.934 2.833 1.00 2.07 C ATOM 1548 CD2 LEU A 117 8.818 -5.615 4.350 1.00 2.38 C ATOM 0 H LEU A 117 4.969 -4.030 2.326 1.00 1.28 H new ATOM 0 HA LEU A 117 6.904 -5.703 0.956 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.564 -3.567 1.987 1.00 1.49 H new ATOM 0 HB3 LEU A 117 6.967 -4.104 3.545 1.00 1.49 H new ATOM 0 HG LEU A 117 9.045 -5.801 2.238 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.856 -4.358 3.073 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.894 -3.548 1.814 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.658 -3.122 3.525 1.00 2.07 H new ATOM 0 HD21 LEU A 117 9.807 -6.015 4.571 1.00 2.38 H new ATOM 0 HD22 LEU A 117 8.567 -4.845 5.079 1.00 2.38 H new ATOM 0 HD23 LEU A 117 8.082 -6.418 4.401 1.00 2.38 H new ATOM 1554 N HIS A 118 5.336 -6.691 3.634 1.00 1.70 N ATOM 1555 CA HIS A 118 5.092 -7.833 4.507 1.00 2.04 C ATOM 1556 C HIS A 118 4.689 -9.071 3.711 1.00 2.25 C ATOM 1557 O HIS A 118 5.078 -10.189 4.051 1.00 2.60 O ATOM 1558 CB HIS A 118 4.003 -7.493 5.526 1.00 2.10 C ATOM 1559 CG HIS A 118 4.011 -8.380 6.731 1.00 2.30 C ATOM 1560 ND1 HIS A 118 4.965 -8.296 7.722 1.00 2.63 N ATOM 1561 CD2 HIS A 118 3.171 -9.374 7.105 1.00 2.93 C ATOM 1562 CE1 HIS A 118 4.713 -9.200 8.653 1.00 3.13 C ATOM 1563 NE2 HIS A 118 3.629 -9.867 8.302 1.00 3.28 N ATOM 0 H HIS A 118 4.678 -5.921 3.753 1.00 1.70 H new ATOM 0 HA HIS A 118 6.022 -8.056 5.029 1.00 2.04 H new ATOM 0 HB2 HIS A 118 4.127 -6.458 5.846 1.00 2.10 H new ATOM 0 HB3 HIS A 118 3.029 -7.562 5.041 1.00 2.10 H new ATOM 0 HD2 HIS A 118 2.302 -9.716 6.562 1.00 2.93 H new ATOM 0 HE1 HIS A 118 5.295 -9.365 9.548 1.00 3.13 H new ATOM 0 HE2 HIS A 118 3.201 -10.625 8.834 1.00 3.28 H new ATOM 1572 N LEU A 119 3.899 -8.872 2.661 1.00 2.15 N ATOM 1573 CA LEU A 119 3.437 -9.984 1.836 1.00 2.45 C ATOM 1574 C LEU A 119 4.265 -10.140 0.560 1.00 2.53 C ATOM 1575 O LEU A 119 4.241 -11.197 -0.071 1.00 2.98 O ATOM 1576 CB LEU A 119 1.958 -9.806 1.482 1.00 2.52 C ATOM 1577 CG LEU A 119 0.982 -10.632 2.329 1.00 2.47 C ATOM 1578 CD1 LEU A 119 0.305 -9.754 3.371 1.00 3.30 C ATOM 1579 CD2 LEU A 119 -0.057 -11.312 1.447 1.00 2.27 C ATOM 0 H LEU A 119 3.566 -7.956 2.362 1.00 2.15 H new ATOM 0 HA LEU A 119 3.564 -10.894 2.423 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.700 -8.752 1.584 1.00 2.52 H new ATOM 0 HB3 LEU A 119 1.817 -10.069 0.434 1.00 2.52 H new ATOM 0 HG LEU A 119 1.550 -11.406 2.845 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -0.384 -10.357 3.963 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.060 -9.318 4.026 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -0.247 -8.957 2.872 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.739 -11.892 2.069 1.00 2.27 H new ATOM 0 HD22 LEU A 119 -0.620 -10.556 0.899 1.00 2.27 H new ATOM 0 HD23 LEU A 119 0.443 -11.975 0.741 1.00 2.27 H new ATOM 1585 N LEU A 120 4.985 -9.090 0.167 1.00 2.25 N ATOM 1586 CA LEU A 120 5.791 -9.149 -1.050 1.00 2.47 C ATOM 1587 C LEU A 120 7.287 -9.090 -0.746 1.00 2.57 C ATOM 1588 O LEU A 120 8.068 -9.866 -1.299 1.00 3.07 O ATOM 1589 CB LEU A 120 5.378 -8.025 -2.018 1.00 2.62 C ATOM 1590 CG LEU A 120 6.336 -6.831 -2.125 1.00 2.70 C ATOM 1591 CD1 LEU A 120 7.540 -7.182 -2.987 1.00 3.20 C ATOM 1592 CD2 LEU A 120 5.609 -5.623 -2.694 1.00 2.88 C ATOM 0 H LEU A 120 5.027 -8.201 0.665 1.00 2.25 H new ATOM 0 HA LEU A 120 5.602 -10.110 -1.529 1.00 2.47 H new ATOM 0 HB2 LEU A 120 5.258 -8.457 -3.012 1.00 2.62 H new ATOM 0 HB3 LEU A 120 4.400 -7.652 -1.712 1.00 2.62 H new ATOM 0 HG LEU A 120 6.693 -6.585 -1.125 1.00 2.70 H new ATOM 0 HD11 LEU A 120 8.206 -6.321 -3.049 1.00 3.20 H new ATOM 0 HD12 LEU A 120 8.073 -8.022 -2.542 1.00 3.20 H new ATOM 0 HD13 LEU A 120 7.204 -7.454 -3.988 1.00 3.20 H new ATOM 0 HD21 LEU A 120 6.300 -4.783 -2.765 1.00 2.88 H new ATOM 0 HD22 LEU A 120 5.226 -5.863 -3.686 1.00 2.88 H new ATOM 0 HD23 LEU A 120 4.779 -5.356 -2.040 1.00 2.88 H new ATOM 1598 N GLY A 121 7.689 -8.170 0.126 1.00 2.56 N ATOM 1599 CA GLY A 121 9.098 -8.049 0.458 1.00 3.27 C ATOM 1600 C GLY A 121 9.844 -7.152 -0.512 1.00 3.49 C ATOM 1601 O GLY A 121 10.647 -7.632 -1.307 1.00 4.12 O ATOM 0 H GLY A 121 7.073 -7.513 0.604 1.00 2.56 H new ATOM 0 HA2 GLY A 121 9.198 -7.651 1.468 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.555 -9.039 0.459 1.00 3.27 H new ATOM 1605 N TYR A 122 9.559 -5.849 -0.453 1.00 3.41 N ATOM 1606 CA TYR A 122 10.187 -4.850 -1.333 1.00 4.05 C ATOM 1607 C TYR A 122 11.624 -5.222 -1.723 1.00 4.04 C ATOM 1608 O TYR A 122 12.067 -4.931 -2.833 1.00 4.29 O ATOM 1609 CB TYR A 122 10.200 -3.479 -0.648 1.00 4.92 C ATOM 1610 CG TYR A 122 8.935 -2.666 -0.841 1.00 4.99 C ATOM 1611 CD1 TYR A 122 7.710 -3.130 -0.382 1.00 5.29 C ATOM 1612 CD2 TYR A 122 8.972 -1.425 -1.468 1.00 5.07 C ATOM 1613 CE1 TYR A 122 6.558 -2.385 -0.542 1.00 5.72 C ATOM 1614 CE2 TYR A 122 7.823 -0.676 -1.633 1.00 5.49 C ATOM 1615 CZ TYR A 122 6.620 -1.159 -1.169 1.00 5.83 C ATOM 1616 OH TYR A 122 5.473 -0.415 -1.330 1.00 6.50 O ATOM 0 H TYR A 122 8.887 -5.453 0.204 1.00 3.41 H new ATOM 0 HA TYR A 122 9.590 -4.819 -2.244 1.00 4.05 H new ATOM 0 HB2 TYR A 122 10.365 -3.622 0.420 1.00 4.92 H new ATOM 0 HB3 TYR A 122 11.046 -2.906 -1.027 1.00 4.92 H new ATOM 0 HD1 TYR A 122 7.657 -4.091 0.109 1.00 5.29 H new ATOM 0 HD2 TYR A 122 9.914 -1.041 -1.832 1.00 5.07 H new ATOM 0 HE1 TYR A 122 5.613 -2.761 -0.178 1.00 5.72 H new ATOM 0 HE2 TYR A 122 7.868 0.285 -2.124 1.00 5.49 H new ATOM 0 HH TYR A 122 5.689 0.423 -1.789 1.00 6.50 H new ATOM 1626 N ASP A 123 12.351 -5.843 -0.797 1.00 4.20 N ATOM 1627 CA ASP A 123 13.743 -6.228 -1.039 1.00 4.65 C ATOM 1628 C ASP A 123 13.876 -7.390 -2.031 1.00 4.02 C ATOM 1629 O ASP A 123 14.988 -7.838 -2.314 1.00 4.67 O ATOM 1630 CB ASP A 123 14.418 -6.603 0.282 1.00 5.43 C ATOM 1631 CG ASP A 123 14.970 -5.396 1.013 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.160 -4.344 0.366 1.00 6.82 O ATOM 1633 OD2 ASP A 123 15.215 -5.500 2.234 1.00 6.57 O ATOM 0 H ASP A 123 12.001 -6.091 0.128 1.00 4.20 H new ATOM 0 HA ASP A 123 14.236 -5.364 -1.485 1.00 4.65 H new ATOM 0 HB2 ASP A 123 13.699 -7.114 0.922 1.00 5.43 H new ATOM 0 HB3 ASP A 123 15.227 -7.307 0.086 1.00 5.43 H new ATOM 1638 N HIS A 124 12.757 -7.879 -2.560 1.00 2.97 N ATOM 1639 CA HIS A 124 12.789 -8.986 -3.513 1.00 2.45 C ATOM 1640 C HIS A 124 13.643 -8.631 -4.726 1.00 2.10 C ATOM 1641 O HIS A 124 13.782 -7.459 -5.068 1.00 2.45 O ATOM 1642 CB HIS A 124 11.370 -9.356 -3.954 1.00 2.23 C ATOM 1643 CG HIS A 124 10.711 -8.328 -4.822 1.00 2.36 C ATOM 1644 ND1 HIS A 124 10.264 -8.596 -6.099 1.00 2.46 N ATOM 1645 CD2 HIS A 124 10.415 -7.028 -4.587 1.00 2.98 C ATOM 1646 CE1 HIS A 124 9.724 -7.506 -6.612 1.00 2.83 C ATOM 1647 NE2 HIS A 124 9.801 -6.540 -5.716 1.00 3.06 N ATOM 0 H HIS A 124 11.823 -7.529 -2.347 1.00 2.97 H new ATOM 0 HA HIS A 124 13.236 -9.848 -3.017 1.00 2.45 H new ATOM 0 HB2 HIS A 124 11.404 -10.303 -4.493 1.00 2.23 H new ATOM 0 HB3 HIS A 124 10.756 -9.515 -3.068 1.00 2.23 H new ATOM 0 HD1 HIS A 124 10.339 -9.496 -6.573 1.00 2.46 H new ATOM 0 HD2 HIS A 124 10.623 -6.477 -3.682 1.00 2.98 H new ATOM 0 HE1 HIS A 124 9.292 -7.419 -7.598 1.00 2.83 H new ATOM 1656 N ILE A 125 14.217 -9.658 -5.361 1.00 1.91 N ATOM 1657 CA ILE A 125 15.076 -9.486 -6.539 1.00 2.11 C ATOM 1658 C ILE A 125 15.950 -8.238 -6.431 1.00 2.10 C ATOM 1659 O ILE A 125 15.478 -7.111 -6.578 1.00 1.90 O ATOM 1660 CB ILE A 125 14.263 -9.433 -7.846 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.114 -8.431 -7.736 1.00 2.52 C ATOM 1662 CG2 ILE A 125 13.732 -10.816 -8.193 1.00 2.86 C ATOM 1663 CD1 ILE A 125 12.656 -7.907 -9.076 1.00 3.27 C ATOM 0 H ILE A 125 14.100 -10.630 -5.074 1.00 1.91 H new ATOM 0 HA ILE A 125 15.722 -10.363 -6.568 1.00 2.11 H new ATOM 0 HB ILE A 125 14.925 -9.101 -8.646 1.00 2.32 H new ATOM 0 HG12 ILE A 125 12.273 -8.906 -7.231 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.428 -7.594 -7.113 1.00 2.52 H new ATOM 0 HG21 ILE A 125 13.159 -10.764 -9.119 1.00 2.86 H new ATOM 0 HG22 ILE A 125 14.567 -11.505 -8.321 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.089 -11.171 -7.388 1.00 2.86 H new ATOM 0 HD11 ILE A 125 11.839 -7.200 -8.930 1.00 3.27 H new ATOM 0 HD12 ILE A 125 13.486 -7.405 -9.573 1.00 3.27 H new ATOM 0 HD13 ILE A 125 12.312 -8.737 -9.693 1.00 3.27 H new ATOM 1667 N GLU A 126 17.230 -8.453 -6.164 1.00 2.54 N ATOM 1668 CA GLU A 126 18.182 -7.359 -6.014 1.00 2.75 C ATOM 1669 C GLU A 126 18.696 -6.845 -7.360 1.00 2.70 C ATOM 1670 O GLU A 126 19.628 -6.042 -7.402 1.00 2.83 O ATOM 1671 CB GLU A 126 19.363 -7.810 -5.153 1.00 3.67 C ATOM 1672 CG GLU A 126 20.080 -9.035 -5.695 1.00 4.39 C ATOM 1673 CD GLU A 126 19.715 -10.303 -4.946 1.00 5.41 C ATOM 1674 OE1 GLU A 126 18.592 -10.811 -5.151 1.00 6.01 O ATOM 1675 OE2 GLU A 126 20.551 -10.786 -4.155 1.00 5.87 O ATOM 0 H GLU A 126 17.636 -9.381 -6.046 1.00 2.54 H new ATOM 0 HA GLU A 126 17.655 -6.538 -5.528 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.076 -6.989 -5.071 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.006 -8.025 -4.146 1.00 3.67 H new ATOM 0 HG2 GLU A 126 19.836 -9.157 -6.750 1.00 4.39 H new ATOM 0 HG3 GLU A 126 21.157 -8.878 -5.633 1.00 4.39 H new ATOM 1682 N ASP A 127 18.108 -7.313 -8.460 1.00 2.79 N ATOM 1683 CA ASP A 127 18.552 -6.881 -9.783 1.00 3.14 C ATOM 1684 C ASP A 127 17.816 -5.630 -10.270 1.00 2.88 C ATOM 1685 O ASP A 127 18.410 -4.556 -10.370 1.00 3.08 O ATOM 1686 CB ASP A 127 18.390 -8.014 -10.806 1.00 3.66 C ATOM 1687 CG ASP A 127 17.133 -8.839 -10.588 1.00 4.67 C ATOM 1688 OD1 ASP A 127 16.033 -8.333 -10.889 1.00 5.15 O ATOM 1689 OD2 ASP A 127 17.254 -9.989 -10.117 1.00 5.29 O ATOM 0 H ASP A 127 17.336 -7.980 -8.463 1.00 2.79 H new ATOM 0 HA ASP A 127 19.607 -6.624 -9.690 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.369 -7.589 -11.810 1.00 3.66 H new ATOM 0 HB3 ASP A 127 19.260 -8.668 -10.755 1.00 3.66 H new ATOM 1694 N ASP A 128 16.532 -5.773 -10.596 1.00 2.70 N ATOM 1695 CA ASP A 128 15.741 -4.650 -11.098 1.00 2.87 C ATOM 1696 C ASP A 128 14.898 -3.983 -10.007 1.00 2.37 C ATOM 1697 O ASP A 128 15.299 -2.975 -9.425 1.00 2.51 O ATOM 1698 CB ASP A 128 14.842 -5.113 -12.248 1.00 3.34 C ATOM 1699 CG ASP A 128 15.630 -5.447 -13.499 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.772 -4.958 -13.630 1.00 4.15 O ATOM 1701 OD2 ASP A 128 15.107 -6.199 -14.347 1.00 4.30 O ATOM 0 H ASP A 128 16.019 -6.651 -10.522 1.00 2.70 H new ATOM 0 HA ASP A 128 16.446 -3.900 -11.458 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.277 -5.990 -11.933 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.117 -4.332 -12.476 1.00 3.34 H new ATOM 1706 N GLU A 129 13.712 -4.543 -9.763 1.00 2.02 N ATOM 1707 CA GLU A 129 12.771 -4.010 -8.776 1.00 1.94 C ATOM 1708 C GLU A 129 13.464 -3.525 -7.501 1.00 1.62 C ATOM 1709 O GLU A 129 12.973 -2.616 -6.831 1.00 1.65 O ATOM 1710 CB GLU A 129 11.722 -5.072 -8.429 1.00 2.14 C ATOM 1711 CG GLU A 129 10.517 -4.530 -7.676 1.00 3.04 C ATOM 1712 CD GLU A 129 9.968 -3.252 -8.280 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.088 -3.078 -9.510 1.00 4.68 O ATOM 1714 OE2 GLU A 129 9.415 -2.427 -7.523 1.00 4.72 O ATOM 0 H GLU A 129 13.377 -5.378 -10.243 1.00 2.02 H new ATOM 0 HA GLU A 129 12.289 -3.143 -9.228 1.00 1.94 H new ATOM 0 HB2 GLU A 129 11.380 -5.544 -9.350 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.193 -5.850 -7.828 1.00 2.14 H new ATOM 0 HG2 GLU A 129 9.732 -5.286 -7.664 1.00 3.04 H new ATOM 0 HG3 GLU A 129 10.797 -4.345 -6.639 1.00 3.04 H new ATOM 1721 N ALA A 130 14.598 -4.129 -7.165 1.00 1.57 N ATOM 1722 CA ALA A 130 15.339 -3.747 -5.965 1.00 1.56 C ATOM 1723 C ALA A 130 15.529 -2.235 -5.877 1.00 1.41 C ATOM 1724 O ALA A 130 14.924 -1.572 -5.034 1.00 1.33 O ATOM 1725 CB ALA A 130 16.686 -4.445 -5.937 1.00 1.92 C ATOM 0 H ALA A 130 15.025 -4.883 -7.703 1.00 1.57 H new ATOM 0 HA ALA A 130 14.753 -4.059 -5.101 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.229 -4.152 -5.038 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.536 -5.525 -5.935 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.262 -4.160 -6.818 1.00 1.92 H new ATOM 1731 N GLU A 131 16.376 -1.697 -6.751 1.00 1.46 N ATOM 1732 CA GLU A 131 16.651 -0.262 -6.770 1.00 1.46 C ATOM 1733 C GLU A 131 15.358 0.546 -6.734 1.00 1.38 C ATOM 1734 O GLU A 131 15.237 1.510 -5.979 1.00 1.37 O ATOM 1735 CB GLU A 131 17.461 0.106 -8.014 1.00 1.66 C ATOM 1736 CG GLU A 131 18.447 1.241 -7.784 1.00 1.92 C ATOM 1737 CD GLU A 131 18.238 2.399 -8.740 1.00 2.55 C ATOM 1738 OE1 GLU A 131 17.811 2.153 -9.888 1.00 2.84 O ATOM 1739 OE2 GLU A 131 18.501 3.553 -8.341 1.00 3.30 O ATOM 0 H GLU A 131 16.884 -2.232 -7.455 1.00 1.46 H new ATOM 0 HA GLU A 131 17.231 -0.019 -5.880 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.006 -0.774 -8.356 1.00 1.66 H new ATOM 0 HB3 GLU A 131 16.776 0.387 -8.814 1.00 1.66 H new ATOM 0 HG2 GLU A 131 18.350 1.599 -6.759 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.463 0.862 -7.895 1.00 1.92 H new ATOM 1746 N GLU A 132 14.395 0.141 -7.552 1.00 1.44 N ATOM 1747 CA GLU A 132 13.108 0.823 -7.612 1.00 1.53 C ATOM 1748 C GLU A 132 12.436 0.832 -6.243 1.00 1.29 C ATOM 1749 O GLU A 132 12.037 1.883 -5.744 1.00 1.22 O ATOM 1750 CB GLU A 132 12.195 0.147 -8.638 1.00 1.86 C ATOM 1751 CG GLU A 132 12.779 0.112 -10.043 1.00 2.46 C ATOM 1752 CD GLU A 132 13.134 1.492 -10.561 1.00 2.96 C ATOM 1753 OE1 GLU A 132 12.249 2.373 -10.558 1.00 3.44 O ATOM 1754 OE2 GLU A 132 14.298 1.692 -10.967 1.00 3.37 O ATOM 0 H GLU A 132 14.480 -0.656 -8.183 1.00 1.44 H new ATOM 0 HA GLU A 132 13.284 1.854 -7.918 1.00 1.53 H new ATOM 0 HB2 GLU A 132 11.990 -0.873 -8.313 1.00 1.86 H new ATOM 0 HB3 GLU A 132 11.240 0.672 -8.663 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.671 -0.514 -10.046 1.00 2.46 H new ATOM 0 HG3 GLU A 132 12.061 -0.353 -10.719 1.00 2.46 H new ATOM 1761 N MET A 133 12.317 -0.348 -5.642 1.00 1.28 N ATOM 1762 CA MET A 133 11.693 -0.476 -4.330 1.00 1.23 C ATOM 1763 C MET A 133 12.485 0.286 -3.273 1.00 0.98 C ATOM 1764 O MET A 133 11.977 1.223 -2.662 1.00 0.92 O ATOM 1765 CB MET A 133 11.584 -1.949 -3.934 1.00 1.53 C ATOM 1766 CG MET A 133 10.596 -2.732 -4.785 1.00 1.39 C ATOM 1767 SD MET A 133 8.889 -2.208 -4.532 1.00 2.20 S ATOM 1768 CE MET A 133 8.143 -3.739 -3.973 1.00 2.47 C ATOM 0 H MET A 133 12.644 -1.228 -6.042 1.00 1.28 H new ATOM 0 HA MET A 133 10.693 -0.047 -4.390 1.00 1.23 H new ATOM 0 HB2 MET A 133 12.567 -2.413 -4.013 1.00 1.53 H new ATOM 0 HB3 MET A 133 11.284 -2.015 -2.888 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.856 -2.614 -5.837 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.684 -3.793 -4.552 1.00 1.39 H new ATOM 0 HE1 MET A 133 7.280 -3.972 -4.596 1.00 2.47 H new ATOM 0 HE2 MET A 133 8.872 -4.546 -4.046 1.00 2.47 H new ATOM 0 HE3 MET A 133 7.823 -3.631 -2.937 1.00 2.47 H new ATOM 1778 N GLU A 134 13.733 -0.118 -3.062 1.00 1.00 N ATOM 1779 CA GLU A 134 14.589 0.533 -2.075 1.00 0.98 C ATOM 1780 C GLU A 134 14.587 2.049 -2.262 1.00 0.85 C ATOM 1781 O GLU A 134 14.294 2.801 -1.330 1.00 0.92 O ATOM 1782 CB GLU A 134 16.019 -0.004 -2.179 1.00 1.17 C ATOM 1783 CG GLU A 134 16.745 -0.070 -0.845 1.00 1.00 C ATOM 1784 CD GLU A 134 15.985 -0.870 0.194 1.00 1.57 C ATOM 1785 OE1 GLU A 134 15.114 -0.285 0.873 1.00 2.11 O ATOM 1786 OE2 GLU A 134 16.261 -2.080 0.331 1.00 2.40 O ATOM 0 H GLU A 134 14.174 -0.891 -3.560 1.00 1.00 H new ATOM 0 HA GLU A 134 14.193 0.309 -1.084 1.00 0.98 H new ATOM 0 HB2 GLU A 134 15.992 -1.001 -2.618 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.587 0.629 -2.861 1.00 1.17 H new ATOM 0 HG2 GLU A 134 17.729 -0.515 -0.993 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.906 0.942 -0.473 1.00 1.00 H new ATOM 1793 N SER A 135 14.914 2.488 -3.473 1.00 0.80 N ATOM 1794 CA SER A 135 14.953 3.911 -3.788 1.00 0.84 C ATOM 1795 C SER A 135 13.592 4.566 -3.569 1.00 0.80 C ATOM 1796 O SER A 135 13.466 5.507 -2.782 1.00 0.82 O ATOM 1797 CB SER A 135 15.405 4.123 -5.233 1.00 0.97 C ATOM 1798 OG SER A 135 16.668 3.525 -5.466 1.00 1.29 O ATOM 0 H SER A 135 15.156 1.877 -4.253 1.00 0.80 H new ATOM 0 HA SER A 135 15.670 4.381 -3.114 1.00 0.84 H new ATOM 0 HB2 SER A 135 14.667 3.699 -5.914 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.460 5.190 -5.447 1.00 0.97 H new ATOM 0 HG SER A 135 16.543 2.652 -5.894 1.00 1.29 H new ATOM 1804 N LEU A 136 12.574 4.074 -4.272 1.00 0.81 N ATOM 1805 CA LEU A 136 11.231 4.633 -4.150 1.00 0.87 C ATOM 1806 C LEU A 136 10.752 4.600 -2.700 1.00 0.73 C ATOM 1807 O LEU A 136 10.334 5.624 -2.161 1.00 0.85 O ATOM 1808 CB LEU A 136 10.244 3.902 -5.078 1.00 0.98 C ATOM 1809 CG LEU A 136 9.668 2.581 -4.555 1.00 1.16 C ATOM 1810 CD1 LEU A 136 8.493 2.837 -3.622 1.00 1.17 C ATOM 1811 CD2 LEU A 136 9.236 1.698 -5.717 1.00 1.73 C ATOM 0 H LEU A 136 12.653 3.296 -4.927 1.00 0.81 H new ATOM 0 HA LEU A 136 11.272 5.677 -4.462 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.414 4.575 -5.293 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.747 3.704 -6.024 1.00 0.98 H new ATOM 0 HG LEU A 136 10.447 2.066 -3.992 1.00 1.16 H new ATOM 0 HD11 LEU A 136 8.100 1.886 -3.263 1.00 1.17 H new ATOM 0 HD12 LEU A 136 8.825 3.436 -2.774 1.00 1.17 H new ATOM 0 HD13 LEU A 136 7.711 3.373 -4.160 1.00 1.17 H new ATOM 0 HD21 LEU A 136 8.829 0.763 -5.332 1.00 1.73 H new ATOM 0 HD22 LEU A 136 8.473 2.213 -6.301 1.00 1.73 H new ATOM 0 HD23 LEU A 136 10.096 1.485 -6.351 1.00 1.73 H new ATOM 1817 N GLU A 137 10.830 3.434 -2.064 1.00 0.57 N ATOM 1818 CA GLU A 137 10.412 3.300 -0.671 1.00 0.51 C ATOM 1819 C GLU A 137 11.139 4.313 0.199 1.00 0.52 C ATOM 1820 O GLU A 137 10.516 5.068 0.949 1.00 0.53 O ATOM 1821 CB GLU A 137 10.680 1.883 -0.159 1.00 0.52 C ATOM 1822 CG GLU A 137 9.712 1.433 0.924 1.00 1.16 C ATOM 1823 CD GLU A 137 10.418 0.827 2.122 1.00 1.87 C ATOM 1824 OE1 GLU A 137 10.759 -0.372 2.067 1.00 2.45 O ATOM 1825 OE2 GLU A 137 10.629 1.554 3.116 1.00 2.54 O ATOM 0 H GLU A 137 11.176 2.573 -2.488 1.00 0.57 H new ATOM 0 HA GLU A 137 9.340 3.492 -0.617 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.625 1.187 -0.996 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.697 1.833 0.231 1.00 0.52 H new ATOM 0 HG2 GLU A 137 9.116 2.285 1.251 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.020 0.702 0.507 1.00 1.16 H new ATOM 1832 N THR A 138 12.460 4.334 0.080 1.00 0.57 N ATOM 1833 CA THR A 138 13.275 5.265 0.842 1.00 0.67 C ATOM 1834 C THR A 138 12.877 6.704 0.524 1.00 0.69 C ATOM 1835 O THR A 138 13.019 7.598 1.359 1.00 0.77 O ATOM 1836 CB THR A 138 14.757 5.042 0.530 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.225 3.853 1.141 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.647 6.174 0.993 1.00 1.10 C ATOM 0 H THR A 138 12.988 3.717 -0.537 1.00 0.57 H new ATOM 0 HA THR A 138 13.109 5.088 1.905 1.00 0.67 H new ATOM 0 HB THR A 138 14.814 4.979 -0.557 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.092 3.098 0.531 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.683 5.949 0.740 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.345 7.099 0.501 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.555 6.291 2.073 1.00 1.10 H new ATOM 1843 N GLN A 139 12.377 6.920 -0.689 1.00 0.70 N ATOM 1844 CA GLN A 139 11.960 8.251 -1.116 1.00 0.79 C ATOM 1845 C GLN A 139 10.614 8.631 -0.503 1.00 0.67 C ATOM 1846 O GLN A 139 10.506 9.635 0.201 1.00 0.67 O ATOM 1847 CB GLN A 139 11.880 8.319 -2.642 1.00 0.92 C ATOM 1848 CG GLN A 139 12.578 9.532 -3.233 1.00 1.04 C ATOM 1849 CD GLN A 139 12.802 9.407 -4.727 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.422 8.452 -5.196 1.00 2.28 O ATOM 1851 NE2 GLN A 139 12.296 10.373 -5.485 1.00 1.28 N ATOM 0 H GLN A 139 12.251 6.192 -1.392 1.00 0.70 H new ATOM 0 HA GLN A 139 12.706 8.964 -0.766 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.322 7.415 -3.062 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.832 8.330 -2.943 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.982 10.423 -3.032 1.00 1.04 H new ATOM 0 HG3 GLN A 139 13.538 9.672 -2.736 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.789 11.146 -5.055 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.414 10.342 -6.498 1.00 1.28 H new ATOM 1858 N ILE A 140 9.586 7.829 -0.769 1.00 0.60 N ATOM 1859 CA ILE A 140 8.256 8.111 -0.229 1.00 0.52 C ATOM 1860 C ILE A 140 8.282 8.110 1.295 1.00 0.47 C ATOM 1861 O ILE A 140 7.530 8.838 1.937 1.00 0.48 O ATOM 1862 CB ILE A 140 7.162 7.111 -0.704 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.708 6.099 -1.719 1.00 0.57 C ATOM 1864 CG2 ILE A 140 5.982 7.870 -1.296 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.640 5.224 -2.343 1.00 1.12 C ATOM 0 H ILE A 140 9.644 6.990 -1.346 1.00 0.60 H new ATOM 0 HA ILE A 140 7.993 9.097 -0.613 1.00 0.52 H new ATOM 0 HB ILE A 140 6.830 6.548 0.168 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.232 6.637 -2.509 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.443 5.463 -1.225 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.222 7.161 -1.625 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.558 8.531 -0.540 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.320 8.461 -2.147 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.102 4.534 -3.050 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.132 4.658 -1.563 1.00 1.12 H new ATOM 0 HD13 ILE A 140 5.917 5.850 -2.866 1.00 1.12 H new ATOM 1869 N MET A 141 9.143 7.278 1.869 1.00 0.47 N ATOM 1870 CA MET A 141 9.248 7.178 3.321 1.00 0.51 C ATOM 1871 C MET A 141 10.199 8.223 3.902 1.00 0.62 C ATOM 1872 O MET A 141 9.794 9.059 4.710 1.00 0.71 O ATOM 1873 CB MET A 141 9.706 5.774 3.716 1.00 0.51 C ATOM 1874 CG MET A 141 8.678 4.698 3.402 1.00 0.53 C ATOM 1875 SD MET A 141 7.099 4.987 4.224 1.00 1.02 S ATOM 1876 CE MET A 141 6.178 5.822 2.931 1.00 0.44 C ATOM 0 H MET A 141 9.776 6.665 1.355 1.00 0.47 H new ATOM 0 HA MET A 141 8.259 7.371 3.736 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.635 5.542 3.196 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.925 5.757 4.784 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.520 4.655 2.324 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.069 3.727 3.706 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.305 6.311 3.364 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.814 6.569 2.456 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.854 5.094 2.187 1.00 0.44 H new ATOM 1886 N GLN A 142 11.468 8.162 3.506 1.00 0.66 N ATOM 1887 CA GLN A 142 12.471 9.098 4.011 1.00 0.79 C ATOM 1888 C GLN A 142 12.508 10.388 3.197 1.00 0.80 C ATOM 1889 O GLN A 142 12.666 11.475 3.754 1.00 0.85 O ATOM 1890 CB GLN A 142 13.855 8.444 4.008 1.00 0.90 C ATOM 1891 CG GLN A 142 13.850 7.001 4.489 1.00 1.34 C ATOM 1892 CD GLN A 142 14.788 6.769 5.657 1.00 1.47 C ATOM 1893 OE1 GLN A 142 14.674 7.418 6.698 1.00 1.64 O ATOM 1894 NE2 GLN A 142 15.724 5.842 5.489 1.00 1.85 N ATOM 0 H GLN A 142 11.826 7.478 2.840 1.00 0.66 H new ATOM 0 HA GLN A 142 12.190 9.355 5.032 1.00 0.79 H new ATOM 0 HB2 GLN A 142 14.262 8.479 2.997 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.524 9.027 4.641 1.00 0.90 H new ATOM 0 HG2 GLN A 142 12.837 6.724 4.781 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.134 6.347 3.665 1.00 1.34 H new ATOM 0 HE21 GLN A 142 15.781 5.329 4.609 1.00 1.85 H new ATOM 0 HE22 GLN A 142 16.386 5.643 6.240 1.00 1.85 H new ATOM 1901 N GLY A 143 12.373 10.265 1.881 1.00 0.79 N ATOM 1902 CA GLY A 143 12.406 11.434 1.013 1.00 0.84 C ATOM 1903 C GLY A 143 11.555 12.583 1.524 1.00 0.81 C ATOM 1904 O GLY A 143 11.845 13.747 1.248 1.00 1.05 O ATOM 0 H GLY A 143 12.241 9.377 1.397 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.437 11.772 0.909 1.00 0.84 H new ATOM 0 HA3 GLY A 143 12.062 11.150 0.019 1.00 0.84 H new ATOM 1908 N LEU A 144 10.503 12.260 2.269 1.00 0.75 N ATOM 1909 CA LEU A 144 9.613 13.281 2.813 1.00 0.72 C ATOM 1910 C LEU A 144 9.964 13.595 4.264 1.00 0.87 C ATOM 1911 O LEU A 144 9.799 14.726 4.721 1.00 1.01 O ATOM 1912 CB LEU A 144 8.157 12.826 2.717 1.00 0.62 C ATOM 1913 CG LEU A 144 7.598 12.739 1.296 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.641 11.305 0.794 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.178 13.282 1.244 1.00 0.81 C ATOM 0 H LEU A 144 10.246 11.303 2.510 1.00 0.75 H new ATOM 0 HA LEU A 144 9.742 14.188 2.222 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.067 11.847 3.187 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.538 13.514 3.293 1.00 0.62 H new ATOM 0 HG LEU A 144 8.221 13.351 0.644 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.239 11.262 -0.218 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.672 10.951 0.791 1.00 0.58 H new ATOM 0 HD13 LEU A 144 7.042 10.672 1.449 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.799 13.211 0.225 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.541 12.699 1.910 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.176 14.325 1.560 1.00 0.81 H new ATOM 1921 N GLY A 145 10.444 12.588 4.985 1.00 0.91 N ATOM 1922 CA GLY A 145 10.806 12.780 6.377 1.00 1.11 C ATOM 1923 C GLY A 145 9.591 12.926 7.272 1.00 1.11 C ATOM 1924 O GLY A 145 9.410 13.957 7.922 1.00 1.24 O ATOM 0 H GLY A 145 10.589 11.643 4.631 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.404 11.934 6.715 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.431 13.668 6.469 1.00 1.11 H new ATOM 1928 N PHE A 146 8.756 11.893 7.304 1.00 1.15 N ATOM 1929 CA PHE A 146 7.549 11.905 8.123 1.00 1.25 C ATOM 1930 C PHE A 146 7.882 12.171 9.587 1.00 1.47 C ATOM 1931 O PHE A 146 7.278 13.038 10.215 1.00 99.99 O ATOM 1932 CB PHE A 146 6.808 10.574 7.988 1.00 1.63 C ATOM 1933 CG PHE A 146 6.475 10.213 6.571 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.010 11.172 5.686 1.00 1.74 C ATOM 1935 CD2 PHE A 146 6.622 8.912 6.128 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.697 10.837 4.382 1.00 1.65 C ATOM 1937 CE2 PHE A 146 6.313 8.571 4.828 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.849 9.535 3.953 1.00 0.93 C ATOM 0 H PHE A 146 8.893 11.034 6.771 1.00 1.15 H new ATOM 0 HA PHE A 146 6.907 12.711 7.768 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.419 9.782 8.422 1.00 1.63 H new ATOM 0 HB3 PHE A 146 5.887 10.620 8.568 1.00 1.63 H new ATOM 0 HD1 PHE A 146 5.891 12.193 6.019 1.00 1.74 H new ATOM 0 HD2 PHE A 146 6.983 8.154 6.808 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.334 11.593 3.701 1.00 1.65 H new ATOM 0 HE2 PHE A 146 6.434 7.551 4.494 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.606 9.269 2.935 1.00 0.93 H new TER 1948 PHE A 146