USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 749 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 114 SER OG : rot 180:sc= -1.27 USER MOD Set 1.2: A 119 SER OG : rot 180:sc= 0.00207 USER MOD Set 2.1: A 83 ASN : amide:sc= -2.5! C(o=-2.4!,f=-15!) USER MOD Set 2.2: A 96 THR OG1 : rot 180:sc= 0.144 USER MOD Set 3.1: A 73 SER OG : rot 99:sc= -1.33! USER MOD Set 3.2: A 82 HIS : no HE2:sc= -5.19! C(o=-6.5!,f=-10!) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.836 K(o=-0.84,f=0.085) USER MOD Single : A 19 GLN : amide:sc= -0.38 K(o=-0.38,f=-3!) USER MOD Single : A 29 SER OG : rot 115:sc= 0.885 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 33 TYR OH : rot 85:sc= 1.08 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.971 K(o=-0.97,f=-0.17) USER MOD Single : A 37 SER OG : rot 38:sc= 0.166 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -5.36! C(o=-5.4!,f=-4.1!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -87:sc= 1.05 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.06 K(o=-2.1,f=-11!) USER MOD Single : A 68 SER OG : rot -20:sc= -0.444! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.049 USER MOD Single : A 79 ASN : amide:sc= -3.05! C(o=-3.1!,f=-1.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 73:sc= 1.68 USER MOD Single : A 97 TYR OH : rot 75:sc= -2.67 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.93! C(o=-1.9!,f=-9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.14) USER MOD Single : A 109 SER OG : rot -52:sc= -5.29! USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 125 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 -30.982 -2.270 -2.738 1.00 0.00 N ATOM 26 CA ARG A 8 -29.530 -2.201 -2.604 1.00 0.00 C ATOM 27 C ARG A 8 -29.049 -0.755 -2.588 1.00 0.00 C ATOM 28 O ARG A 8 -29.843 0.179 -2.706 1.00 0.00 O ATOM 29 CB ARG A 8 -28.840 -2.967 -3.740 1.00 0.00 C ATOM 30 CG ARG A 8 -29.670 -3.084 -5.009 1.00 0.00 C ATOM 31 CD ARG A 8 -28.973 -3.944 -6.050 1.00 0.00 C ATOM 32 NE ARG A 8 -28.759 -3.222 -7.301 1.00 0.00 N ATOM 33 CZ ARG A 8 -27.932 -3.635 -8.257 1.00 0.00 C ATOM 34 NH1 ARG A 8 -27.792 -2.923 -9.368 1.00 0.00 N ATOM 35 NH2 ARG A 8 -27.246 -4.759 -8.104 1.00 0.00 N ATOM 0 HA ARG A 8 -29.265 -2.666 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.900 -2.470 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -28.591 -3.968 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.643 -3.515 -4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -29.853 -2.091 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -28.014 -4.282 -5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -29.570 -4.835 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 8 -29.272 -2.353 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.319 -2.058 -9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.157 -3.241 -10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -27.352 -5.309 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.612 -5.074 -8.839 1.00 0.00 H new ATOM 49 N CYS A 9 -27.742 -0.582 -2.434 1.00 0.00 N ATOM 50 CA CYS A 9 -27.142 0.745 -2.381 1.00 0.00 C ATOM 51 C CYS A 9 -26.678 1.197 -3.764 1.00 0.00 C ATOM 52 O CYS A 9 -26.490 0.378 -4.664 1.00 0.00 O ATOM 53 CB CYS A 9 -25.966 0.742 -1.407 1.00 0.00 C ATOM 54 SG CYS A 9 -26.453 0.738 0.348 1.00 0.00 S ATOM 0 H CYS A 9 -27.075 -1.348 -2.343 1.00 0.00 H new ATOM 0 HA CYS A 9 -27.898 1.449 -2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -25.348 -0.134 -1.603 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -25.347 1.618 -1.599 1.00 0.00 H new ATOM 59 N PRO A 10 -26.490 2.515 -3.951 1.00 0.00 N ATOM 60 CA PRO A 10 -26.060 3.080 -5.234 1.00 0.00 C ATOM 61 C PRO A 10 -24.605 2.756 -5.557 1.00 0.00 C ATOM 62 O PRO A 10 -23.901 2.145 -4.753 1.00 0.00 O ATOM 63 CB PRO A 10 -26.240 4.585 -5.040 1.00 0.00 C ATOM 64 CG PRO A 10 -26.125 4.791 -3.572 1.00 0.00 C ATOM 65 CD PRO A 10 -26.702 3.560 -2.932 1.00 0.00 C ATOM 0 HA PRO A 10 -26.632 2.672 -6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.479 5.148 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.208 4.920 -5.413 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -25.085 4.932 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.668 5.683 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.196 3.318 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -27.759 3.686 -2.699 1.00 0.00 H new ATOM 73 N SER A 11 -24.160 3.174 -6.739 1.00 0.00 N ATOM 74 CA SER A 11 -22.787 2.936 -7.168 1.00 0.00 C ATOM 75 C SER A 11 -21.800 3.369 -6.085 1.00 0.00 C ATOM 76 O SER A 11 -21.600 4.563 -5.861 1.00 0.00 O ATOM 77 CB SER A 11 -22.500 3.693 -8.466 1.00 0.00 C ATOM 78 OG SER A 11 -21.726 2.908 -9.356 1.00 0.00 O ATOM 0 H SER A 11 -24.731 3.679 -7.416 1.00 0.00 H new ATOM 0 HA SER A 11 -22.664 1.867 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.440 3.970 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.972 4.620 -8.241 1.00 0.00 H new ATOM 0 HG SER A 11 -21.558 3.415 -10.178 1.00 0.00 H new ATOM 84 N PRO A 12 -21.176 2.405 -5.385 1.00 0.00 N ATOM 85 CA PRO A 12 -20.222 2.703 -4.315 1.00 0.00 C ATOM 86 C PRO A 12 -19.178 3.730 -4.729 1.00 0.00 C ATOM 87 O PRO A 12 -18.738 3.756 -5.878 1.00 0.00 O ATOM 88 CB PRO A 12 -19.564 1.355 -4.043 1.00 0.00 C ATOM 89 CG PRO A 12 -20.596 0.352 -4.421 1.00 0.00 C ATOM 90 CD PRO A 12 -21.354 0.951 -5.575 1.00 0.00 C ATOM 0 HA PRO A 12 -20.714 3.139 -3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.656 1.231 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.280 1.256 -2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.135 -0.594 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.262 0.143 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.954 0.619 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.407 0.669 -5.554 1.00 0.00 H new ATOM 98 N ARG A 13 -18.786 4.578 -3.784 1.00 0.00 N ATOM 99 CA ARG A 13 -17.772 5.589 -4.044 1.00 0.00 C ATOM 100 C ARG A 13 -16.514 4.932 -4.581 1.00 0.00 C ATOM 101 O ARG A 13 -16.359 3.716 -4.493 1.00 0.00 O ATOM 102 CB ARG A 13 -17.457 6.374 -2.770 1.00 0.00 C ATOM 103 CG ARG A 13 -17.392 7.877 -2.983 1.00 0.00 C ATOM 104 CD ARG A 13 -18.089 8.629 -1.862 1.00 0.00 C ATOM 105 NE ARG A 13 -18.920 9.718 -2.367 1.00 0.00 N ATOM 106 CZ ARG A 13 -18.433 10.795 -2.976 1.00 0.00 C ATOM 107 NH1 ARG A 13 -17.125 10.924 -3.153 1.00 0.00 N ATOM 108 NH2 ARG A 13 -19.253 11.743 -3.407 1.00 0.00 N ATOM 0 H ARG A 13 -19.155 4.584 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.155 6.285 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -18.217 6.154 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.504 6.031 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.350 8.193 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.856 8.131 -3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -18.707 7.936 -1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.343 9.030 -1.176 1.00 0.00 H new ATOM 0 HE ARG A 13 -19.930 9.649 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.491 10.197 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.753 11.751 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -20.259 11.647 -3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.878 12.568 -3.874 1.00 0.00 H new ATOM 122 N ASP A 14 -15.626 5.729 -5.152 1.00 0.00 N ATOM 123 CA ASP A 14 -14.411 5.192 -5.740 1.00 0.00 C ATOM 124 C ASP A 14 -13.164 5.695 -5.031 1.00 0.00 C ATOM 125 O ASP A 14 -13.240 6.373 -4.006 1.00 0.00 O ATOM 126 CB ASP A 14 -14.348 5.557 -7.221 1.00 0.00 C ATOM 127 CG ASP A 14 -14.010 4.367 -8.097 1.00 0.00 C ATOM 128 OD1 ASP A 14 -14.922 3.857 -8.782 1.00 0.00 O ATOM 129 OD2 ASP A 14 -12.834 3.947 -8.100 1.00 0.00 O ATOM 0 H ASP A 14 -15.722 6.742 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.440 4.108 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.307 5.972 -7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.601 6.337 -7.368 1.00 0.00 H new ATOM 134 N ILE A 15 -12.015 5.342 -5.589 1.00 0.00 N ATOM 135 CA ILE A 15 -10.728 5.736 -5.034 1.00 0.00 C ATOM 136 C ILE A 15 -9.746 6.062 -6.156 1.00 0.00 C ATOM 137 O ILE A 15 -9.793 5.457 -7.227 1.00 0.00 O ATOM 138 CB ILE A 15 -10.148 4.625 -4.139 1.00 0.00 C ATOM 139 CG1 ILE A 15 -8.842 5.078 -3.486 1.00 0.00 C ATOM 140 CG2 ILE A 15 -9.931 3.360 -4.949 1.00 0.00 C ATOM 141 CD1 ILE A 15 -8.683 4.587 -2.062 1.00 0.00 C ATOM 0 H ILE A 15 -11.948 4.777 -6.436 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.883 6.625 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.864 4.412 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.003 4.720 -4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.798 6.167 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.521 2.582 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.882 3.025 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.234 3.564 -5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.736 4.944 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.503 4.966 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.695 3.497 -2.049 1.00 0.00 H new ATOM 153 N ASP A 16 -8.882 7.042 -5.920 1.00 0.00 N ATOM 154 CA ASP A 16 -7.935 7.488 -6.937 1.00 0.00 C ATOM 155 C ASP A 16 -6.786 6.504 -7.124 1.00 0.00 C ATOM 156 O ASP A 16 -6.644 5.898 -8.187 1.00 0.00 O ATOM 157 CB ASP A 16 -7.377 8.865 -6.570 1.00 0.00 C ATOM 158 CG ASP A 16 -8.359 9.983 -6.860 1.00 0.00 C ATOM 159 OD1 ASP A 16 -8.547 10.851 -5.981 1.00 0.00 O ATOM 160 OD2 ASP A 16 -8.937 9.993 -7.966 1.00 0.00 O ATOM 0 H ASP A 16 -8.817 7.543 -5.034 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.479 7.548 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.118 8.878 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.456 9.041 -7.126 1.00 0.00 H new ATOM 165 N ASN A 17 -5.950 6.372 -6.101 1.00 0.00 N ATOM 166 CA ASN A 17 -4.786 5.493 -6.174 1.00 0.00 C ATOM 167 C ASN A 17 -5.114 4.094 -5.662 1.00 0.00 C ATOM 168 O ASN A 17 -4.230 3.373 -5.198 1.00 0.00 O ATOM 169 CB ASN A 17 -3.620 6.075 -5.365 1.00 0.00 C ATOM 170 CG ASN A 17 -3.603 7.592 -5.362 1.00 0.00 C ATOM 171 OD1 ASN A 17 -2.881 8.220 -6.136 1.00 0.00 O ATOM 172 ND2 ASN A 17 -4.405 8.188 -4.487 1.00 0.00 N ATOM 0 H ASN A 17 -6.055 6.861 -5.212 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.497 5.419 -7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.682 5.715 -4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.680 5.707 -5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.439 9.206 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.987 7.627 -3.864 1.00 0.00 H new ATOM 179 N GLY A 18 -6.382 3.708 -5.758 1.00 0.00 N ATOM 180 CA GLY A 18 -6.785 2.397 -5.283 1.00 0.00 C ATOM 181 C GLY A 18 -7.836 1.739 -6.158 1.00 0.00 C ATOM 182 O GLY A 18 -8.211 2.271 -7.202 1.00 0.00 O ATOM 0 H GLY A 18 -7.133 4.274 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.908 1.751 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.173 2.489 -4.268 1.00 0.00 H new ATOM 186 N GLN A 19 -8.313 0.575 -5.722 1.00 0.00 N ATOM 187 CA GLN A 19 -9.337 -0.166 -6.448 1.00 0.00 C ATOM 188 C GLN A 19 -10.336 -0.782 -5.475 1.00 0.00 C ATOM 189 O GLN A 19 -9.952 -1.317 -4.435 1.00 0.00 O ATOM 190 CB GLN A 19 -8.698 -1.264 -7.300 1.00 0.00 C ATOM 191 CG GLN A 19 -7.531 -0.777 -8.142 1.00 0.00 C ATOM 192 CD GLN A 19 -7.663 -1.167 -9.602 1.00 0.00 C ATOM 193 OE1 GLN A 19 -8.577 -1.900 -9.980 1.00 0.00 O ATOM 194 NE2 GLN A 19 -6.750 -0.675 -10.431 1.00 0.00 N ATOM 0 H GLN A 19 -8.002 0.123 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.863 0.528 -7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.354 -2.066 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.456 -1.691 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.459 0.308 -8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.603 -1.187 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.010 -0.071 -10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.789 -0.901 -11.425 1.00 0.00 H new ATOM 203 N LEU A 20 -11.616 -0.702 -5.813 1.00 0.00 N ATOM 204 CA LEU A 20 -12.664 -1.236 -4.952 1.00 0.00 C ATOM 205 C LEU A 20 -12.814 -2.744 -5.112 1.00 0.00 C ATOM 206 O LEU A 20 -12.360 -3.328 -6.095 1.00 0.00 O ATOM 207 CB LEU A 20 -14.002 -0.572 -5.261 1.00 0.00 C ATOM 208 CG LEU A 20 -13.934 0.912 -5.608 1.00 0.00 C ATOM 209 CD1 LEU A 20 -15.326 1.508 -5.571 1.00 0.00 C ATOM 210 CD2 LEU A 20 -13.011 1.650 -4.652 1.00 0.00 C ATOM 0 H LEU A 20 -11.954 -0.274 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.370 -1.021 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.467 -1.101 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.657 -0.696 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.527 1.019 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.275 2.568 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.960 0.996 -6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.746 1.389 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.979 2.706 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.383 1.545 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.008 1.229 -4.717 1.00 0.00 H new ATOM 222 N ASP A 21 -13.493 -3.355 -4.148 1.00 0.00 N ATOM 223 CA ASP A 21 -13.775 -4.783 -4.181 1.00 0.00 C ATOM 224 C ASP A 21 -15.226 -5.025 -3.785 1.00 0.00 C ATOM 225 O ASP A 21 -15.511 -5.493 -2.683 1.00 0.00 O ATOM 226 CB ASP A 21 -12.838 -5.544 -3.242 1.00 0.00 C ATOM 227 CG ASP A 21 -12.377 -6.864 -3.828 1.00 0.00 C ATOM 228 OD1 ASP A 21 -12.771 -7.922 -3.293 1.00 0.00 O ATOM 229 OD2 ASP A 21 -11.621 -6.840 -4.821 1.00 0.00 O ATOM 0 H ASP A 21 -13.861 -2.876 -3.326 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.610 -5.150 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.969 -4.925 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.347 -5.728 -2.296 1.00 0.00 H new ATOM 234 N ILE A 22 -16.140 -4.648 -4.675 1.00 0.00 N ATOM 235 CA ILE A 22 -17.568 -4.773 -4.414 1.00 0.00 C ATOM 236 C ILE A 22 -18.017 -6.230 -4.402 1.00 0.00 C ATOM 237 O ILE A 22 -18.181 -6.850 -5.453 1.00 0.00 O ATOM 238 CB ILE A 22 -18.401 -4.000 -5.458 1.00 0.00 C ATOM 239 CG1 ILE A 22 -17.972 -2.529 -5.500 1.00 0.00 C ATOM 240 CG2 ILE A 22 -19.886 -4.115 -5.145 1.00 0.00 C ATOM 241 CD1 ILE A 22 -18.696 -1.715 -6.549 1.00 0.00 C ATOM 0 H ILE A 22 -15.914 -4.252 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.738 -4.343 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 22 -18.222 -4.440 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.145 -2.081 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.900 -2.478 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -20.459 -3.564 -5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -20.181 -5.164 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -20.083 -3.699 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.341 -0.685 -6.520 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -18.503 -2.138 -7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -19.767 -1.735 -6.350 1.00 0.00 H new ATOM 253 N GLY A 23 -18.237 -6.759 -3.204 1.00 0.00 N ATOM 254 CA GLY A 23 -18.712 -8.122 -3.069 1.00 0.00 C ATOM 255 C GLY A 23 -20.181 -8.177 -2.689 1.00 0.00 C ATOM 256 O GLY A 23 -20.668 -9.201 -2.209 1.00 0.00 O ATOM 0 H GLY A 23 -18.094 -6.267 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -18.560 -8.654 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.122 -8.638 -2.312 1.00 0.00 H new ATOM 260 N GLY A 24 -20.887 -7.068 -2.902 1.00 0.00 N ATOM 261 CA GLY A 24 -22.298 -7.001 -2.569 1.00 0.00 C ATOM 262 C GLY A 24 -22.757 -5.576 -2.333 1.00 0.00 C ATOM 263 O GLY A 24 -22.106 -4.824 -1.610 1.00 0.00 O ATOM 0 H GLY A 24 -20.503 -6.212 -3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -22.883 -7.441 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -22.489 -7.596 -1.676 1.00 0.00 H new ATOM 267 N VAL A 25 -23.870 -5.198 -2.955 1.00 0.00 N ATOM 268 CA VAL A 25 -24.395 -3.842 -2.824 1.00 0.00 C ATOM 269 C VAL A 25 -25.763 -3.830 -2.149 1.00 0.00 C ATOM 270 O VAL A 25 -26.554 -2.910 -2.350 1.00 0.00 O ATOM 271 CB VAL A 25 -24.510 -3.153 -4.197 1.00 0.00 C ATOM 272 CG1 VAL A 25 -23.150 -3.079 -4.873 1.00 0.00 C ATOM 273 CG2 VAL A 25 -25.514 -3.881 -5.078 1.00 0.00 C ATOM 0 H VAL A 25 -24.425 -5.810 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 25 -23.688 -3.294 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 25 -24.869 -2.135 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -23.251 -2.589 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -22.463 -2.508 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -22.759 -4.086 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -25.582 -3.380 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -25.189 -4.911 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -26.492 -3.875 -4.597 1.00 0.00 H new ATOM 283 N ASP A 26 -26.032 -4.846 -1.337 1.00 0.00 N ATOM 284 CA ASP A 26 -27.308 -4.939 -0.632 1.00 0.00 C ATOM 285 C ASP A 26 -27.213 -4.315 0.758 1.00 0.00 C ATOM 286 O ASP A 26 -26.143 -4.290 1.365 1.00 0.00 O ATOM 287 CB ASP A 26 -27.752 -6.400 -0.512 1.00 0.00 C ATOM 288 CG ASP A 26 -26.609 -7.335 -0.170 1.00 0.00 C ATOM 289 OD1 ASP A 26 -26.324 -7.509 1.034 1.00 0.00 O ATOM 290 OD2 ASP A 26 -25.999 -7.894 -1.106 1.00 0.00 O ATOM 0 H ASP A 26 -25.388 -5.614 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 26 -28.048 -4.387 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -28.522 -6.479 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -28.205 -6.716 -1.452 1.00 0.00 H new ATOM 295 N PHE A 27 -28.341 -3.820 1.262 1.00 0.00 N ATOM 296 CA PHE A 27 -28.381 -3.211 2.588 1.00 0.00 C ATOM 297 C PHE A 27 -27.854 -4.183 3.636 1.00 0.00 C ATOM 298 O PHE A 27 -28.604 -4.987 4.188 1.00 0.00 O ATOM 299 CB PHE A 27 -29.808 -2.780 2.940 1.00 0.00 C ATOM 300 CG PHE A 27 -29.936 -2.098 4.279 1.00 0.00 C ATOM 301 CD1 PHE A 27 -31.165 -2.032 4.915 1.00 0.00 C ATOM 302 CD2 PHE A 27 -28.836 -1.514 4.897 1.00 0.00 C ATOM 303 CE1 PHE A 27 -31.297 -1.406 6.141 1.00 0.00 C ATOM 304 CE2 PHE A 27 -28.963 -0.888 6.122 1.00 0.00 C ATOM 305 CZ PHE A 27 -30.195 -0.834 6.745 1.00 0.00 C ATOM 0 H PHE A 27 -29.236 -3.829 0.774 1.00 0.00 H new ATOM 0 HA PHE A 27 -27.743 -2.327 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -30.173 -2.106 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -30.454 -3.658 2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -32.032 -2.475 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -27.871 -1.550 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -32.261 -1.365 6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -28.100 -0.441 6.592 1.00 0.00 H new ATOM 0 HZ PHE A 27 -30.296 -0.345 7.703 1.00 0.00 H new ATOM 315 N GLY A 28 -26.553 -4.110 3.893 1.00 0.00 N ATOM 316 CA GLY A 28 -25.934 -5.002 4.853 1.00 0.00 C ATOM 317 C GLY A 28 -24.666 -5.644 4.317 1.00 0.00 C ATOM 318 O GLY A 28 -23.927 -6.285 5.064 1.00 0.00 O ATOM 0 H GLY A 28 -25.915 -3.447 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -25.700 -4.447 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -26.643 -5.782 5.129 1.00 0.00 H new ATOM 322 N SER A 29 -24.415 -5.480 3.018 1.00 0.00 N ATOM 323 CA SER A 29 -23.223 -6.037 2.395 1.00 0.00 C ATOM 324 C SER A 29 -21.997 -5.215 2.773 1.00 0.00 C ATOM 325 O SER A 29 -22.058 -4.378 3.673 1.00 0.00 O ATOM 326 CB SER A 29 -23.390 -6.067 0.875 1.00 0.00 C ATOM 327 OG SER A 29 -23.527 -4.758 0.352 1.00 0.00 O ATOM 0 H SER A 29 -25.023 -4.966 2.381 1.00 0.00 H new ATOM 0 HA SER A 29 -23.084 -7.057 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 29 -22.528 -6.555 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 29 -24.266 -6.660 0.614 1.00 0.00 H new ATOM 0 HG SER A 29 -22.756 -4.551 -0.216 1.00 0.00 H new ATOM 333 N SER A 30 -20.885 -5.449 2.085 1.00 0.00 N ATOM 334 CA SER A 30 -19.662 -4.713 2.369 1.00 0.00 C ATOM 335 C SER A 30 -18.711 -4.719 1.176 1.00 0.00 C ATOM 336 O SER A 30 -18.711 -5.648 0.368 1.00 0.00 O ATOM 337 CB SER A 30 -18.961 -5.302 3.595 1.00 0.00 C ATOM 338 OG SER A 30 -19.033 -6.717 3.594 1.00 0.00 O ATOM 0 H SER A 30 -20.806 -6.135 1.335 1.00 0.00 H new ATOM 0 HA SER A 30 -19.941 -3.679 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 30 -17.917 -4.988 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.421 -4.912 4.503 1.00 0.00 H new ATOM 0 HG SER A 30 -18.576 -7.068 4.387 1.00 0.00 H new ATOM 344 N ILE A 31 -17.897 -3.673 1.086 1.00 0.00 N ATOM 345 CA ILE A 31 -16.920 -3.540 0.010 1.00 0.00 C ATOM 346 C ILE A 31 -15.505 -3.615 0.568 1.00 0.00 C ATOM 347 O ILE A 31 -15.303 -3.535 1.780 1.00 0.00 O ATOM 348 CB ILE A 31 -17.063 -2.203 -0.760 1.00 0.00 C ATOM 349 CG1 ILE A 31 -18.421 -1.543 -0.515 1.00 0.00 C ATOM 350 CG2 ILE A 31 -16.862 -2.427 -2.246 1.00 0.00 C ATOM 351 CD1 ILE A 31 -18.586 -0.240 -1.262 1.00 0.00 C ATOM 0 H ILE A 31 -17.895 -2.899 1.750 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.110 -4.362 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.292 -1.530 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -19.212 -2.230 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.544 -1.362 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -16.965 -1.479 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -15.866 -2.833 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -17.610 -3.130 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -19.569 0.180 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.815 0.462 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -18.494 -0.420 -2.333 1.00 0.00 H new ATOM 363 N THR A 32 -14.525 -3.727 -0.320 1.00 0.00 N ATOM 364 CA THR A 32 -13.131 -3.777 0.098 1.00 0.00 C ATOM 365 C THR A 32 -12.273 -2.841 -0.744 1.00 0.00 C ATOM 366 O THR A 32 -12.086 -3.060 -1.940 1.00 0.00 O ATOM 367 CB THR A 32 -12.594 -5.207 0.004 1.00 0.00 C ATOM 368 OG1 THR A 32 -13.658 -6.142 0.014 1.00 0.00 O ATOM 369 CG2 THR A 32 -11.651 -5.568 1.131 1.00 0.00 C ATOM 0 H THR A 32 -14.669 -3.785 -1.328 1.00 0.00 H new ATOM 0 HA THR A 32 -13.081 -3.448 1.136 1.00 0.00 H new ATOM 0 HB THR A 32 -12.041 -5.248 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.296 -7.050 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.308 -6.595 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.794 -4.895 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.171 -5.475 2.084 1.00 0.00 H new ATOM 377 N TYR A 33 -11.756 -1.795 -0.109 1.00 0.00 N ATOM 378 CA TYR A 33 -10.917 -0.824 -0.796 1.00 0.00 C ATOM 379 C TYR A 33 -9.466 -1.285 -0.829 1.00 0.00 C ATOM 380 O TYR A 33 -8.948 -1.810 0.158 1.00 0.00 O ATOM 381 CB TYR A 33 -11.019 0.537 -0.110 1.00 0.00 C ATOM 382 CG TYR A 33 -12.166 1.378 -0.614 1.00 0.00 C ATOM 383 CD1 TYR A 33 -11.943 2.423 -1.499 1.00 0.00 C ATOM 384 CD2 TYR A 33 -13.472 1.119 -0.215 1.00 0.00 C ATOM 385 CE1 TYR A 33 -12.987 3.194 -1.970 1.00 0.00 C ATOM 386 CE2 TYR A 33 -14.523 1.887 -0.680 1.00 0.00 C ATOM 387 CZ TYR A 33 -14.275 2.924 -1.556 1.00 0.00 C ATOM 388 OH TYR A 33 -15.318 3.691 -2.021 1.00 0.00 O ATOM 0 H TYR A 33 -11.904 -1.599 0.881 1.00 0.00 H new ATOM 0 HA TYR A 33 -11.271 -0.734 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.133 0.387 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.086 1.081 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.936 2.637 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.668 0.306 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.796 4.004 -2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.533 1.677 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.624 3.339 -2.883 1.00 0.00 H new ATOM 398 N SER A 34 -8.814 -1.091 -1.970 1.00 0.00 N ATOM 399 CA SER A 34 -7.421 -1.489 -2.128 1.00 0.00 C ATOM 400 C SER A 34 -6.640 -0.423 -2.884 1.00 0.00 C ATOM 401 O SER A 34 -7.225 0.499 -3.447 1.00 0.00 O ATOM 402 CB SER A 34 -7.333 -2.826 -2.868 1.00 0.00 C ATOM 403 OG SER A 34 -6.626 -3.787 -2.103 1.00 0.00 O ATOM 0 H SER A 34 -9.227 -0.661 -2.798 1.00 0.00 H new ATOM 0 HA SER A 34 -6.983 -1.603 -1.137 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.337 -3.194 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.835 -2.682 -3.827 1.00 0.00 H new ATOM 0 HG SER A 34 -6.585 -4.633 -2.597 1.00 0.00 H new ATOM 409 N CYS A 35 -5.319 -0.553 -2.894 1.00 0.00 N ATOM 410 CA CYS A 35 -4.466 0.401 -3.585 1.00 0.00 C ATOM 411 C CYS A 35 -4.202 -0.050 -5.019 1.00 0.00 C ATOM 412 O CYS A 35 -4.379 -1.222 -5.352 1.00 0.00 O ATOM 413 CB CYS A 35 -3.147 0.563 -2.833 1.00 0.00 C ATOM 414 SG CYS A 35 -3.190 1.827 -1.522 1.00 0.00 S ATOM 0 H CYS A 35 -4.817 -1.310 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.978 1.363 -3.617 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.873 -0.395 -2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.364 0.821 -3.546 1.00 0.00 H new ATOM 419 N ASN A 36 -3.785 0.885 -5.866 1.00 0.00 N ATOM 420 CA ASN A 36 -3.514 0.578 -7.267 1.00 0.00 C ATOM 421 C ASN A 36 -2.407 -0.463 -7.399 1.00 0.00 C ATOM 422 O ASN A 36 -2.676 -1.644 -7.623 1.00 0.00 O ATOM 423 CB ASN A 36 -3.127 1.850 -8.025 1.00 0.00 C ATOM 424 CG ASN A 36 -4.094 2.167 -9.149 1.00 0.00 C ATOM 425 OD1 ASN A 36 -4.151 1.457 -10.153 1.00 0.00 O ATOM 426 ND2 ASN A 36 -4.861 3.237 -8.983 1.00 0.00 N ATOM 0 H ASN A 36 -3.627 1.859 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.425 0.166 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.094 2.689 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.123 1.735 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.532 3.500 -9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.779 3.796 -8.134 1.00 0.00 H new ATOM 433 N SER A 37 -1.162 -0.018 -7.270 1.00 0.00 N ATOM 434 CA SER A 37 -0.016 -0.913 -7.380 1.00 0.00 C ATOM 435 C SER A 37 1.195 -0.329 -6.663 1.00 0.00 C ATOM 436 O SER A 37 1.517 0.848 -6.825 1.00 0.00 O ATOM 437 CB SER A 37 0.320 -1.167 -8.851 1.00 0.00 C ATOM 438 OG SER A 37 -0.246 -2.385 -9.301 1.00 0.00 O ATOM 0 H SER A 37 -0.921 0.956 -7.089 1.00 0.00 H new ATOM 0 HA SER A 37 -0.276 -1.860 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.052 -0.343 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.402 -1.196 -8.980 1.00 0.00 H new ATOM 0 HG SER A 37 -1.133 -2.502 -8.900 1.00 0.00 H new ATOM 444 N GLY A 38 1.866 -1.159 -5.872 1.00 0.00 N ATOM 445 CA GLY A 38 3.019 -0.695 -5.127 1.00 0.00 C ATOM 446 C GLY A 38 2.657 0.418 -4.167 1.00 0.00 C ATOM 447 O GLY A 38 3.497 1.244 -3.811 1.00 0.00 O ATOM 0 H GLY A 38 1.632 -2.142 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.452 -1.527 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.782 -0.343 -5.821 1.00 0.00 H new ATOM 451 N TYR A 39 1.393 0.443 -3.758 1.00 0.00 N ATOM 452 CA TYR A 39 0.900 1.465 -2.845 1.00 0.00 C ATOM 453 C TYR A 39 0.444 0.841 -1.529 1.00 0.00 C ATOM 454 O TYR A 39 0.365 -0.381 -1.407 1.00 0.00 O ATOM 455 CB TYR A 39 -0.266 2.217 -3.489 1.00 0.00 C ATOM 456 CG TYR A 39 0.143 3.476 -4.219 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.655 4.612 -4.175 1.00 0.00 C ATOM 458 CD2 TYR A 39 1.320 3.528 -4.954 1.00 0.00 C ATOM 459 CE1 TYR A 39 -0.290 5.766 -4.840 1.00 0.00 C ATOM 460 CE2 TYR A 39 1.693 4.679 -5.621 1.00 0.00 C ATOM 461 CZ TYR A 39 0.885 5.795 -5.562 1.00 0.00 C ATOM 462 OH TYR A 39 1.252 6.943 -6.226 1.00 0.00 O ATOM 0 H TYR A 39 0.689 -0.237 -4.047 1.00 0.00 H new ATOM 0 HA TYR A 39 1.712 2.161 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.772 1.552 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.989 2.476 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.576 4.593 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.954 2.655 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.921 6.641 -4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.613 4.705 -6.186 1.00 0.00 H new ATOM 0 HH TYR A 39 2.106 6.797 -6.685 1.00 0.00 H new ATOM 472 N HIS A 40 0.139 1.686 -0.548 1.00 0.00 N ATOM 473 CA HIS A 40 -0.334 1.210 0.746 1.00 0.00 C ATOM 474 C HIS A 40 -1.594 1.956 1.167 1.00 0.00 C ATOM 475 O HIS A 40 -1.662 3.182 1.086 1.00 0.00 O ATOM 476 CB HIS A 40 0.755 1.352 1.814 1.00 0.00 C ATOM 477 CG HIS A 40 1.007 2.761 2.253 1.00 0.00 C ATOM 478 ND1 HIS A 40 1.287 3.101 3.561 1.00 0.00 N ATOM 479 CD2 HIS A 40 1.043 3.919 1.552 1.00 0.00 C ATOM 480 CE1 HIS A 40 1.475 4.405 3.645 1.00 0.00 C ATOM 481 NE2 HIS A 40 1.331 4.924 2.441 1.00 0.00 N ATOM 0 H HIS A 40 0.211 2.701 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.577 0.152 0.646 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.475 0.758 2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.684 0.933 1.427 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.340 2.446 4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.876 4.031 0.491 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.707 4.953 4.546 1.00 0.00 H new ATOM 490 N LEU A 41 -2.602 1.200 1.588 1.00 0.00 N ATOM 491 CA LEU A 41 -3.873 1.774 2.002 1.00 0.00 C ATOM 492 C LEU A 41 -3.845 2.142 3.480 1.00 0.00 C ATOM 493 O LEU A 41 -3.440 1.339 4.320 1.00 0.00 O ATOM 494 CB LEU A 41 -5.008 0.783 1.727 1.00 0.00 C ATOM 495 CG LEU A 41 -6.379 1.421 1.507 1.00 0.00 C ATOM 496 CD1 LEU A 41 -7.296 0.488 0.738 1.00 0.00 C ATOM 497 CD2 LEU A 41 -7.005 1.798 2.834 1.00 0.00 C ATOM 0 H LEU A 41 -2.561 0.183 1.651 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.045 2.684 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.752 0.194 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.076 0.089 2.565 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.240 2.325 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.265 0.966 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.855 0.264 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.427 -0.437 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.981 2.251 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.124 0.905 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.361 2.510 3.351 1.00 0.00 H new ATOM 509 N ILE A 42 -4.268 3.362 3.792 1.00 0.00 N ATOM 510 CA ILE A 42 -4.274 3.831 5.173 1.00 0.00 C ATOM 511 C ILE A 42 -5.687 3.859 5.737 1.00 0.00 C ATOM 512 O ILE A 42 -6.663 3.980 4.996 1.00 0.00 O ATOM 513 CB ILE A 42 -3.644 5.232 5.318 1.00 0.00 C ATOM 514 CG1 ILE A 42 -2.557 5.449 4.263 1.00 0.00 C ATOM 515 CG2 ILE A 42 -3.063 5.397 6.711 1.00 0.00 C ATOM 516 CD1 ILE A 42 -1.520 4.350 4.243 1.00 0.00 C ATOM 0 H ILE A 42 -4.609 4.041 3.112 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.669 3.122 5.738 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.422 5.980 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.022 5.519 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.063 6.403 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.620 6.388 6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.854 5.281 7.451 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.297 4.640 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.778 4.564 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.029 4.295 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.003 3.397 4.026 1.00 0.00 H new ATOM 528 N GLY A 43 -5.783 3.744 7.056 1.00 0.00 N ATOM 529 CA GLY A 43 -7.079 3.724 7.707 1.00 0.00 C ATOM 530 C GLY A 43 -7.811 2.422 7.453 1.00 0.00 C ATOM 531 O GLY A 43 -7.210 1.349 7.508 1.00 0.00 O ATOM 0 H GLY A 43 -4.986 3.664 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.950 3.866 8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.681 4.557 7.345 1.00 0.00 H new ATOM 535 N GLU A 44 -9.101 2.510 7.154 1.00 0.00 N ATOM 536 CA GLU A 44 -9.890 1.319 6.856 1.00 0.00 C ATOM 537 C GLU A 44 -9.673 0.900 5.410 1.00 0.00 C ATOM 538 O GLU A 44 -8.907 1.527 4.684 1.00 0.00 O ATOM 539 CB GLU A 44 -11.385 1.553 7.107 1.00 0.00 C ATOM 540 CG GLU A 44 -11.694 2.759 7.976 1.00 0.00 C ATOM 541 CD GLU A 44 -10.933 2.746 9.286 1.00 0.00 C ATOM 542 OE1 GLU A 44 -10.133 3.676 9.518 1.00 0.00 O ATOM 543 OE2 GLU A 44 -11.134 1.802 10.080 1.00 0.00 O ATOM 0 H GLU A 44 -9.621 3.386 7.111 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.556 0.525 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.888 1.674 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.805 0.664 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.450 3.669 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.764 2.789 8.182 1.00 0.00 H new ATOM 550 N SER A 45 -10.364 -0.151 4.995 1.00 0.00 N ATOM 551 CA SER A 45 -10.241 -0.666 3.643 1.00 0.00 C ATOM 552 C SER A 45 -11.495 -1.420 3.228 1.00 0.00 C ATOM 553 O SER A 45 -11.456 -2.278 2.347 1.00 0.00 O ATOM 554 CB SER A 45 -9.044 -1.596 3.567 1.00 0.00 C ATOM 555 OG SER A 45 -9.005 -2.473 4.679 1.00 0.00 O ATOM 0 H SER A 45 -11.020 -0.666 5.582 1.00 0.00 H new ATOM 0 HA SER A 45 -10.106 0.176 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.088 -2.176 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.126 -1.009 3.531 1.00 0.00 H new ATOM 0 HG SER A 45 -8.225 -3.062 4.604 1.00 0.00 H new ATOM 561 N LYS A 46 -12.605 -1.097 3.873 1.00 0.00 N ATOM 562 CA LYS A 46 -13.867 -1.759 3.597 1.00 0.00 C ATOM 563 C LYS A 46 -15.041 -0.807 3.785 1.00 0.00 C ATOM 564 O LYS A 46 -15.052 0.011 4.706 1.00 0.00 O ATOM 565 CB LYS A 46 -14.025 -2.964 4.520 1.00 0.00 C ATOM 566 CG LYS A 46 -13.434 -4.242 3.953 1.00 0.00 C ATOM 567 CD LYS A 46 -14.204 -5.467 4.417 1.00 0.00 C ATOM 568 CE LYS A 46 -15.056 -6.045 3.299 1.00 0.00 C ATOM 569 NZ LYS A 46 -15.449 -7.455 3.572 1.00 0.00 N ATOM 0 H LYS A 46 -12.656 -0.377 4.594 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.861 -2.089 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.548 -2.745 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.085 -3.121 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.443 -4.196 2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.392 -4.329 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.505 -6.224 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.841 -5.200 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.952 -5.436 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.504 -5.997 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.029 -7.812 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -14.595 -8.041 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.998 -7.498 4.454 1.00 0.00 H new ATOM 583 N SER A 47 -16.030 -0.926 2.910 1.00 0.00 N ATOM 584 CA SER A 47 -17.224 -0.097 2.984 1.00 0.00 C ATOM 585 C SER A 47 -18.435 -0.953 3.331 1.00 0.00 C ATOM 586 O SER A 47 -18.503 -2.117 2.951 1.00 0.00 O ATOM 587 CB SER A 47 -17.453 0.617 1.652 1.00 0.00 C ATOM 588 OG SER A 47 -16.762 1.853 1.608 1.00 0.00 O ATOM 0 H SER A 47 -16.028 -1.592 2.137 1.00 0.00 H new ATOM 0 HA SER A 47 -17.084 0.650 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.118 -0.019 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.520 0.788 1.507 1.00 0.00 H new ATOM 0 HG SER A 47 -17.325 2.556 1.994 1.00 0.00 H new ATOM 594 N TYR A 48 -19.383 -0.383 4.063 1.00 0.00 N ATOM 595 CA TYR A 48 -20.577 -1.121 4.455 1.00 0.00 C ATOM 596 C TYR A 48 -21.838 -0.470 3.906 1.00 0.00 C ATOM 597 O TYR A 48 -22.125 0.694 4.187 1.00 0.00 O ATOM 598 CB TYR A 48 -20.668 -1.225 5.979 1.00 0.00 C ATOM 599 CG TYR A 48 -19.336 -1.470 6.648 1.00 0.00 C ATOM 600 CD1 TYR A 48 -19.056 -0.932 7.897 1.00 0.00 C ATOM 601 CD2 TYR A 48 -18.360 -2.239 6.030 1.00 0.00 C ATOM 602 CE1 TYR A 48 -17.838 -1.155 8.511 1.00 0.00 C ATOM 603 CE2 TYR A 48 -17.140 -2.466 6.636 1.00 0.00 C ATOM 604 CZ TYR A 48 -16.884 -1.923 7.877 1.00 0.00 C ATOM 605 OH TYR A 48 -15.670 -2.147 8.485 1.00 0.00 O ATOM 0 H TYR A 48 -19.350 0.581 4.395 1.00 0.00 H new ATOM 0 HA TYR A 48 -20.497 -2.122 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -21.099 -0.305 6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -21.351 -2.034 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.801 -0.330 8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.558 -2.667 5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.634 -0.730 9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.391 -3.066 6.140 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.113 -2.708 7.906 1.00 0.00 H new ATOM 615 N CYS A 49 -22.595 -1.235 3.127 1.00 0.00 N ATOM 616 CA CYS A 49 -23.845 -0.749 2.562 1.00 0.00 C ATOM 617 C CYS A 49 -24.884 -0.596 3.655 1.00 0.00 C ATOM 618 O CYS A 49 -25.769 -1.436 3.816 1.00 0.00 O ATOM 619 CB CYS A 49 -24.351 -1.703 1.486 1.00 0.00 C ATOM 620 SG CYS A 49 -26.033 -1.338 0.884 1.00 0.00 S ATOM 0 H CYS A 49 -22.363 -2.195 2.873 1.00 0.00 H new ATOM 0 HA CYS A 49 -23.665 0.224 2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -23.662 -1.676 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -24.332 -2.719 1.881 1.00 0.00 H new ATOM 625 N GLU A 50 -24.748 0.471 4.418 1.00 0.00 N ATOM 626 CA GLU A 50 -25.652 0.731 5.527 1.00 0.00 C ATOM 627 C GLU A 50 -26.675 1.802 5.170 1.00 0.00 C ATOM 628 O GLU A 50 -26.681 2.326 4.057 1.00 0.00 O ATOM 629 CB GLU A 50 -24.862 1.145 6.767 1.00 0.00 C ATOM 630 CG GLU A 50 -24.605 -0.007 7.722 1.00 0.00 C ATOM 631 CD GLU A 50 -23.210 0.026 8.316 1.00 0.00 C ATOM 632 OE1 GLU A 50 -22.356 0.765 7.784 1.00 0.00 O ATOM 633 OE2 GLU A 50 -22.974 -0.686 9.314 1.00 0.00 O ATOM 0 H GLU A 50 -24.020 1.174 4.292 1.00 0.00 H new ATOM 0 HA GLU A 50 -26.193 -0.190 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.908 1.572 6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -25.407 1.930 7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.339 0.023 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.749 -0.950 7.195 1.00 0.00 H new ATOM 640 N LEU A 51 -27.552 2.104 6.120 1.00 0.00 N ATOM 641 CA LEU A 51 -28.601 3.091 5.907 1.00 0.00 C ATOM 642 C LEU A 51 -28.120 4.493 6.264 1.00 0.00 C ATOM 643 O LEU A 51 -27.124 4.659 6.968 1.00 0.00 O ATOM 644 CB LEU A 51 -29.844 2.728 6.728 1.00 0.00 C ATOM 645 CG LEU A 51 -29.756 3.035 8.224 1.00 0.00 C ATOM 646 CD1 LEU A 51 -29.416 1.779 9.010 1.00 0.00 C ATOM 647 CD2 LEU A 51 -31.065 3.634 8.716 1.00 0.00 C ATOM 0 H LEU A 51 -27.557 1.678 7.047 1.00 0.00 H new ATOM 0 HA LEU A 51 -28.861 3.085 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -30.700 3.262 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -30.042 1.663 6.604 1.00 0.00 H new ATOM 0 HG LEU A 51 -28.959 3.762 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -29.358 2.019 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -30.190 1.028 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -28.456 1.388 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -30.989 3.848 9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -31.269 4.558 8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -31.876 2.926 8.545 1.00 0.00 H new ATOM 709 N MET A 57 -30.293 4.557 2.158 1.00 0.00 N ATOM 710 CA MET A 57 -29.196 3.617 1.970 1.00 0.00 C ATOM 711 C MET A 57 -27.930 4.353 1.555 1.00 0.00 C ATOM 712 O MET A 57 -27.924 5.098 0.575 1.00 0.00 O ATOM 713 CB MET A 57 -29.545 2.545 0.927 1.00 0.00 C ATOM 714 CG MET A 57 -30.824 2.811 0.149 1.00 0.00 C ATOM 715 SD MET A 57 -31.489 1.325 -0.626 1.00 0.00 S ATOM 716 CE MET A 57 -32.477 0.660 0.712 1.00 0.00 C ATOM 0 HA MET A 57 -29.024 3.118 2.924 1.00 0.00 H new ATOM 0 HB2 MET A 57 -28.718 2.460 0.222 1.00 0.00 H new ATOM 0 HB3 MET A 57 -29.635 1.583 1.431 1.00 0.00 H new ATOM 0 HG2 MET A 57 -31.572 3.231 0.821 1.00 0.00 H new ATOM 0 HG3 MET A 57 -30.628 3.560 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 57 -32.955 -0.264 0.387 1.00 0.00 H new ATOM 0 HE2 MET A 57 -31.837 0.455 1.570 1.00 0.00 H new ATOM 0 HE3 MET A 57 -33.241 1.384 0.994 1.00 0.00 H new ATOM 726 N VAL A 58 -26.863 4.150 2.316 1.00 0.00 N ATOM 727 CA VAL A 58 -25.595 4.806 2.040 1.00 0.00 C ATOM 728 C VAL A 58 -24.426 3.858 2.258 1.00 0.00 C ATOM 729 O VAL A 58 -24.571 2.803 2.874 1.00 0.00 O ATOM 730 CB VAL A 58 -25.400 6.040 2.937 1.00 0.00 C ATOM 731 CG1 VAL A 58 -26.237 7.207 2.437 1.00 0.00 C ATOM 732 CG2 VAL A 58 -25.748 5.699 4.376 1.00 0.00 C ATOM 0 H VAL A 58 -26.852 3.535 3.130 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.622 5.116 0.995 1.00 0.00 H new ATOM 0 HB VAL A 58 -24.353 6.340 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -26.084 8.069 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -25.937 7.461 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -27.291 6.929 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -25.607 6.579 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -26.788 5.377 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -25.100 4.896 4.727 1.00 0.00 H new ATOM 742 N TRP A 59 -23.263 4.254 1.760 1.00 0.00 N ATOM 743 CA TRP A 59 -22.055 3.461 1.920 1.00 0.00 C ATOM 744 C TRP A 59 -21.180 4.053 3.015 1.00 0.00 C ATOM 745 O TRP A 59 -20.892 5.250 3.013 1.00 0.00 O ATOM 746 CB TRP A 59 -21.292 3.392 0.601 1.00 0.00 C ATOM 747 CG TRP A 59 -21.942 2.491 -0.401 1.00 0.00 C ATOM 748 CD1 TRP A 59 -22.762 2.861 -1.429 1.00 0.00 C ATOM 749 CD2 TRP A 59 -21.843 1.065 -0.458 1.00 0.00 C ATOM 750 NE1 TRP A 59 -23.167 1.751 -2.130 1.00 0.00 N ATOM 751 CE2 TRP A 59 -22.618 0.636 -1.550 1.00 0.00 C ATOM 752 CE3 TRP A 59 -21.169 0.110 0.308 1.00 0.00 C ATOM 753 CZ2 TRP A 59 -22.738 -0.709 -1.892 1.00 0.00 C ATOM 754 CZ3 TRP A 59 -21.286 -1.221 -0.037 1.00 0.00 C ATOM 755 CH2 TRP A 59 -22.056 -1.618 -1.130 1.00 0.00 C ATOM 0 H TRP A 59 -23.132 5.122 1.241 1.00 0.00 H new ATOM 0 HA TRP A 59 -22.333 2.448 2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -21.210 4.395 0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -20.277 3.043 0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -23.050 3.877 -1.657 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -23.776 1.755 -2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -20.568 0.408 1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -23.347 -1.023 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.772 -1.968 0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -22.115 -2.667 -1.381 1.00 0.00 H new ATOM 766 N ASN A 60 -20.790 3.219 3.970 1.00 0.00 N ATOM 767 CA ASN A 60 -20.007 3.682 5.106 1.00 0.00 C ATOM 768 C ASN A 60 -19.273 2.513 5.772 1.00 0.00 C ATOM 769 O ASN A 60 -19.892 1.501 6.096 1.00 0.00 O ATOM 770 CB ASN A 60 -20.948 4.370 6.100 1.00 0.00 C ATOM 771 CG ASN A 60 -20.315 4.637 7.449 1.00 0.00 C ATOM 772 OD1 ASN A 60 -19.096 4.575 7.604 1.00 0.00 O ATOM 773 ND2 ASN A 60 -21.152 4.934 8.433 1.00 0.00 N ATOM 0 H ASN A 60 -21.003 2.221 3.980 1.00 0.00 H new ATOM 0 HA ASN A 60 -19.252 4.391 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.286 5.314 5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.833 3.749 6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.793 5.123 9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.156 4.973 8.255 1.00 0.00 H new ATOM 780 N PRO A 61 -17.941 2.614 5.973 1.00 0.00 N ATOM 781 CA PRO A 61 -17.138 3.794 5.619 1.00 0.00 C ATOM 782 C PRO A 61 -17.017 3.993 4.111 1.00 0.00 C ATOM 783 O PRO A 61 -17.665 3.297 3.329 1.00 0.00 O ATOM 784 CB PRO A 61 -15.759 3.492 6.226 1.00 0.00 C ATOM 785 CG PRO A 61 -15.990 2.379 7.187 1.00 0.00 C ATOM 786 CD PRO A 61 -17.112 1.580 6.604 1.00 0.00 C ATOM 0 HA PRO A 61 -17.593 4.712 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -15.044 3.204 5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -15.350 4.368 6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.094 1.770 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.250 2.760 8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -16.756 0.847 5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.660 1.031 7.370 1.00 0.00 H new ATOM 794 N GLU A 62 -16.211 4.971 3.715 1.00 0.00 N ATOM 795 CA GLU A 62 -16.025 5.298 2.314 1.00 0.00 C ATOM 796 C GLU A 62 -14.615 4.925 1.842 1.00 0.00 C ATOM 797 O GLU A 62 -13.998 4.004 2.376 1.00 0.00 O ATOM 798 CB GLU A 62 -16.288 6.787 2.110 1.00 0.00 C ATOM 799 CG GLU A 62 -17.554 7.282 2.786 1.00 0.00 C ATOM 800 CD GLU A 62 -17.299 7.834 4.174 1.00 0.00 C ATOM 801 OE1 GLU A 62 -16.871 7.056 5.053 1.00 0.00 O ATOM 802 OE2 GLU A 62 -17.527 9.044 4.384 1.00 0.00 O ATOM 0 H GLU A 62 -15.672 5.555 4.355 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.730 4.720 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.438 7.353 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.353 6.992 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.011 8.056 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.270 6.463 2.851 1.00 0.00 H new ATOM 809 N ALA A 63 -14.117 5.642 0.835 1.00 0.00 N ATOM 810 CA ALA A 63 -12.791 5.389 0.285 1.00 0.00 C ATOM 811 C ALA A 63 -11.697 5.913 1.217 1.00 0.00 C ATOM 812 O ALA A 63 -11.532 7.123 1.370 1.00 0.00 O ATOM 813 CB ALA A 63 -12.664 6.033 -1.086 1.00 0.00 C ATOM 0 H ALA A 63 -14.618 6.407 0.383 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.664 4.311 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.670 5.838 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.415 5.614 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.816 7.109 -0.998 1.00 0.00 H new ATOM 819 N PRO A 64 -10.925 5.008 1.844 1.00 0.00 N ATOM 820 CA PRO A 64 -9.843 5.385 2.766 1.00 0.00 C ATOM 821 C PRO A 64 -8.701 6.106 2.051 1.00 0.00 C ATOM 822 O PRO A 64 -8.934 6.865 1.110 1.00 0.00 O ATOM 823 CB PRO A 64 -9.375 4.041 3.340 1.00 0.00 C ATOM 824 CG PRO A 64 -10.473 3.085 3.027 1.00 0.00 C ATOM 825 CD PRO A 64 -11.048 3.549 1.729 1.00 0.00 C ATOM 0 HA PRO A 64 -10.179 6.086 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.435 3.724 2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.205 4.109 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.095 2.066 2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.228 3.084 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.494 3.159 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.085 3.235 1.607 1.00 0.00 H new ATOM 833 N ILE A 65 -7.469 5.886 2.509 1.00 0.00 N ATOM 834 CA ILE A 65 -6.311 6.544 1.918 1.00 0.00 C ATOM 835 C ILE A 65 -5.491 5.573 1.079 1.00 0.00 C ATOM 836 O ILE A 65 -5.652 4.361 1.185 1.00 0.00 O ATOM 837 CB ILE A 65 -5.396 7.156 2.991 1.00 0.00 C ATOM 838 CG1 ILE A 65 -6.215 7.687 4.170 1.00 0.00 C ATOM 839 CG2 ILE A 65 -4.548 8.260 2.388 1.00 0.00 C ATOM 840 CD1 ILE A 65 -7.016 8.927 3.841 1.00 0.00 C ATOM 0 H ILE A 65 -7.251 5.260 3.284 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.701 7.339 1.282 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.736 6.374 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.894 6.906 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.542 7.908 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.904 8.686 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.933 7.850 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.196 9.038 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.571 9.246 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.341 9.724 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.714 8.706 3.034 1.00 0.00 H new ATOM 852 N CYS A 66 -4.594 6.114 0.262 1.00 0.00 N ATOM 853 CA CYS A 66 -3.742 5.292 -0.587 1.00 0.00 C ATOM 854 C CYS A 66 -2.563 6.100 -1.121 1.00 0.00 C ATOM 855 O CYS A 66 -2.747 7.145 -1.746 1.00 0.00 O ATOM 856 CB CYS A 66 -4.551 4.719 -1.751 1.00 0.00 C ATOM 857 SG CYS A 66 -5.011 2.967 -1.547 1.00 0.00 S ATOM 0 H CYS A 66 -4.439 7.118 0.170 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.353 4.472 0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.459 5.310 -1.874 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.973 4.827 -2.669 1.00 0.00 H new ATOM 862 N GLU A 67 -1.354 5.608 -0.872 1.00 0.00 N ATOM 863 CA GLU A 67 -0.144 6.283 -1.328 1.00 0.00 C ATOM 864 C GLU A 67 0.919 5.273 -1.745 1.00 0.00 C ATOM 865 O GLU A 67 0.700 4.064 -1.678 1.00 0.00 O ATOM 866 CB GLU A 67 0.403 7.192 -0.226 1.00 0.00 C ATOM 867 CG GLU A 67 0.831 8.563 -0.723 1.00 0.00 C ATOM 868 CD GLU A 67 1.041 9.553 0.405 1.00 0.00 C ATOM 869 OE1 GLU A 67 2.197 9.977 0.615 1.00 0.00 O ATOM 870 OE2 GLU A 67 0.050 9.905 1.079 1.00 0.00 O ATOM 0 H GLU A 67 -1.186 4.744 -0.357 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.402 6.890 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.360 7.316 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.256 6.704 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.755 8.466 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.074 8.950 -1.405 1.00 0.00 H new ATOM 877 N SER A 68 2.072 5.776 -2.173 1.00 0.00 N ATOM 878 CA SER A 68 3.169 4.917 -2.603 1.00 0.00 C ATOM 879 C SER A 68 4.036 4.499 -1.420 1.00 0.00 C ATOM 880 O SER A 68 4.625 5.337 -0.738 1.00 0.00 O ATOM 881 CB SER A 68 4.020 5.631 -3.658 1.00 0.00 C ATOM 882 OG SER A 68 5.147 6.261 -3.074 1.00 0.00 O ATOM 0 H SER A 68 2.271 6.775 -2.231 1.00 0.00 H new ATOM 0 HA SER A 68 2.741 4.017 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.351 4.912 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.413 6.374 -4.175 1.00 0.00 H new ATOM 0 HG SER A 68 4.991 6.387 -2.115 1.00 0.00 H new ATOM 888 N VAL A 69 4.109 3.193 -1.190 1.00 0.00 N ATOM 889 CA VAL A 69 4.902 2.646 -0.099 1.00 0.00 C ATOM 890 C VAL A 69 6.311 3.227 -0.094 1.00 0.00 C ATOM 891 O VAL A 69 7.194 2.743 -0.803 1.00 0.00 O ATOM 892 CB VAL A 69 5.000 1.117 -0.202 1.00 0.00 C ATOM 893 CG1 VAL A 69 5.486 0.723 -1.584 1.00 0.00 C ATOM 894 CG2 VAL A 69 3.661 0.470 0.106 1.00 0.00 C ATOM 0 H VAL A 69 3.625 2.491 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 69 4.397 2.918 0.828 1.00 0.00 H new ATOM 0 HB VAL A 69 5.719 0.760 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.553 -0.363 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.785 1.090 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.469 1.159 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.754 -0.613 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.353 0.735 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.914 0.823 -0.605 1.00 0.00 H new ATOM 904 N LYS A 70 6.520 4.256 0.716 1.00 0.00 N ATOM 905 CA LYS A 70 7.827 4.894 0.813 1.00 0.00 C ATOM 906 C LYS A 70 8.822 3.988 1.533 1.00 0.00 C ATOM 907 O LYS A 70 8.475 3.329 2.514 1.00 0.00 O ATOM 908 CB LYS A 70 7.715 6.230 1.550 1.00 0.00 C ATOM 909 CG LYS A 70 7.471 7.415 0.631 1.00 0.00 C ATOM 910 CD LYS A 70 8.745 8.209 0.393 1.00 0.00 C ATOM 911 CE LYS A 70 8.469 9.495 -0.368 1.00 0.00 C ATOM 912 NZ LYS A 70 8.534 10.692 0.516 1.00 0.00 N ATOM 0 H LYS A 70 5.803 4.667 1.315 1.00 0.00 H new ATOM 0 HA LYS A 70 8.190 5.074 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.902 6.169 2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.632 6.402 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.078 7.062 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.713 8.065 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.212 8.445 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.455 7.600 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.194 9.601 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.483 9.438 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.340 11.547 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.825 10.604 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.482 10.762 0.937 1.00 0.00 H new ATOM 926 N CYS A 71 10.058 3.956 1.043 1.00 0.00 N ATOM 927 CA CYS A 71 11.097 3.134 1.653 1.00 0.00 C ATOM 928 C CYS A 71 12.216 4.001 2.204 1.00 0.00 C ATOM 929 O CYS A 71 12.836 4.774 1.473 1.00 0.00 O ATOM 930 CB CYS A 71 11.682 2.133 0.651 1.00 0.00 C ATOM 931 SG CYS A 71 10.589 1.710 -0.750 1.00 0.00 S ATOM 0 H CYS A 71 10.363 4.488 0.228 1.00 0.00 H new ATOM 0 HA CYS A 71 10.630 2.581 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.613 2.540 0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.936 1.216 1.183 1.00 0.00 H new ATOM 936 N GLN A 72 12.549 3.776 3.463 1.00 0.00 N ATOM 937 CA GLN A 72 13.550 4.545 4.135 1.00 0.00 C ATOM 938 C GLN A 72 14.937 4.322 3.587 1.00 0.00 C ATOM 939 O GLN A 72 15.142 3.604 2.614 1.00 0.00 O ATOM 940 CB GLN A 72 13.542 4.156 5.613 1.00 0.00 C ATOM 941 CG GLN A 72 13.253 5.328 6.489 1.00 0.00 C ATOM 942 CD GLN A 72 11.957 5.186 7.262 1.00 0.00 C ATOM 943 OE1 GLN A 72 11.949 5.196 8.493 1.00 0.00 O ATOM 944 NE2 GLN A 72 10.850 5.051 6.540 1.00 0.00 N ATOM 0 H GLN A 72 12.124 3.049 4.039 1.00 0.00 H new ATOM 0 HA GLN A 72 13.310 5.598 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.793 3.382 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.508 3.729 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.076 5.461 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.208 6.229 5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.903 5.048 5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.947 4.950 7.004 1.00 0.00 H new ATOM 953 N SER A 73 15.888 4.951 4.253 1.00 0.00 N ATOM 954 CA SER A 73 17.284 4.805 3.934 1.00 0.00 C ATOM 955 C SER A 73 17.642 3.321 3.881 1.00 0.00 C ATOM 956 O SER A 73 17.432 2.596 4.854 1.00 0.00 O ATOM 957 CB SER A 73 18.081 5.528 5.014 1.00 0.00 C ATOM 958 OG SER A 73 19.257 4.820 5.368 1.00 0.00 O ATOM 0 H SER A 73 15.705 5.580 5.035 1.00 0.00 H new ATOM 0 HA SER A 73 17.515 5.236 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.349 6.524 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.457 5.660 5.898 1.00 0.00 H new ATOM 0 HG SER A 73 20.027 5.212 4.905 1.00 0.00 H new ATOM 964 N PRO A 74 18.102 2.823 2.723 1.00 0.00 N ATOM 965 CA PRO A 74 18.400 1.406 2.554 1.00 0.00 C ATOM 966 C PRO A 74 19.110 0.811 3.769 1.00 0.00 C ATOM 967 O PRO A 74 19.729 1.530 4.554 1.00 0.00 O ATOM 968 CB PRO A 74 19.288 1.361 1.315 1.00 0.00 C ATOM 969 CG PRO A 74 18.977 2.606 0.546 1.00 0.00 C ATOM 970 CD PRO A 74 18.354 3.597 1.498 1.00 0.00 C ATOM 0 HA PRO A 74 17.493 0.811 2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 74 20.342 1.324 1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 74 19.083 0.472 0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 74 19.885 3.019 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 74 18.295 2.386 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 74 19.022 4.437 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 74 17.430 4.010 1.093 1.00 0.00 H new ATOM 978 N PRO A 75 18.979 -0.511 3.966 1.00 0.00 N ATOM 979 CA PRO A 75 19.588 -1.211 5.102 1.00 0.00 C ATOM 980 C PRO A 75 21.036 -0.803 5.341 1.00 0.00 C ATOM 981 O PRO A 75 21.714 -0.315 4.437 1.00 0.00 O ATOM 982 CB PRO A 75 19.502 -2.679 4.689 1.00 0.00 C ATOM 983 CG PRO A 75 18.301 -2.746 3.810 1.00 0.00 C ATOM 984 CD PRO A 75 18.250 -1.434 3.076 1.00 0.00 C ATOM 0 HA PRO A 75 19.082 -0.983 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 75 20.400 -2.996 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.397 -3.330 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.374 -3.581 3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.396 -2.900 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.723 -1.504 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.224 -1.106 2.912 1.00 0.00 H new ATOM 992 N SER A 76 21.500 -1.003 6.570 1.00 0.00 N ATOM 993 CA SER A 76 22.866 -0.658 6.940 1.00 0.00 C ATOM 994 C SER A 76 23.701 -1.913 7.162 1.00 0.00 C ATOM 995 O SER A 76 23.769 -2.438 8.273 1.00 0.00 O ATOM 996 CB SER A 76 22.871 0.202 8.204 1.00 0.00 C ATOM 997 OG SER A 76 21.622 0.845 8.390 1.00 0.00 O ATOM 0 H SER A 76 20.947 -1.404 7.328 1.00 0.00 H new ATOM 0 HA SER A 76 23.307 -0.090 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.095 -0.421 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.661 0.949 8.136 1.00 0.00 H new ATOM 0 HG SER A 76 21.651 1.387 9.206 1.00 0.00 H new ATOM 1003 N ILE A 77 24.344 -2.380 6.100 1.00 0.00 N ATOM 1004 CA ILE A 77 25.170 -3.581 6.171 1.00 0.00 C ATOM 1005 C ILE A 77 26.430 -3.340 6.992 1.00 0.00 C ATOM 1006 O ILE A 77 26.733 -2.207 7.367 1.00 0.00 O ATOM 1007 CB ILE A 77 25.578 -4.062 4.767 1.00 0.00 C ATOM 1008 CG1 ILE A 77 26.444 -3.008 4.072 1.00 0.00 C ATOM 1009 CG2 ILE A 77 24.343 -4.378 3.940 1.00 0.00 C ATOM 1010 CD1 ILE A 77 27.290 -3.567 2.948 1.00 0.00 C ATOM 0 H ILE A 77 24.310 -1.946 5.178 1.00 0.00 H new ATOM 0 HA ILE A 77 24.566 -4.348 6.655 1.00 0.00 H new ATOM 0 HB ILE A 77 26.167 -4.974 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 77 25.799 -2.224 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 77 27.097 -2.541 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.646 -4.717 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 77 23.767 -5.162 4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.730 -3.482 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 77 27.877 -2.765 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 77 27.960 -4.331 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 77 26.643 -4.008 2.190 1.00 0.00 H new ATOM 1022 N SER A 78 27.163 -4.414 7.260 1.00 0.00 N ATOM 1023 CA SER A 78 28.401 -4.323 8.022 1.00 0.00 C ATOM 1024 C SER A 78 29.582 -4.047 7.100 1.00 0.00 C ATOM 1025 O SER A 78 29.699 -4.643 6.029 1.00 0.00 O ATOM 1026 CB SER A 78 28.643 -5.612 8.806 1.00 0.00 C ATOM 1027 OG SER A 78 28.180 -6.742 8.087 1.00 0.00 O ATOM 0 H SER A 78 26.921 -5.358 6.960 1.00 0.00 H new ATOM 0 HA SER A 78 28.306 -3.495 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.708 -5.720 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.135 -5.556 9.769 1.00 0.00 H new ATOM 0 HG SER A 78 28.348 -7.554 8.610 1.00 0.00 H new ATOM 1033 N ASN A 79 30.453 -3.139 7.520 1.00 0.00 N ATOM 1034 CA ASN A 79 31.623 -2.775 6.728 1.00 0.00 C ATOM 1035 C ASN A 79 31.201 -2.077 5.442 1.00 0.00 C ATOM 1036 O ASN A 79 31.912 -2.116 4.438 1.00 0.00 O ATOM 1037 CB ASN A 79 32.478 -4.008 6.388 1.00 0.00 C ATOM 1038 CG ASN A 79 32.270 -5.170 7.328 1.00 0.00 C ATOM 1039 OD1 ASN A 79 32.263 -6.329 6.912 1.00 0.00 O ATOM 1040 ND2 ASN A 79 32.111 -4.868 8.599 1.00 0.00 N ATOM 0 H ASN A 79 30.372 -2.640 8.406 1.00 0.00 H new ATOM 0 HA ASN A 79 32.225 -2.093 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 79 32.249 -4.329 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 79 33.530 -3.724 6.403 1.00 0.00 H new ATOM 0 HD21 ASN A 79 31.975 -5.609 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 79 32.124 -3.893 8.897 1.00 0.00 H new ATOM 1047 N GLY A 80 30.036 -1.440 5.480 1.00 0.00 N ATOM 1048 CA GLY A 80 29.536 -0.741 4.314 1.00 0.00 C ATOM 1049 C GLY A 80 28.173 -0.121 4.546 1.00 0.00 C ATOM 1050 O GLY A 80 27.618 -0.209 5.641 1.00 0.00 O ATOM 0 H GLY A 80 29.429 -1.396 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 80 30.243 0.039 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 80 29.477 -1.436 3.476 1.00 0.00 H new ATOM 1054 N ARG A 81 27.638 0.514 3.510 1.00 0.00 N ATOM 1055 CA ARG A 81 26.338 1.161 3.592 1.00 0.00 C ATOM 1056 C ARG A 81 25.869 1.596 2.213 1.00 0.00 C ATOM 1057 O ARG A 81 26.526 1.325 1.211 1.00 0.00 O ATOM 1058 CB ARG A 81 26.395 2.367 4.525 1.00 0.00 C ATOM 1059 CG ARG A 81 27.729 3.091 4.522 1.00 0.00 C ATOM 1060 CD ARG A 81 27.879 3.951 5.762 1.00 0.00 C ATOM 1061 NE ARG A 81 28.941 3.468 6.638 1.00 0.00 N ATOM 1062 CZ ARG A 81 29.415 4.155 7.673 1.00 0.00 C ATOM 1063 NH1 ARG A 81 28.921 5.351 7.960 1.00 0.00 N ATOM 1064 NH2 ARG A 81 30.384 3.646 8.421 1.00 0.00 N ATOM 0 H ARG A 81 28.089 0.594 2.599 1.00 0.00 H new ATOM 0 HA ARG A 81 25.627 0.439 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 81 25.612 3.070 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 81 26.175 2.038 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 81 28.541 2.366 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 81 27.808 3.714 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 81 28.092 4.978 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 81 26.936 3.965 6.309 1.00 0.00 H new ATOM 0 HE ARG A 81 29.343 2.551 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 81 28.176 5.746 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 81 29.286 5.876 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 81 30.767 2.726 8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 81 30.747 4.174 9.215 1.00 0.00 H new ATOM 1078 N HIS A 82 24.734 2.275 2.166 1.00 0.00 N ATOM 1079 CA HIS A 82 24.186 2.748 0.903 1.00 0.00 C ATOM 1080 C HIS A 82 24.596 4.190 0.635 1.00 0.00 C ATOM 1081 O HIS A 82 25.130 4.867 1.513 1.00 0.00 O ATOM 1082 CB HIS A 82 22.665 2.633 0.907 1.00 0.00 C ATOM 1083 CG HIS A 82 22.016 3.335 2.058 1.00 0.00 C ATOM 1084 ND1 HIS A 82 21.934 2.791 3.323 1.00 0.00 N ATOM 1085 CD2 HIS A 82 21.425 4.552 2.135 1.00 0.00 C ATOM 1086 CE1 HIS A 82 21.317 3.640 4.126 1.00 0.00 C ATOM 1087 NE2 HIS A 82 20.997 4.714 3.429 1.00 0.00 N ATOM 0 H HIS A 82 24.175 2.511 2.986 1.00 0.00 H new ATOM 0 HA HIS A 82 24.589 2.122 0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 82 22.275 3.043 -0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 82 22.388 1.579 0.932 1.00 0.00 H new ATOM 0 HD1 HIS A 82 22.293 1.876 3.596 1.00 0.00 H new ATOM 0 HD2 HIS A 82 21.312 5.262 1.329 1.00 0.00 H new ATOM 0 HE1 HIS A 82 21.110 3.482 5.174 1.00 0.00 H new ATOM 1096 N ASN A 83 24.349 4.653 -0.585 1.00 0.00 N ATOM 1097 CA ASN A 83 24.685 6.025 -0.958 1.00 0.00 C ATOM 1098 C ASN A 83 23.429 6.885 -1.037 1.00 0.00 C ATOM 1099 O ASN A 83 23.188 7.729 -0.173 1.00 0.00 O ATOM 1100 CB ASN A 83 25.437 6.065 -2.295 1.00 0.00 C ATOM 1101 CG ASN A 83 25.005 4.971 -3.251 1.00 0.00 C ATOM 1102 OD1 ASN A 83 23.948 4.363 -3.081 1.00 0.00 O ATOM 1103 ND2 ASN A 83 25.824 4.712 -4.264 1.00 0.00 N ATOM 0 H ASN A 83 23.920 4.104 -1.330 1.00 0.00 H new ATOM 0 HA ASN A 83 25.338 6.429 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 83 25.278 7.035 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 83 26.507 5.974 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 83 25.587 3.985 -4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 83 26.690 5.240 -4.367 1.00 0.00 H new ATOM 1165 N PHE A 88 14.305 9.720 1.159 1.00 0.00 N ATOM 1166 CA PHE A 88 13.320 8.647 1.127 1.00 0.00 C ATOM 1167 C PHE A 88 13.260 8.007 -0.255 1.00 0.00 C ATOM 1168 O PHE A 88 13.927 8.457 -1.187 1.00 0.00 O ATOM 1169 CB PHE A 88 11.943 9.180 1.519 1.00 0.00 C ATOM 1170 CG PHE A 88 11.635 9.012 2.974 1.00 0.00 C ATOM 1171 CD1 PHE A 88 10.825 7.976 3.403 1.00 0.00 C ATOM 1172 CD2 PHE A 88 12.160 9.883 3.911 1.00 0.00 C ATOM 1173 CE1 PHE A 88 10.540 7.813 4.742 1.00 0.00 C ATOM 1174 CE2 PHE A 88 11.880 9.726 5.253 1.00 0.00 C ATOM 1175 CZ PHE A 88 11.069 8.689 5.671 1.00 0.00 C ATOM 0 HA PHE A 88 13.623 7.886 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.884 10.238 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.182 8.666 0.932 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.411 7.287 2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.796 10.695 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.904 7.002 5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 88 12.295 10.413 5.976 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.849 8.563 6.721 1.00 0.00 H new ATOM 1185 N TYR A 89 12.468 6.947 -0.379 1.00 0.00 N ATOM 1186 CA TYR A 89 12.336 6.241 -1.647 1.00 0.00 C ATOM 1187 C TYR A 89 10.922 5.710 -1.830 1.00 0.00 C ATOM 1188 O TYR A 89 10.144 5.661 -0.882 1.00 0.00 O ATOM 1189 CB TYR A 89 13.345 5.094 -1.717 1.00 0.00 C ATOM 1190 CG TYR A 89 14.772 5.545 -1.516 1.00 0.00 C ATOM 1191 CD1 TYR A 89 15.633 5.672 -2.596 1.00 0.00 C ATOM 1192 CD2 TYR A 89 15.249 5.873 -0.252 1.00 0.00 C ATOM 1193 CE1 TYR A 89 16.938 6.089 -2.421 1.00 0.00 C ATOM 1194 CE2 TYR A 89 16.554 6.281 -0.068 1.00 0.00 C ATOM 1195 CZ TYR A 89 17.392 6.393 -1.155 1.00 0.00 C ATOM 1196 OH TYR A 89 18.688 6.809 -0.976 1.00 0.00 O ATOM 0 H TYR A 89 11.909 6.559 0.381 1.00 0.00 H new ATOM 0 HA TYR A 89 12.541 6.945 -2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 89 13.095 4.352 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 89 13.259 4.602 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 89 15.277 5.441 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 89 14.588 5.807 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.599 6.176 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.916 6.511 0.923 1.00 0.00 H new ATOM 0 HH TYR A 89 18.847 6.983 -0.025 1.00 0.00 H new ATOM 1206 N THR A 90 10.593 5.325 -3.058 1.00 0.00 N ATOM 1207 CA THR A 90 9.260 4.821 -3.363 1.00 0.00 C ATOM 1208 C THR A 90 9.323 3.505 -4.129 1.00 0.00 C ATOM 1209 O THR A 90 10.358 3.148 -4.692 1.00 0.00 O ATOM 1210 CB THR A 90 8.478 5.856 -4.172 1.00 0.00 C ATOM 1211 OG1 THR A 90 9.283 6.398 -5.204 1.00 0.00 O ATOM 1212 CG2 THR A 90 7.970 7.005 -3.331 1.00 0.00 C ATOM 0 H THR A 90 11.229 5.352 -3.855 1.00 0.00 H new ATOM 0 HA THR A 90 8.749 4.638 -2.418 1.00 0.00 H new ATOM 0 HB THR A 90 7.622 5.320 -4.583 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.765 7.057 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.424 7.705 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.307 6.623 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.813 7.517 -2.867 1.00 0.00 H new ATOM 1220 N ASP A 91 8.201 2.793 -4.149 1.00 0.00 N ATOM 1221 CA ASP A 91 8.114 1.515 -4.840 1.00 0.00 C ATOM 1222 C ASP A 91 8.640 1.627 -6.260 1.00 0.00 C ATOM 1223 O ASP A 91 7.920 2.016 -7.179 1.00 0.00 O ATOM 1224 CB ASP A 91 6.673 1.010 -4.859 1.00 0.00 C ATOM 1225 CG ASP A 91 5.682 2.099 -5.221 1.00 0.00 C ATOM 1226 OD1 ASP A 91 5.259 2.843 -4.311 1.00 0.00 O ATOM 1227 OD2 ASP A 91 5.327 2.206 -6.413 1.00 0.00 O ATOM 0 H ASP A 91 7.336 3.083 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 91 8.732 0.801 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.587 0.192 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.420 0.604 -3.879 1.00 0.00 H new ATOM 1232 N GLY A 92 9.904 1.281 -6.423 1.00 0.00 N ATOM 1233 CA GLY A 92 10.522 1.317 -7.731 1.00 0.00 C ATOM 1234 C GLY A 92 11.807 2.125 -7.761 1.00 0.00 C ATOM 1235 O GLY A 92 12.186 2.654 -8.806 1.00 0.00 O ATOM 0 H GLY A 92 10.518 0.974 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.733 0.298 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.818 1.739 -8.448 1.00 0.00 H new ATOM 1239 N SER A 93 12.483 2.221 -6.619 1.00 0.00 N ATOM 1240 CA SER A 93 13.740 2.956 -6.540 1.00 0.00 C ATOM 1241 C SER A 93 14.909 1.999 -6.334 1.00 0.00 C ATOM 1242 O SER A 93 14.719 0.851 -5.937 1.00 0.00 O ATOM 1243 CB SER A 93 13.695 3.980 -5.402 1.00 0.00 C ATOM 1244 OG SER A 93 12.378 4.466 -5.205 1.00 0.00 O ATOM 0 H SER A 93 12.182 1.801 -5.740 1.00 0.00 H new ATOM 0 HA SER A 93 13.883 3.485 -7.482 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.058 3.522 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.362 4.811 -5.630 1.00 0.00 H new ATOM 0 HG SER A 93 11.831 3.768 -4.788 1.00 0.00 H new ATOM 1250 N VAL A 94 16.118 2.475 -6.612 1.00 0.00 N ATOM 1251 CA VAL A 94 17.311 1.654 -6.454 1.00 0.00 C ATOM 1252 C VAL A 94 18.426 2.434 -5.761 1.00 0.00 C ATOM 1253 O VAL A 94 18.441 3.665 -5.771 1.00 0.00 O ATOM 1254 CB VAL A 94 17.819 1.132 -7.816 1.00 0.00 C ATOM 1255 CG1 VAL A 94 16.760 0.268 -8.482 1.00 0.00 C ATOM 1256 CG2 VAL A 94 19.117 0.352 -7.652 1.00 0.00 C ATOM 0 H VAL A 94 16.297 3.422 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 94 17.033 0.802 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 94 18.020 1.992 -8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.134 -0.092 -9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.528 -0.582 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.858 0.858 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.453 -0.004 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 94 19.879 1.001 -7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.949 -0.499 -6.992 1.00 0.00 H new ATOM 1266 N VAL A 95 19.357 1.700 -5.163 1.00 0.00 N ATOM 1267 CA VAL A 95 20.489 2.301 -4.469 1.00 0.00 C ATOM 1268 C VAL A 95 21.705 1.391 -4.556 1.00 0.00 C ATOM 1269 O VAL A 95 21.572 0.168 -4.616 1.00 0.00 O ATOM 1270 CB VAL A 95 20.167 2.573 -2.990 1.00 0.00 C ATOM 1271 CG1 VAL A 95 21.291 3.346 -2.324 1.00 0.00 C ATOM 1272 CG2 VAL A 95 18.855 3.327 -2.862 1.00 0.00 C ATOM 0 H VAL A 95 19.349 0.680 -5.145 1.00 0.00 H new ATOM 0 HA VAL A 95 20.702 3.252 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 95 20.068 1.614 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 95 21.039 3.526 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 95 22.213 2.768 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 95 21.428 4.300 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 95 18.642 3.511 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 95 18.929 4.278 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 95 18.050 2.733 -3.296 1.00 0.00 H new ATOM 1282 N THR A 96 22.885 1.989 -4.585 1.00 0.00 N ATOM 1283 CA THR A 96 24.117 1.222 -4.681 1.00 0.00 C ATOM 1284 C THR A 96 24.897 1.274 -3.379 1.00 0.00 C ATOM 1285 O THR A 96 25.282 2.342 -2.906 1.00 0.00 O ATOM 1286 CB THR A 96 24.980 1.736 -5.834 1.00 0.00 C ATOM 1287 OG1 THR A 96 24.407 2.897 -6.410 1.00 0.00 O ATOM 1288 CG2 THR A 96 25.167 0.718 -6.937 1.00 0.00 C ATOM 0 H THR A 96 23.016 3.000 -4.544 1.00 0.00 H new ATOM 0 HA THR A 96 23.850 0.184 -4.877 1.00 0.00 H new ATOM 0 HB THR A 96 25.953 1.955 -5.394 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.974 3.212 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 96 25.788 1.145 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 96 25.652 -0.171 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 96 24.195 0.445 -7.349 1.00 0.00 H new ATOM 1296 N TYR A 97 25.130 0.103 -2.810 1.00 0.00 N ATOM 1297 CA TYR A 97 25.838 -0.009 -1.548 1.00 0.00 C ATOM 1298 C TYR A 97 27.341 0.166 -1.728 1.00 0.00 C ATOM 1299 O TYR A 97 27.878 -0.009 -2.822 1.00 0.00 O ATOM 1300 CB TYR A 97 25.532 -1.361 -0.911 1.00 0.00 C ATOM 1301 CG TYR A 97 24.301 -1.340 -0.046 1.00 0.00 C ATOM 1302 CD1 TYR A 97 24.327 -1.853 1.242 1.00 0.00 C ATOM 1303 CD2 TYR A 97 23.111 -0.799 -0.516 1.00 0.00 C ATOM 1304 CE1 TYR A 97 23.200 -1.831 2.037 1.00 0.00 C ATOM 1305 CE2 TYR A 97 21.984 -0.772 0.274 1.00 0.00 C ATOM 1306 CZ TYR A 97 22.031 -1.297 1.546 1.00 0.00 C ATOM 1307 OH TYR A 97 20.914 -1.261 2.339 1.00 0.00 O ATOM 0 H TYR A 97 24.836 -0.789 -3.207 1.00 0.00 H new ATOM 0 HA TYR A 97 25.495 0.791 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 97 25.404 -2.106 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 97 26.386 -1.675 -0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 97 25.243 -2.276 1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 97 23.069 -0.394 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 97 23.235 -2.231 3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 97 21.068 -0.341 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 97 21.012 -0.554 3.011 1.00 0.00 H new ATOM 1317 N SER A 98 28.016 0.528 -0.645 1.00 0.00 N ATOM 1318 CA SER A 98 29.461 0.730 -0.686 1.00 0.00 C ATOM 1319 C SER A 98 30.096 0.518 0.686 1.00 0.00 C ATOM 1320 O SER A 98 29.566 0.961 1.705 1.00 0.00 O ATOM 1321 CB SER A 98 29.785 2.135 -1.195 1.00 0.00 C ATOM 1322 OG SER A 98 29.785 3.075 -0.135 1.00 0.00 O ATOM 0 H SER A 98 27.591 0.687 0.268 1.00 0.00 H new ATOM 0 HA SER A 98 29.878 -0.009 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 98 30.760 2.132 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.053 2.430 -1.947 1.00 0.00 H new ATOM 0 HG SER A 98 29.996 3.965 -0.487 1.00 0.00 H new ATOM 1328 N CYS A 99 31.254 -0.138 0.695 1.00 0.00 N ATOM 1329 CA CYS A 99 31.977 -0.414 1.930 1.00 0.00 C ATOM 1330 C CYS A 99 32.559 0.860 2.534 1.00 0.00 C ATOM 1331 O CYS A 99 32.669 1.885 1.863 1.00 0.00 O ATOM 1332 CB CYS A 99 33.094 -1.413 1.654 1.00 0.00 C ATOM 1333 SG CYS A 99 32.583 -2.789 0.576 1.00 0.00 S ATOM 0 H CYS A 99 31.712 -0.489 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 99 31.274 -0.834 2.649 1.00 0.00 H new ATOM 0 HB2 CYS A 99 33.932 -0.891 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 99 33.453 -1.817 2.601 1.00 0.00 H new ATOM 1338 N ASN A 100 32.944 0.778 3.804 1.00 0.00 N ATOM 1339 CA ASN A 100 33.508 1.921 4.509 1.00 0.00 C ATOM 1340 C ASN A 100 35.033 1.903 4.464 1.00 0.00 C ATOM 1341 O ASN A 100 35.654 2.739 3.808 1.00 0.00 O ATOM 1342 CB ASN A 100 33.029 1.921 5.960 1.00 0.00 C ATOM 1343 CG ASN A 100 31.539 1.677 6.072 1.00 0.00 C ATOM 1344 OD1 ASN A 100 30.746 2.267 5.337 1.00 0.00 O ATOM 1345 ND2 ASN A 100 31.150 0.798 6.987 1.00 0.00 N ATOM 0 H ASN A 100 32.875 -0.071 4.366 1.00 0.00 H new ATOM 0 HA ASN A 100 33.167 2.829 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 100 33.564 1.152 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 100 33.274 2.878 6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 100 30.159 0.588 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 100 31.842 0.333 7.574 1.00 0.00 H new ATOM 1352 N SER A 101 35.631 0.954 5.178 1.00 0.00 N ATOM 1353 CA SER A 101 37.083 0.841 5.239 1.00 0.00 C ATOM 1354 C SER A 101 37.663 0.402 3.897 1.00 0.00 C ATOM 1355 O SER A 101 38.762 0.811 3.524 1.00 0.00 O ATOM 1356 CB SER A 101 37.488 -0.153 6.329 1.00 0.00 C ATOM 1357 OG SER A 101 38.870 -0.052 6.626 1.00 0.00 O ATOM 0 H SER A 101 35.131 0.252 5.723 1.00 0.00 H new ATOM 0 HA SER A 101 37.485 1.826 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 101 36.905 0.034 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 101 37.256 -1.167 6.004 1.00 0.00 H new ATOM 0 HG SER A 101 39.102 -0.697 7.327 1.00 0.00 H new ATOM 1363 N GLY A 102 36.926 -0.441 3.182 1.00 0.00 N ATOM 1364 CA GLY A 102 37.388 -0.919 1.895 1.00 0.00 C ATOM 1365 C GLY A 102 37.145 -2.403 1.704 1.00 0.00 C ATOM 1366 O GLY A 102 38.001 -3.119 1.184 1.00 0.00 O ATOM 0 H GLY A 102 36.017 -0.801 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 102 36.882 -0.367 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 102 38.454 -0.713 1.796 1.00 0.00 H new ATOM 1370 N TYR A 103 35.973 -2.863 2.125 1.00 0.00 N ATOM 1371 CA TYR A 103 35.603 -4.263 1.994 1.00 0.00 C ATOM 1372 C TYR A 103 35.109 -4.550 0.577 1.00 0.00 C ATOM 1373 O TYR A 103 35.255 -3.714 -0.315 1.00 0.00 O ATOM 1374 CB TYR A 103 34.524 -4.595 3.028 1.00 0.00 C ATOM 1375 CG TYR A 103 35.084 -5.006 4.372 1.00 0.00 C ATOM 1376 CD1 TYR A 103 35.083 -6.337 4.767 1.00 0.00 C ATOM 1377 CD2 TYR A 103 35.622 -4.065 5.240 1.00 0.00 C ATOM 1378 CE1 TYR A 103 35.595 -6.720 5.991 1.00 0.00 C ATOM 1379 CE2 TYR A 103 36.140 -4.440 6.466 1.00 0.00 C ATOM 1380 CZ TYR A 103 36.127 -5.768 6.835 1.00 0.00 C ATOM 1381 OH TYR A 103 36.641 -6.146 8.055 1.00 0.00 O ATOM 0 H TYR A 103 35.259 -2.280 2.563 1.00 0.00 H new ATOM 0 HA TYR A 103 36.475 -4.892 2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 103 33.880 -3.726 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 103 33.898 -5.399 2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 103 34.674 -7.086 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 103 35.636 -3.024 4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 103 35.579 -7.759 6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 103 36.553 -3.696 7.131 1.00 0.00 H new ATOM 0 HH TYR A 103 36.977 -5.356 8.527 1.00 0.00 H new ATOM 1391 N SER A 104 34.510 -5.720 0.371 1.00 0.00 N ATOM 1392 CA SER A 104 34.010 -6.092 -0.948 1.00 0.00 C ATOM 1393 C SER A 104 32.495 -6.278 -0.941 1.00 0.00 C ATOM 1394 O SER A 104 31.987 -7.289 -0.460 1.00 0.00 O ATOM 1395 CB SER A 104 34.683 -7.381 -1.424 1.00 0.00 C ATOM 1396 OG SER A 104 35.945 -7.112 -2.011 1.00 0.00 O ATOM 0 H SER A 104 34.360 -6.422 1.096 1.00 0.00 H new ATOM 0 HA SER A 104 34.251 -5.279 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 104 34.808 -8.062 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 104 34.042 -7.884 -2.148 1.00 0.00 H new ATOM 0 HG SER A 104 36.355 -7.952 -2.305 1.00 0.00 H new ATOM 1402 N LEU A 105 31.780 -5.309 -1.509 1.00 0.00 N ATOM 1403 CA LEU A 105 30.331 -5.368 -1.603 1.00 0.00 C ATOM 1404 C LEU A 105 29.884 -6.715 -2.154 1.00 0.00 C ATOM 1405 O LEU A 105 30.289 -7.123 -3.243 1.00 0.00 O ATOM 1406 CB LEU A 105 29.825 -4.234 -2.493 1.00 0.00 C ATOM 1407 CG LEU A 105 28.763 -3.337 -1.859 1.00 0.00 C ATOM 1408 CD1 LEU A 105 29.264 -2.756 -0.546 1.00 0.00 C ATOM 1409 CD2 LEU A 105 27.472 -4.112 -1.646 1.00 0.00 C ATOM 0 H LEU A 105 32.190 -4.467 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 105 29.909 -5.252 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 105 30.674 -3.615 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 105 29.416 -4.665 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 105 28.560 -2.510 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.492 -2.120 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 105 29.498 -3.566 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.161 -2.164 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 105 26.726 -3.459 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.103 -4.475 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.661 -4.959 -0.986 1.00 0.00 H new ATOM 1421 N ILE A 106 29.070 -7.407 -1.376 1.00 0.00 N ATOM 1422 CA ILE A 106 28.602 -8.733 -1.734 1.00 0.00 C ATOM 1423 C ILE A 106 27.165 -8.702 -2.241 1.00 0.00 C ATOM 1424 O ILE A 106 26.424 -7.762 -1.970 1.00 0.00 O ATOM 1425 CB ILE A 106 28.691 -9.664 -0.516 1.00 0.00 C ATOM 1426 CG1 ILE A 106 30.121 -9.690 0.019 1.00 0.00 C ATOM 1427 CG2 ILE A 106 28.225 -11.063 -0.870 1.00 0.00 C ATOM 1428 CD1 ILE A 106 31.109 -10.328 -0.932 1.00 0.00 C ATOM 0 H ILE A 106 28.716 -7.067 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 106 29.240 -9.105 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 106 28.033 -9.280 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 106 30.440 -8.669 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 106 30.137 -10.232 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 106 28.297 -11.704 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 106 27.190 -11.027 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 106 28.853 -11.465 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 106 32.104 -10.312 -0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 106 30.814 -11.359 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 106 31.122 -9.773 -1.870 1.00 0.00 H new ATOM 1440 N GLY A 107 26.778 -9.737 -2.979 1.00 0.00 N ATOM 1441 CA GLY A 107 25.424 -9.809 -3.501 1.00 0.00 C ATOM 1442 C GLY A 107 25.027 -8.563 -4.253 1.00 0.00 C ATOM 1443 O GLY A 107 23.861 -8.170 -4.265 1.00 0.00 O ATOM 0 H GLY A 107 27.376 -10.526 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 107 25.339 -10.671 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 107 24.729 -9.969 -2.677 1.00 0.00 H new ATOM 1447 N ASN A 108 26.015 -7.938 -4.852 1.00 0.00 N ATOM 1448 CA ASN A 108 25.819 -6.725 -5.628 1.00 0.00 C ATOM 1449 C ASN A 108 25.226 -5.610 -4.776 1.00 0.00 C ATOM 1450 O ASN A 108 24.204 -5.786 -4.116 1.00 0.00 O ATOM 1451 CB ASN A 108 24.919 -7.019 -6.812 1.00 0.00 C ATOM 1452 CG ASN A 108 25.690 -7.147 -8.110 1.00 0.00 C ATOM 1453 OD1 ASN A 108 25.479 -8.083 -8.881 1.00 0.00 O ATOM 1454 ND2 ASN A 108 26.600 -6.211 -8.353 1.00 0.00 N ATOM 0 H ASN A 108 26.984 -8.255 -4.817 1.00 0.00 H new ATOM 0 HA ASN A 108 26.791 -6.385 -5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 108 24.370 -7.942 -6.627 1.00 0.00 H new ATOM 0 HB3 ASN A 108 24.180 -6.223 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 108 27.157 -6.251 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 108 26.742 -5.452 -7.686 1.00 0.00 H new ATOM 1461 N SER A 109 25.879 -4.460 -4.811 1.00 0.00 N ATOM 1462 CA SER A 109 25.463 -3.309 -4.027 1.00 0.00 C ATOM 1463 C SER A 109 24.037 -2.878 -4.358 1.00 0.00 C ATOM 1464 O SER A 109 23.337 -2.316 -3.516 1.00 0.00 O ATOM 1465 CB SER A 109 26.430 -2.151 -4.264 1.00 0.00 C ATOM 1466 OG SER A 109 25.945 -1.261 -5.255 1.00 0.00 O ATOM 0 H SER A 109 26.709 -4.298 -5.381 1.00 0.00 H new ATOM 0 HA SER A 109 25.480 -3.596 -2.976 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.585 -1.609 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.400 -2.543 -4.569 1.00 0.00 H new ATOM 0 HG SER A 109 25.709 -1.766 -6.061 1.00 0.00 H new ATOM 1472 N GLY A 110 23.620 -3.126 -5.593 1.00 0.00 N ATOM 1473 CA GLY A 110 22.290 -2.730 -6.020 1.00 0.00 C ATOM 1474 C GLY A 110 21.195 -3.227 -5.097 1.00 0.00 C ATOM 1475 O GLY A 110 21.155 -4.406 -4.744 1.00 0.00 O ATOM 0 H GLY A 110 24.178 -3.594 -6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 110 22.242 -1.643 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 110 22.110 -3.110 -7.025 1.00 0.00 H new ATOM 1479 N VAL A 111 20.298 -2.322 -4.715 1.00 0.00 N ATOM 1480 CA VAL A 111 19.169 -2.663 -3.856 1.00 0.00 C ATOM 1481 C VAL A 111 17.878 -2.121 -4.455 1.00 0.00 C ATOM 1482 O VAL A 111 17.875 -1.057 -5.072 1.00 0.00 O ATOM 1483 CB VAL A 111 19.339 -2.115 -2.428 1.00 0.00 C ATOM 1484 CG1 VAL A 111 18.475 -2.893 -1.448 1.00 0.00 C ATOM 1485 CG2 VAL A 111 20.800 -2.152 -2.005 1.00 0.00 C ATOM 0 H VAL A 111 20.332 -1.340 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 111 19.127 -3.750 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 111 19.011 -1.076 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 111 18.610 -2.490 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 111 17.428 -2.805 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 111 18.767 -3.943 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 111 20.896 -1.760 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.161 -3.180 -2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 111 21.392 -1.542 -2.688 1.00 0.00 H new ATOM 1495 N LEU A 112 16.788 -2.863 -4.299 1.00 0.00 N ATOM 1496 CA LEU A 112 15.513 -2.457 -4.875 1.00 0.00 C ATOM 1497 C LEU A 112 14.555 -1.915 -3.821 1.00 0.00 C ATOM 1498 O LEU A 112 14.230 -2.598 -2.849 1.00 0.00 O ATOM 1499 CB LEU A 112 14.858 -3.636 -5.598 1.00 0.00 C ATOM 1500 CG LEU A 112 13.422 -3.388 -6.069 1.00 0.00 C ATOM 1501 CD1 LEU A 112 12.905 -4.580 -6.859 1.00 0.00 C ATOM 1502 CD2 LEU A 112 13.349 -2.118 -6.902 1.00 0.00 C ATOM 0 H LEU A 112 16.761 -3.742 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 112 15.722 -1.656 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 112 15.468 -3.897 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.862 -4.499 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 112 12.788 -3.260 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.883 -4.385 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.539 -4.742 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.921 -5.469 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.322 -1.956 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 112 13.677 -1.270 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.996 -2.217 -7.774 1.00 0.00 H new ATOM 1514 N CYS A 113 14.067 -0.702 -4.052 1.00 0.00 N ATOM 1515 CA CYS A 113 13.087 -0.087 -3.174 1.00 0.00 C ATOM 1516 C CYS A 113 11.686 -0.476 -3.627 1.00 0.00 C ATOM 1517 O CYS A 113 11.132 0.129 -4.546 1.00 0.00 O ATOM 1518 CB CYS A 113 13.240 1.433 -3.201 1.00 0.00 C ATOM 1519 SG CYS A 113 11.874 2.349 -2.414 1.00 0.00 S ATOM 0 H CYS A 113 14.338 -0.124 -4.847 1.00 0.00 H new ATOM 0 HA CYS A 113 13.248 -0.437 -2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 113 14.173 1.700 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 113 13.327 1.758 -4.238 1.00 0.00 H new ATOM 1524 N SER A 114 11.140 -1.514 -3.011 1.00 0.00 N ATOM 1525 CA SER A 114 9.818 -2.009 -3.373 1.00 0.00 C ATOM 1526 C SER A 114 9.013 -2.386 -2.136 1.00 0.00 C ATOM 1527 O SER A 114 9.563 -2.544 -1.047 1.00 0.00 O ATOM 1528 CB SER A 114 9.945 -3.221 -4.299 1.00 0.00 C ATOM 1529 OG SER A 114 11.105 -3.976 -3.994 1.00 0.00 O ATOM 0 H SER A 114 11.592 -2.031 -2.257 1.00 0.00 H new ATOM 0 HA SER A 114 9.291 -1.210 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.061 -3.851 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.986 -2.888 -5.336 1.00 0.00 H new ATOM 0 HG SER A 114 11.163 -4.746 -4.598 1.00 0.00 H new ATOM 1535 N GLY A 115 7.703 -2.524 -2.315 1.00 0.00 N ATOM 1536 CA GLY A 115 6.830 -2.886 -1.210 1.00 0.00 C ATOM 1537 C GLY A 115 7.109 -2.082 0.047 1.00 0.00 C ATOM 1538 O GLY A 115 6.841 -2.543 1.157 1.00 0.00 O ATOM 0 H GLY A 115 7.228 -2.391 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.792 -2.737 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.949 -3.947 -0.991 1.00 0.00 H new ATOM 1542 N GLY A 116 7.649 -0.880 -0.126 1.00 0.00 N ATOM 1543 CA GLY A 116 7.961 -0.037 1.013 1.00 0.00 C ATOM 1544 C GLY A 116 9.213 -0.478 1.751 1.00 0.00 C ATOM 1545 O GLY A 116 9.589 0.124 2.757 1.00 0.00 O ATOM 0 H GLY A 116 7.876 -0.475 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 116 8.089 0.991 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.118 -0.042 1.704 1.00 0.00 H new ATOM 1549 N GLU A 117 9.863 -1.529 1.257 1.00 0.00 N ATOM 1550 CA GLU A 117 11.080 -2.033 1.876 1.00 0.00 C ATOM 1551 C GLU A 117 12.165 -2.247 0.829 1.00 0.00 C ATOM 1552 O GLU A 117 11.949 -2.012 -0.360 1.00 0.00 O ATOM 1553 CB GLU A 117 10.801 -3.347 2.610 1.00 0.00 C ATOM 1554 CG GLU A 117 9.687 -3.245 3.638 1.00 0.00 C ATOM 1555 CD GLU A 117 9.749 -4.350 4.674 1.00 0.00 C ATOM 1556 OE1 GLU A 117 9.626 -4.043 5.878 1.00 0.00 O ATOM 1557 OE2 GLU A 117 9.922 -5.523 4.282 1.00 0.00 O ATOM 0 H GLU A 117 9.565 -2.046 0.430 1.00 0.00 H new ATOM 0 HA GLU A 117 11.428 -1.292 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 117 10.541 -4.113 1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.713 -3.677 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.747 -2.279 4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.724 -3.282 3.130 1.00 0.00 H new ATOM 1564 N TRP A 118 13.328 -2.701 1.276 1.00 0.00 N ATOM 1565 CA TRP A 118 14.445 -2.945 0.380 1.00 0.00 C ATOM 1566 C TRP A 118 14.678 -4.437 0.198 1.00 0.00 C ATOM 1567 O TRP A 118 14.828 -5.176 1.171 1.00 0.00 O ATOM 1568 CB TRP A 118 15.701 -2.275 0.926 1.00 0.00 C ATOM 1569 CG TRP A 118 15.590 -0.788 0.968 1.00 0.00 C ATOM 1570 CD1 TRP A 118 15.146 -0.030 2.012 1.00 0.00 C ATOM 1571 CD2 TRP A 118 15.903 0.121 -0.088 1.00 0.00 C ATOM 1572 NE1 TRP A 118 15.173 1.298 1.672 1.00 0.00 N ATOM 1573 CE2 TRP A 118 15.636 1.417 0.387 1.00 0.00 C ATOM 1574 CE3 TRP A 118 16.390 -0.033 -1.390 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 15.840 2.548 -0.391 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 16.593 1.095 -2.163 1.00 0.00 C ATOM 1577 CH2 TRP A 118 16.315 2.372 -1.662 1.00 0.00 C ATOM 0 H TRP A 118 13.521 -2.907 2.256 1.00 0.00 H new ATOM 0 HA TRP A 118 14.208 -2.519 -0.595 1.00 0.00 H new ATOM 0 HB2 TRP A 118 15.899 -2.649 1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 118 16.554 -2.554 0.308 1.00 0.00 H new ATOM 0 HD1 TRP A 118 14.821 -0.419 2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 118 14.894 2.071 2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 118 16.604 -1.015 -1.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 15.631 3.535 -0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 16.972 0.989 -3.169 1.00 0.00 H new ATOM 0 HH2 TRP A 118 16.479 3.235 -2.291 1.00 0.00 H new ATOM 1588 N SER A 119 14.692 -4.876 -1.054 1.00 0.00 N ATOM 1589 CA SER A 119 14.894 -6.283 -1.361 1.00 0.00 C ATOM 1590 C SER A 119 16.257 -6.516 -1.997 1.00 0.00 C ATOM 1591 O SER A 119 16.755 -5.685 -2.757 1.00 0.00 O ATOM 1592 CB SER A 119 13.795 -6.788 -2.296 1.00 0.00 C ATOM 1593 OG SER A 119 13.015 -5.716 -2.797 1.00 0.00 O ATOM 0 H SER A 119 14.566 -4.278 -1.871 1.00 0.00 H new ATOM 0 HA SER A 119 14.851 -6.838 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.243 -7.334 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.154 -7.489 -1.762 1.00 0.00 H new ATOM 0 HG SER A 119 12.321 -6.067 -3.393 1.00 0.00 H new ATOM 1599 N ASP A 120 16.849 -7.659 -1.679 1.00 0.00 N ATOM 1600 CA ASP A 120 18.143 -8.037 -2.229 1.00 0.00 C ATOM 1601 C ASP A 120 19.269 -7.127 -1.738 1.00 0.00 C ATOM 1602 O ASP A 120 20.127 -6.723 -2.523 1.00 0.00 O ATOM 1603 CB ASP A 120 18.094 -8.014 -3.755 1.00 0.00 C ATOM 1604 CG ASP A 120 19.073 -8.989 -4.380 1.00 0.00 C ATOM 1605 OD1 ASP A 120 20.194 -8.563 -4.727 1.00 0.00 O ATOM 1606 OD2 ASP A 120 18.719 -10.179 -4.520 1.00 0.00 O ATOM 0 H ASP A 120 16.450 -8.345 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 120 18.357 -9.047 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.084 -8.255 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 120 18.314 -7.006 -4.108 1.00 0.00 H new ATOM 1611 N PRO A 121 19.308 -6.811 -0.431 1.00 0.00 N ATOM 1612 CA PRO A 121 20.387 -6.001 0.137 1.00 0.00 C ATOM 1613 C PRO A 121 21.704 -6.766 0.092 1.00 0.00 C ATOM 1614 O PRO A 121 21.706 -7.996 0.137 1.00 0.00 O ATOM 1615 CB PRO A 121 19.942 -5.761 1.580 1.00 0.00 C ATOM 1616 CG PRO A 121 19.042 -6.908 1.892 1.00 0.00 C ATOM 1617 CD PRO A 121 18.358 -7.269 0.598 1.00 0.00 C ATOM 0 HA PRO A 121 20.556 -5.072 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.795 -5.731 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 121 19.421 -4.809 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 121 19.609 -7.753 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.313 -6.635 2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.174 -8.341 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.392 -6.773 0.502 1.00 0.00 H new ATOM 1625 N PRO A 122 22.846 -6.072 -0.030 1.00 0.00 N ATOM 1626 CA PRO A 122 24.134 -6.723 -0.146 1.00 0.00 C ATOM 1627 C PRO A 122 24.879 -6.857 1.168 1.00 0.00 C ATOM 1628 O PRO A 122 24.404 -6.449 2.227 1.00 0.00 O ATOM 1629 CB PRO A 122 24.904 -5.784 -1.069 1.00 0.00 C ATOM 1630 CG PRO A 122 24.256 -4.436 -0.924 1.00 0.00 C ATOM 1631 CD PRO A 122 22.984 -4.613 -0.132 1.00 0.00 C ATOM 0 HA PRO A 122 24.022 -7.747 -0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 122 25.957 -5.742 -0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 122 24.859 -6.129 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 122 24.927 -3.743 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 122 24.039 -4.010 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 122 23.054 -4.146 0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 122 22.130 -4.163 -0.638 1.00 0.00 H new ATOM 1639 N THR A 123 26.072 -7.417 1.061 1.00 0.00 N ATOM 1640 CA THR A 123 26.971 -7.575 2.187 1.00 0.00 C ATOM 1641 C THR A 123 28.286 -6.927 1.858 1.00 0.00 C ATOM 1642 O THR A 123 28.355 -6.054 0.993 1.00 0.00 O ATOM 1643 CB THR A 123 27.163 -9.054 2.526 1.00 0.00 C ATOM 1644 OG1 THR A 123 26.266 -9.859 1.780 1.00 0.00 O ATOM 1645 CG2 THR A 123 26.949 -9.362 3.992 1.00 0.00 C ATOM 0 H THR A 123 26.445 -7.777 0.183 1.00 0.00 H new ATOM 0 HA THR A 123 26.540 -7.092 3.064 1.00 0.00 H new ATOM 0 HB THR A 123 28.199 -9.279 2.272 1.00 0.00 H new ATOM 0 HG1 THR A 123 26.405 -10.802 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 123 27.100 -10.427 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 123 27.659 -8.792 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 123 25.933 -9.088 4.277 1.00 0.00 H new ATOM 1653 N CYS A 124 29.320 -7.313 2.560 1.00 0.00 N ATOM 1654 CA CYS A 124 30.590 -6.678 2.365 1.00 0.00 C ATOM 1655 C CYS A 124 31.686 -7.427 3.096 1.00 0.00 C ATOM 1656 O CYS A 124 31.920 -7.232 4.289 1.00 0.00 O ATOM 1657 CB CYS A 124 30.462 -5.237 2.832 1.00 0.00 C ATOM 1658 SG CYS A 124 31.635 -4.094 2.049 1.00 0.00 S ATOM 0 H CYS A 124 29.306 -8.054 3.261 1.00 0.00 H new ATOM 0 HA CYS A 124 30.871 -6.690 1.312 1.00 0.00 H new ATOM 0 HB2 CYS A 124 29.448 -4.891 2.633 1.00 0.00 H new ATOM 0 HB3 CYS A 124 30.605 -5.203 3.912 1.00 0.00 H new ATOM 1663 N GLN A 125 32.322 -8.320 2.356 1.00 0.00 N ATOM 1664 CA GLN A 125 33.357 -9.183 2.892 1.00 0.00 C ATOM 1665 C GLN A 125 34.736 -8.775 2.425 1.00 0.00 C ATOM 1666 O GLN A 125 34.938 -7.703 1.860 1.00 0.00 O ATOM 1667 CB GLN A 125 33.093 -10.619 2.461 1.00 0.00 C ATOM 1668 CG GLN A 125 31.721 -11.102 2.825 1.00 0.00 C ATOM 1669 CD GLN A 125 31.684 -11.861 4.135 1.00 0.00 C ATOM 1670 OE1 GLN A 125 32.659 -11.878 4.887 1.00 0.00 O ATOM 1671 NE2 GLN A 125 30.552 -12.496 4.413 1.00 0.00 N ATOM 0 H GLN A 125 32.133 -8.466 1.364 1.00 0.00 H new ATOM 0 HA GLN A 125 33.329 -9.094 3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.224 -10.698 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 125 33.835 -11.272 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.047 -10.248 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 125 31.346 -11.745 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 125 29.770 -12.454 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 125 30.464 -13.026 5.280 1.00 0.00 H new ATOM 1680 N ILE A 126 35.677 -9.648 2.700 1.00 0.00 N ATOM 1681 CA ILE A 126 37.067 -9.436 2.320 1.00 0.00 C ATOM 1682 C ILE A 126 37.470 -10.426 1.229 1.00 0.00 C ATOM 1683 O ILE A 126 38.331 -11.283 1.429 1.00 0.00 O ATOM 1684 CB ILE A 126 38.005 -9.563 3.544 1.00 0.00 C ATOM 1685 CG1 ILE A 126 37.752 -8.414 4.516 1.00 0.00 C ATOM 1686 CG2 ILE A 126 39.471 -9.581 3.126 1.00 0.00 C ATOM 1687 CD1 ILE A 126 37.765 -7.051 3.859 1.00 0.00 C ATOM 0 H ILE A 126 35.508 -10.525 3.192 1.00 0.00 H new ATOM 0 HA ILE A 126 37.164 -8.423 1.929 1.00 0.00 H new ATOM 0 HB ILE A 126 37.787 -10.510 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 126 36.788 -8.565 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 126 38.510 -8.438 5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 126 40.101 -9.671 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 126 39.651 -10.429 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 126 39.711 -8.656 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 126 37.578 -6.283 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 126 38.737 -6.879 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 126 36.988 -7.008 3.095 1.00 0.00 H new