USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 850 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 60 THR OG1 : rot 180:sc= -0.238 USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0.193 USER MOD Set 1.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 GLN : amide:sc= -7.31! C(o=-12!,f=-18!) USER MOD Set 2.2: A 51 SER OG : rot 83:sc= -5.14! USER MOD Single : A 1 ALA N :NH3+ -130:sc= 0.0224 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.157 F(o=-0.81,f=-0.16) USER MOD Single : A 5 HIS : no HD1:sc= -0.932 X(o=-0.93,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= -0.0859 X(o=-0.086,f=-0.0032) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 34:sc= 0.165 USER MOD Single : A 23 GLN :FLIP amide:sc= 0.853 F(o=-0.0085,f=0.85) USER MOD Single : A 26 TYR OH : rot 15:sc= -1.55! USER MOD Single : A 27 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.0076) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.771 F(o=-1.8!,f=-0.77) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -137:sc= 0.497! USER MOD Single : A 36 SER OG : rot -118:sc= -0.655! USER MOD Single : A 38 SER OG : rot 170:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 130:sc= 0.0236 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.496 USER MOD Single : A 50 SER OG : rot -45:sc= 0.285 USER MOD Single : A 52 MET CE :methyl 166:sc= 0 (180deg=-0.49) USER MOD Single : A 53 THR OG1 : rot 154:sc= -2.38! USER MOD Single : A 55 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-10!) USER MOD Single : A 57 HIS : no HE2:sc= -16.8! C(o=-17!,f=-27!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0614 F(o=-0.65,f=-0.061) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.79! C(o=-3.8!,f=-10!) USER MOD Single : A 72 ASN :FLIP amide:sc= -7.82! C(o=-9.1!,f=-7.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.309 K(o=-0.31,f=-4.3!) USER MOD Single : A 82 SER OG : rot -160:sc= -1.46! USER MOD Single : A 86 TYR OH : rot 107:sc= 0.0553 USER MOD Single : A 87 THR OG1 : rot 96:sc= -0.948 USER MOD Single : A 88 MET CE :methyl -124:sc= -0.382 (180deg=-2.25!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 98 ASN : amide:sc= -2.27! C(o=-2.3!,f=-5.1!) USER MOD Single : A 100 THR OG1 : rot -77:sc= 1.19 USER MOD Single : A 101 GLN : amide:sc=-0.000102 X(o=-0.0001,f=-0.48) USER MOD Single : A 105 THR OG1 : rot -49:sc= 0.181 USER MOD Single : A 107 SER OG : rot 180:sc= -0.392! USER MOD Single : A 108 SER OG : rot 53:sc= 0.91 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.584 -5.739 0.152 1.00 0.00 N ATOM 2 CA ALA A 1 22.820 -5.013 -0.261 1.00 0.00 C ATOM 3 C ALA A 1 23.242 -4.021 0.826 1.00 0.00 C ATOM 4 O ALA A 1 23.056 -4.259 2.002 1.00 0.00 O ATOM 5 CB ALA A 1 22.434 -4.272 -1.541 1.00 0.00 C ATOM 0 H1 ALA A 1 21.725 -6.762 0.029 1.00 0.00 H new ATOM 0 H2 ALA A 1 21.379 -5.535 1.151 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.785 -5.426 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 1 23.661 -5.688 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 1 23.293 -3.711 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 1 22.118 -4.991 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 1 21.615 -3.584 -1.330 1.00 0.00 H new ATOM 13 N ARG A 2 23.809 -2.911 0.440 1.00 0.00 N ATOM 14 CA ARG A 2 24.242 -1.904 1.451 1.00 0.00 C ATOM 15 C ARG A 2 23.254 -0.735 1.489 1.00 0.00 C ATOM 16 O ARG A 2 22.833 -0.233 0.466 1.00 0.00 O ATOM 17 CB ARG A 2 25.614 -1.430 0.971 1.00 0.00 C ATOM 18 CG ARG A 2 26.059 -0.226 1.803 1.00 0.00 C ATOM 19 CD ARG A 2 27.572 -0.043 1.666 1.00 0.00 C ATOM 20 NE ARG A 2 27.743 1.313 1.074 1.00 0.00 N ATOM 21 CZ ARG A 2 28.719 2.081 1.474 1.00 0.00 C ATOM 22 NH1 ARG A 2 28.650 2.675 2.634 1.00 0.00 N ATOM 23 NH2 ARG A 2 29.765 2.255 0.714 1.00 0.00 N ATOM 0 H ARG A 2 23.991 -2.657 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 2 24.282 -2.319 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 2 26.341 -2.237 1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 2 25.568 -1.159 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 2 25.541 0.673 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 2 25.793 -0.375 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 2 28.068 -0.117 2.634 1.00 0.00 H new ATOM 0 HD3 ARG A 2 28.006 -0.811 1.026 1.00 0.00 H new ATOM 0 HE ARG A 2 27.097 1.641 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 2 27.833 2.539 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 2 29.414 3.275 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 2 29.820 1.791 -0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 2 30.528 2.855 1.026 1.00 0.00 H new ATOM 37 N ILE A 3 22.879 -0.298 2.661 1.00 0.00 N ATOM 38 CA ILE A 3 21.918 0.838 2.761 1.00 0.00 C ATOM 39 C ILE A 3 22.624 2.083 3.306 1.00 0.00 C ATOM 40 O ILE A 3 22.308 2.569 4.374 1.00 0.00 O ATOM 41 CB ILE A 3 20.840 0.365 3.735 1.00 0.00 C ATOM 42 CG1 ILE A 3 21.485 0.014 5.078 1.00 0.00 C ATOM 43 CG2 ILE A 3 20.144 -0.872 3.165 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.494 0.294 6.208 1.00 0.00 C ATOM 0 H ILE A 3 23.196 -0.678 3.553 1.00 0.00 H new ATOM 0 HA ILE A 3 21.500 1.108 1.792 1.00 0.00 H new ATOM 0 HB ILE A 3 20.108 1.159 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 3 21.779 -1.036 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 3 22.392 0.600 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.375 -1.209 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.685 -0.623 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 3 20.876 -1.667 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.953 0.044 7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.222 1.350 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.599 -0.312 6.066 1.00 0.00 H new ATOM 56 N HIS A 4 23.575 2.601 2.580 1.00 0.00 N ATOM 57 CA HIS A 4 24.300 3.814 3.053 1.00 0.00 C ATOM 58 C HIS A 4 24.739 4.662 1.856 1.00 0.00 C ATOM 59 O HIS A 4 25.913 4.777 1.561 1.00 0.00 O ATOM 60 CB HIS A 4 25.518 3.279 3.807 1.00 0.00 C ATOM 61 CG HIS A 4 25.177 3.115 5.263 1.00 0.00 C ATOM 62 ND1 HIS A 4 24.291 3.775 6.079 1.00 0.00 N flip ATOM 63 CD2 HIS A 4 25.787 2.160 6.061 1.00 0.00 C flip ATOM 64 CE1 HIS A 4 24.349 3.241 7.363 1.00 0.00 C flip ATOM 65 NE2 HIS A 4 25.265 2.271 7.297 1.00 0.00 N flip ATOM 0 H HIS A 4 23.882 2.236 1.678 1.00 0.00 H new ATOM 0 HA HIS A 4 23.679 4.449 3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 4 25.828 2.323 3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 4 26.358 3.964 3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 4 26.543 1.455 5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 4 23.777 3.545 8.227 1.00 0.00 H new ATOM 0 HE2 HIS A 4 25.536 1.686 8.087 1.00 0.00 H new ATOM 73 N HIS A 5 23.806 5.253 1.160 1.00 0.00 N ATOM 74 CA HIS A 5 24.174 6.088 -0.020 1.00 0.00 C ATOM 75 C HIS A 5 23.024 7.032 -0.383 1.00 0.00 C ATOM 76 O HIS A 5 22.076 7.185 0.361 1.00 0.00 O ATOM 77 CB HIS A 5 24.420 5.087 -1.149 1.00 0.00 C ATOM 78 CG HIS A 5 25.401 5.668 -2.130 1.00 0.00 C ATOM 79 ND1 HIS A 5 26.473 6.449 -1.729 1.00 0.00 N ATOM 80 CD2 HIS A 5 25.486 5.587 -3.498 1.00 0.00 C ATOM 81 CE1 HIS A 5 27.151 6.805 -2.835 1.00 0.00 C ATOM 82 NE2 HIS A 5 26.593 6.306 -3.941 1.00 0.00 N ATOM 0 H HIS A 5 22.807 5.194 1.357 1.00 0.00 H new ATOM 0 HA HIS A 5 25.047 6.712 0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 5 24.806 4.152 -0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 5 23.482 4.852 -1.652 1.00 0.00 H new ATOM 0 HD2 HIS A 5 24.799 5.048 -4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 5 28.039 7.420 -2.829 1.00 0.00 H new ATOM 0 HE2 HIS A 5 26.910 6.426 -4.903 1.00 0.00 H new ATOM 90 N HIS A 6 23.101 7.664 -1.522 1.00 0.00 N ATOM 91 CA HIS A 6 22.013 8.597 -1.933 1.00 0.00 C ATOM 92 C HIS A 6 20.881 7.822 -2.614 1.00 0.00 C ATOM 93 O HIS A 6 21.014 7.367 -3.733 1.00 0.00 O ATOM 94 CB HIS A 6 22.669 9.561 -2.921 1.00 0.00 C ATOM 95 CG HIS A 6 23.299 10.698 -2.166 1.00 0.00 C ATOM 96 ND1 HIS A 6 24.628 11.053 -2.338 1.00 0.00 N ATOM 97 CD2 HIS A 6 22.797 11.569 -1.231 1.00 0.00 C ATOM 98 CE1 HIS A 6 24.878 12.097 -1.526 1.00 0.00 C ATOM 99 NE2 HIS A 6 23.795 12.452 -0.829 1.00 0.00 N ATOM 0 H HIS A 6 23.870 7.575 -2.186 1.00 0.00 H new ATOM 0 HA HIS A 6 21.575 9.120 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 6 23.423 9.039 -3.509 1.00 0.00 H new ATOM 0 HB3 HIS A 6 21.926 9.942 -3.622 1.00 0.00 H new ATOM 0 HD2 HIS A 6 21.782 11.569 -0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.837 12.588 -1.448 1.00 0.00 H new ATOM 0 HE2 HIS A 6 23.716 13.208 -0.148 1.00 0.00 H new ATOM 107 N HIS A 7 19.769 7.670 -1.949 1.00 0.00 N ATOM 108 CA HIS A 7 18.632 6.925 -2.562 1.00 0.00 C ATOM 109 C HIS A 7 18.448 7.356 -4.019 1.00 0.00 C ATOM 110 O HIS A 7 18.577 8.517 -4.354 1.00 0.00 O ATOM 111 CB HIS A 7 17.410 7.308 -1.727 1.00 0.00 C ATOM 112 CG HIS A 7 17.247 6.326 -0.601 1.00 0.00 C ATOM 113 ND1 HIS A 7 16.096 5.571 -0.437 1.00 0.00 N ATOM 114 CD2 HIS A 7 18.083 5.962 0.426 1.00 0.00 C ATOM 115 CE1 HIS A 7 16.270 4.798 0.651 1.00 0.00 C ATOM 116 NE2 HIS A 7 17.464 4.997 1.214 1.00 0.00 N ATOM 0 H HIS A 7 19.598 8.028 -1.009 1.00 0.00 H new ATOM 0 HA HIS A 7 18.796 5.847 -2.568 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.528 8.316 -1.330 1.00 0.00 H new ATOM 0 HB3 HIS A 7 16.517 7.314 -2.351 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.071 6.364 0.596 1.00 0.00 H new ATOM 0 HE1 HIS A 7 15.533 4.101 1.023 1.00 0.00 H new ATOM 0 HE2 HIS A 7 17.841 4.540 2.044 1.00 0.00 H new ATOM 124 N HIS A 8 18.154 6.430 -4.889 1.00 0.00 N ATOM 125 CA HIS A 8 17.968 6.787 -6.324 1.00 0.00 C ATOM 126 C HIS A 8 16.481 6.961 -6.645 1.00 0.00 C ATOM 127 O HIS A 8 16.101 7.136 -7.786 1.00 0.00 O ATOM 128 CB HIS A 8 18.551 5.607 -7.100 1.00 0.00 C ATOM 129 CG HIS A 8 19.999 5.873 -7.403 1.00 0.00 C ATOM 130 ND1 HIS A 8 20.456 6.094 -8.693 1.00 0.00 N ATOM 131 CD2 HIS A 8 21.105 5.961 -6.594 1.00 0.00 C ATOM 132 CE1 HIS A 8 21.784 6.301 -8.623 1.00 0.00 C ATOM 133 NE2 HIS A 8 22.231 6.231 -7.366 1.00 0.00 N ATOM 0 H HIS A 8 18.034 5.441 -4.669 1.00 0.00 H new ATOM 0 HA HIS A 8 18.455 7.728 -6.581 1.00 0.00 H new ATOM 0 HB2 HIS A 8 18.453 4.691 -6.518 1.00 0.00 H new ATOM 0 HB3 HIS A 8 17.996 5.457 -8.026 1.00 0.00 H new ATOM 0 HD2 HIS A 8 21.102 5.839 -5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 8 22.412 6.500 -9.479 1.00 0.00 H new ATOM 0 HE2 HIS A 8 23.191 6.350 -7.042 1.00 0.00 H new ATOM 141 N HIS A 9 15.637 6.914 -5.651 1.00 0.00 N ATOM 142 CA HIS A 9 14.177 7.078 -5.909 1.00 0.00 C ATOM 143 C HIS A 9 13.737 8.507 -5.583 1.00 0.00 C ATOM 144 O HIS A 9 13.125 8.763 -4.565 1.00 0.00 O ATOM 145 CB HIS A 9 13.493 6.081 -4.973 1.00 0.00 C ATOM 146 CG HIS A 9 12.427 5.335 -5.729 1.00 0.00 C ATOM 147 ND1 HIS A 9 12.616 4.043 -6.193 1.00 0.00 N ATOM 148 CD2 HIS A 9 11.157 5.688 -6.111 1.00 0.00 C ATOM 149 CE1 HIS A 9 11.487 3.669 -6.822 1.00 0.00 C ATOM 150 NE2 HIS A 9 10.565 4.634 -6.800 1.00 0.00 N ATOM 0 H HIS A 9 15.893 6.770 -4.674 1.00 0.00 H new ATOM 0 HA HIS A 9 13.922 6.898 -6.953 1.00 0.00 H new ATOM 0 HB2 HIS A 9 14.226 5.382 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.053 6.605 -4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.688 6.639 -5.908 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.344 2.705 -7.288 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.628 4.605 -7.202 1.00 0.00 H new ATOM 158 N ILE A 10 14.041 9.442 -6.442 1.00 0.00 N ATOM 159 CA ILE A 10 13.636 10.853 -6.180 1.00 0.00 C ATOM 160 C ILE A 10 12.113 10.986 -6.259 1.00 0.00 C ATOM 161 O ILE A 10 11.489 10.530 -7.197 1.00 0.00 O ATOM 162 CB ILE A 10 14.304 11.669 -7.286 1.00 0.00 C ATOM 163 CG1 ILE A 10 13.815 11.174 -8.649 1.00 0.00 C ATOM 164 CG2 ILE A 10 15.823 11.501 -7.200 1.00 0.00 C ATOM 165 CD1 ILE A 10 13.093 12.310 -9.376 1.00 0.00 C ATOM 0 H ILE A 10 14.551 9.290 -7.312 1.00 0.00 H new ATOM 0 HA ILE A 10 13.934 11.192 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 10 14.047 12.722 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.658 10.825 -9.245 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.143 10.326 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.299 12.083 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.173 11.851 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.080 10.449 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.745 11.957 -10.347 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.240 12.638 -8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.779 13.145 -9.518 1.00 0.00 H new ATOM 177 N GLU A 11 11.509 11.606 -5.282 1.00 0.00 N ATOM 178 CA GLU A 11 10.026 11.765 -5.304 1.00 0.00 C ATOM 179 C GLU A 11 9.635 12.954 -6.186 1.00 0.00 C ATOM 180 O GLU A 11 8.695 12.888 -6.954 1.00 0.00 O ATOM 181 CB GLU A 11 9.634 12.026 -3.850 1.00 0.00 C ATOM 182 CG GLU A 11 8.177 12.488 -3.786 1.00 0.00 C ATOM 183 CD GLU A 11 7.721 12.534 -2.327 1.00 0.00 C ATOM 184 OE1 GLU A 11 7.953 13.546 -1.687 1.00 0.00 O ATOM 185 OE2 GLU A 11 7.148 11.556 -1.875 1.00 0.00 O ATOM 0 H GLU A 11 11.977 12.009 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 11 9.523 10.888 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.765 11.119 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.286 12.785 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.076 13.473 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.543 11.808 -4.355 1.00 0.00 H new ATOM 192 N GLY A 12 10.348 14.042 -6.081 1.00 0.00 N ATOM 193 CA GLY A 12 10.018 15.233 -6.912 1.00 0.00 C ATOM 194 C GLY A 12 10.557 16.493 -6.233 1.00 0.00 C ATOM 195 O GLY A 12 11.750 16.721 -6.184 1.00 0.00 O ATOM 0 H GLY A 12 11.145 14.157 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.453 15.128 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.939 15.311 -7.043 1.00 0.00 H new ATOM 199 N ARG A 13 9.689 17.314 -5.708 1.00 0.00 N ATOM 200 CA ARG A 13 10.153 18.560 -5.033 1.00 0.00 C ATOM 201 C ARG A 13 9.361 18.792 -3.742 1.00 0.00 C ATOM 202 O ARG A 13 8.478 19.624 -3.686 1.00 0.00 O ATOM 203 CB ARG A 13 9.879 19.677 -6.041 1.00 0.00 C ATOM 204 CG ARG A 13 10.315 21.019 -5.451 1.00 0.00 C ATOM 205 CD ARG A 13 10.760 21.954 -6.580 1.00 0.00 C ATOM 206 NE ARG A 13 11.984 22.627 -6.064 1.00 0.00 N ATOM 207 CZ ARG A 13 12.174 23.899 -6.291 1.00 0.00 C ATOM 208 NH1 ARG A 13 12.185 24.349 -7.516 1.00 0.00 N ATOM 209 NH2 ARG A 13 12.355 24.721 -5.294 1.00 0.00 N ATOM 0 H ARG A 13 8.678 17.176 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 13 11.205 18.512 -4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.418 19.484 -6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.818 19.705 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.492 21.469 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.132 20.870 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.971 21.397 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.983 22.679 -6.821 1.00 0.00 H new ATOM 0 HE ARG A 13 12.674 22.095 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.045 23.707 -8.296 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.333 25.342 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.348 24.370 -4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.503 25.714 -5.472 1.00 0.00 H new ATOM 223 N ALA A 14 9.671 18.063 -2.704 1.00 0.00 N ATOM 224 CA ALA A 14 8.936 18.243 -1.418 1.00 0.00 C ATOM 225 C ALA A 14 9.922 18.331 -0.250 1.00 0.00 C ATOM 226 O ALA A 14 10.296 17.329 0.325 1.00 0.00 O ATOM 227 CB ALA A 14 8.060 16.997 -1.284 1.00 0.00 C ATOM 0 H ALA A 14 10.401 17.351 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 14 8.347 19.160 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.486 17.054 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.378 16.939 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.691 16.109 -1.265 1.00 0.00 H new ATOM 233 N PRO A 15 10.311 19.538 0.059 1.00 0.00 N ATOM 234 CA PRO A 15 11.266 19.770 1.168 1.00 0.00 C ATOM 235 C PRO A 15 10.567 19.598 2.519 1.00 0.00 C ATOM 236 O PRO A 15 11.149 19.129 3.477 1.00 0.00 O ATOM 237 CB PRO A 15 11.702 21.218 0.967 1.00 0.00 C ATOM 238 CG PRO A 15 10.578 21.864 0.218 1.00 0.00 C ATOM 239 CD PRO A 15 9.902 20.787 -0.591 1.00 0.00 C ATOM 0 HA PRO A 15 12.103 19.072 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.875 21.714 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.634 21.275 0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.872 22.327 0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.953 22.655 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.818 20.904 -0.583 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.218 20.815 -1.634 1.00 0.00 H new ATOM 247 N THR A 16 9.320 19.976 2.603 1.00 0.00 N ATOM 248 CA THR A 16 8.583 19.837 3.891 1.00 0.00 C ATOM 249 C THR A 16 7.302 19.024 3.679 1.00 0.00 C ATOM 250 O THR A 16 6.228 19.425 4.079 1.00 0.00 O ATOM 251 CB THR A 16 8.248 21.269 4.310 1.00 0.00 C ATOM 252 OG1 THR A 16 8.024 22.059 3.151 1.00 0.00 O ATOM 253 CG2 THR A 16 9.411 21.855 5.112 1.00 0.00 C ATOM 0 H THR A 16 8.780 20.375 1.835 1.00 0.00 H new ATOM 0 HA THR A 16 9.167 19.317 4.650 1.00 0.00 H new ATOM 0 HB THR A 16 7.350 21.266 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.807 22.977 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.170 22.876 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.582 21.248 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.311 21.859 4.497 1.00 0.00 H new ATOM 261 N GLU A 17 7.409 17.885 3.048 1.00 0.00 N ATOM 262 CA GLU A 17 6.201 17.045 2.806 1.00 0.00 C ATOM 263 C GLU A 17 5.302 17.032 4.045 1.00 0.00 C ATOM 264 O GLU A 17 5.487 16.244 4.951 1.00 0.00 O ATOM 265 CB GLU A 17 6.739 15.641 2.521 1.00 0.00 C ATOM 266 CG GLU A 17 7.846 15.303 3.522 1.00 0.00 C ATOM 267 CD GLU A 17 7.993 13.784 3.626 1.00 0.00 C ATOM 268 OE1 GLU A 17 7.941 13.132 2.596 1.00 0.00 O ATOM 269 OE2 GLU A 17 8.154 13.299 4.734 1.00 0.00 O ATOM 0 H GLU A 17 8.283 17.500 2.689 1.00 0.00 H new ATOM 0 HA GLU A 17 5.598 17.426 1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.934 14.910 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.126 15.589 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.788 15.749 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.608 15.724 4.499 1.00 0.00 H new ATOM 276 N GLN A 18 4.331 17.903 4.093 1.00 0.00 N ATOM 277 CA GLN A 18 3.423 17.946 5.271 1.00 0.00 C ATOM 278 C GLN A 18 2.882 16.547 5.580 1.00 0.00 C ATOM 279 O GLN A 18 2.837 16.125 6.719 1.00 0.00 O ATOM 280 CB GLN A 18 2.286 18.880 4.859 1.00 0.00 C ATOM 281 CG GLN A 18 1.912 19.780 6.038 1.00 0.00 C ATOM 282 CD GLN A 18 0.423 19.623 6.349 1.00 0.00 C ATOM 283 OE1 GLN A 18 -0.418 20.046 5.582 1.00 0.00 O ATOM 284 NE2 GLN A 18 0.060 19.026 7.451 1.00 0.00 N ATOM 0 H GLN A 18 4.128 18.588 3.365 1.00 0.00 H new ATOM 0 HA GLN A 18 3.933 18.292 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.591 19.487 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.420 18.298 4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.507 19.517 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.137 20.820 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.767 18.671 8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.930 18.915 7.668 1.00 0.00 H new ATOM 293 N SER A 19 2.469 15.826 4.575 1.00 0.00 N ATOM 294 CA SER A 19 1.928 14.456 4.811 1.00 0.00 C ATOM 295 C SER A 19 3.038 13.523 5.303 1.00 0.00 C ATOM 296 O SER A 19 4.114 13.486 4.738 1.00 0.00 O ATOM 297 CB SER A 19 1.407 13.998 3.449 1.00 0.00 C ATOM 298 OG SER A 19 2.387 14.270 2.456 1.00 0.00 O ATOM 0 H SER A 19 2.482 16.125 3.600 1.00 0.00 H new ATOM 0 HA SER A 19 1.148 14.446 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.183 12.932 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.477 14.514 3.210 1.00 0.00 H new ATOM 0 HG SER A 19 3.282 14.166 2.842 1.00 0.00 H new ATOM 304 N PRO A 20 2.736 12.793 6.343 1.00 0.00 N ATOM 305 CA PRO A 20 3.718 11.843 6.919 1.00 0.00 C ATOM 306 C PRO A 20 3.886 10.629 6.000 1.00 0.00 C ATOM 307 O PRO A 20 3.592 10.688 4.823 1.00 0.00 O ATOM 308 CB PRO A 20 3.090 11.440 8.251 1.00 0.00 C ATOM 309 CG PRO A 20 1.622 11.664 8.071 1.00 0.00 C ATOM 310 CD PRO A 20 1.463 12.782 7.072 1.00 0.00 C ATOM 0 HA PRO A 20 4.713 12.272 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.304 10.398 8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.483 12.041 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.135 10.757 7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.153 11.926 9.020 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.622 12.602 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.278 13.736 7.567 1.00 0.00 H new ATOM 318 N GLY A 21 4.357 9.530 6.525 1.00 0.00 N ATOM 319 CA GLY A 21 4.543 8.321 5.672 1.00 0.00 C ATOM 320 C GLY A 21 3.805 7.131 6.290 1.00 0.00 C ATOM 321 O GLY A 21 3.053 6.444 5.628 1.00 0.00 O ATOM 0 H GLY A 21 4.620 9.417 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.166 8.512 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.604 8.092 5.576 1.00 0.00 H new ATOM 325 N VAL A 22 4.017 6.879 7.552 1.00 0.00 N ATOM 326 CA VAL A 22 3.331 5.729 8.210 1.00 0.00 C ATOM 327 C VAL A 22 2.071 6.206 8.939 1.00 0.00 C ATOM 328 O VAL A 22 1.991 7.332 9.387 1.00 0.00 O ATOM 329 CB VAL A 22 4.351 5.181 9.206 1.00 0.00 C ATOM 330 CG1 VAL A 22 4.486 6.150 10.382 1.00 0.00 C ATOM 331 CG2 VAL A 22 3.881 3.819 9.721 1.00 0.00 C ATOM 0 H VAL A 22 4.635 7.419 8.157 1.00 0.00 H new ATOM 0 HA VAL A 22 3.012 4.973 7.492 1.00 0.00 H new ATOM 0 HB VAL A 22 5.317 5.070 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.214 5.760 11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.820 7.121 10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.520 6.261 10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.609 3.428 10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.915 3.930 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.783 3.127 8.884 1.00 0.00 H new ATOM 341 N GLN A 23 1.091 5.351 9.066 1.00 0.00 N ATOM 342 CA GLN A 23 -0.164 5.737 9.768 1.00 0.00 C ATOM 343 C GLN A 23 -1.236 4.665 9.553 1.00 0.00 C ATOM 344 O GLN A 23 -1.733 4.480 8.459 1.00 0.00 O ATOM 345 CB GLN A 23 -0.601 7.063 9.138 1.00 0.00 C ATOM 346 CG GLN A 23 -0.410 7.002 7.621 1.00 0.00 C ATOM 347 CD GLN A 23 -1.729 7.351 6.927 1.00 0.00 C ATOM 348 OE1 GLN A 23 -1.764 8.344 6.081 1.00 0.00 O flip ATOM 349 NE2 GLN A 23 -2.736 6.713 7.157 1.00 0.00 N flip ATOM 0 H GLN A 23 1.108 4.395 8.710 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.014 5.835 10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.646 7.262 9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.018 7.884 9.555 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.370 7.698 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.083 6.005 7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.708 5.937 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.610 6.953 6.689 1.00 0.00 H new ATOM 358 N ASP A 24 -1.595 3.955 10.588 1.00 0.00 N ATOM 359 CA ASP A 24 -2.633 2.893 10.441 1.00 0.00 C ATOM 360 C ASP A 24 -4.030 3.517 10.410 1.00 0.00 C ATOM 361 O ASP A 24 -4.679 3.662 11.428 1.00 0.00 O ATOM 362 CB ASP A 24 -2.468 2.005 11.675 1.00 0.00 C ATOM 363 CG ASP A 24 -0.984 1.708 11.897 1.00 0.00 C ATOM 364 OD1 ASP A 24 -0.333 1.298 10.950 1.00 0.00 O ATOM 365 OD2 ASP A 24 -0.523 1.896 13.011 1.00 0.00 O ATOM 0 H ASP A 24 -1.215 4.064 11.528 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.519 2.329 9.515 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.885 2.501 12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.020 1.074 11.543 1.00 0.00 H new ATOM 370 N CYS A 25 -4.501 3.883 9.250 1.00 0.00 N ATOM 371 CA CYS A 25 -5.860 4.493 9.158 1.00 0.00 C ATOM 372 C CYS A 25 -6.389 4.394 7.721 1.00 0.00 C ATOM 373 O CYS A 25 -5.641 4.453 6.765 1.00 0.00 O ATOM 374 CB CYS A 25 -5.673 5.953 9.631 1.00 0.00 C ATOM 375 SG CYS A 25 -5.978 7.150 8.297 1.00 0.00 S ATOM 0 H CYS A 25 -4.006 3.787 8.363 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.602 3.984 9.773 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.351 6.154 10.460 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.659 6.084 10.010 1.00 0.00 H new ATOM 380 N TYR A 26 -7.675 4.252 7.569 1.00 0.00 N ATOM 381 CA TYR A 26 -8.264 4.157 6.203 1.00 0.00 C ATOM 382 C TYR A 26 -9.681 4.737 6.208 1.00 0.00 C ATOM 383 O TYR A 26 -10.275 4.936 7.249 1.00 0.00 O ATOM 384 CB TYR A 26 -8.291 2.661 5.880 1.00 0.00 C ATOM 385 CG TYR A 26 -9.389 1.990 6.669 1.00 0.00 C ATOM 386 CD1 TYR A 26 -10.717 2.076 6.233 1.00 0.00 C ATOM 387 CD2 TYR A 26 -9.080 1.282 7.836 1.00 0.00 C ATOM 388 CE1 TYR A 26 -11.735 1.453 6.964 1.00 0.00 C ATOM 389 CE2 TYR A 26 -10.098 0.660 8.567 1.00 0.00 C ATOM 390 CZ TYR A 26 -11.426 0.745 8.132 1.00 0.00 C ATOM 391 OH TYR A 26 -12.429 0.131 8.853 1.00 0.00 O ATOM 0 H TYR A 26 -8.347 4.197 8.334 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.692 4.716 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.454 2.512 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.329 2.210 6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.956 2.623 5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.056 1.216 8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.759 1.518 6.627 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.859 0.114 9.468 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.240 0.079 8.306 1.00 0.00 H new ATOM 401 N HIS A 27 -10.227 5.013 5.056 1.00 0.00 N ATOM 402 CA HIS A 27 -11.604 5.583 5.008 1.00 0.00 C ATOM 403 C HIS A 27 -12.569 4.596 4.346 1.00 0.00 C ATOM 404 O HIS A 27 -12.250 3.969 3.356 1.00 0.00 O ATOM 405 CB HIS A 27 -11.479 6.854 4.168 1.00 0.00 C ATOM 406 CG HIS A 27 -12.754 7.645 4.267 1.00 0.00 C ATOM 407 ND1 HIS A 27 -13.075 8.647 3.365 1.00 0.00 N ATOM 408 CD2 HIS A 27 -13.798 7.593 5.157 1.00 0.00 C ATOM 409 CE1 HIS A 27 -14.268 9.153 3.728 1.00 0.00 C ATOM 410 NE2 HIS A 27 -14.753 8.546 4.814 1.00 0.00 N ATOM 0 H HIS A 27 -9.782 4.870 4.149 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.997 5.788 6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.638 7.453 4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.277 6.598 3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.868 6.916 5.995 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.772 9.952 3.205 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.634 8.739 5.290 1.00 0.00 H new ATOM 418 N GLY A 28 -13.750 4.457 4.886 1.00 0.00 N ATOM 419 CA GLY A 28 -14.739 3.516 4.288 1.00 0.00 C ATOM 420 C GLY A 28 -14.252 2.077 4.464 1.00 0.00 C ATOM 421 O GLY A 28 -14.541 1.429 5.450 1.00 0.00 O ATOM 0 H GLY A 28 -14.072 4.955 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.711 3.642 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.873 3.738 3.229 1.00 0.00 H new ATOM 425 N ASP A 29 -13.517 1.571 3.512 1.00 0.00 N ATOM 426 CA ASP A 29 -13.013 0.172 3.618 1.00 0.00 C ATOM 427 C ASP A 29 -11.540 0.112 3.255 1.00 0.00 C ATOM 428 O ASP A 29 -10.996 -0.942 2.991 1.00 0.00 O ATOM 429 CB ASP A 29 -13.846 -0.627 2.616 1.00 0.00 C ATOM 430 CG ASP A 29 -15.122 -1.125 3.296 1.00 0.00 C ATOM 431 OD1 ASP A 29 -15.659 -0.394 4.112 1.00 0.00 O ATOM 432 OD2 ASP A 29 -15.541 -2.229 2.990 1.00 0.00 O ATOM 0 H ASP A 29 -13.243 2.067 2.664 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.104 -0.222 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.098 -0.004 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.269 -1.471 2.239 1.00 0.00 H new ATOM 437 N GLY A 30 -10.891 1.239 3.209 1.00 0.00 N ATOM 438 CA GLY A 30 -9.459 1.243 2.826 1.00 0.00 C ATOM 439 C GLY A 30 -9.358 0.921 1.334 1.00 0.00 C ATOM 440 O GLY A 30 -8.286 0.923 0.761 1.00 0.00 O ATOM 0 H GLY A 30 -11.290 2.154 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.013 2.215 3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.908 0.507 3.411 1.00 0.00 H new ATOM 444 N GLN A 31 -10.470 0.644 0.695 1.00 0.00 N ATOM 445 CA GLN A 31 -10.425 0.324 -0.761 1.00 0.00 C ATOM 446 C GLN A 31 -9.870 1.516 -1.543 1.00 0.00 C ATOM 447 O GLN A 31 -9.159 1.356 -2.516 1.00 0.00 O ATOM 448 CB GLN A 31 -11.877 0.049 -1.156 1.00 0.00 C ATOM 449 CG GLN A 31 -12.000 -1.390 -1.662 1.00 0.00 C ATOM 450 CD GLN A 31 -13.471 -1.721 -1.919 1.00 0.00 C ATOM 451 OE1 GLN A 31 -14.240 -2.042 -0.914 1.00 0.00 O flip ATOM 452 NE2 GLN A 31 -13.926 -1.688 -3.045 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.398 0.626 1.118 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.780 -0.528 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.534 0.203 -0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.194 0.747 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.424 -1.514 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.584 -2.081 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.326 -1.437 -3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.908 -1.911 -3.205 1.00 0.00 H new ATOM 461 N SER A 32 -10.182 2.709 -1.121 1.00 0.00 N ATOM 462 CA SER A 32 -9.667 3.911 -1.836 1.00 0.00 C ATOM 463 C SER A 32 -8.343 4.359 -1.212 1.00 0.00 C ATOM 464 O SER A 32 -7.946 5.501 -1.328 1.00 0.00 O ATOM 465 CB SER A 32 -10.742 4.979 -1.639 1.00 0.00 C ATOM 466 OG SER A 32 -10.538 5.626 -0.390 1.00 0.00 O ATOM 0 H SER A 32 -10.771 2.905 -0.312 1.00 0.00 H new ATOM 0 HA SER A 32 -9.476 3.719 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.701 5.707 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.732 4.524 -1.669 1.00 0.00 H new ATOM 0 HG SER A 32 -11.225 6.313 -0.261 1.00 0.00 H new ATOM 472 N TYR A 33 -7.659 3.467 -0.547 1.00 0.00 N ATOM 473 CA TYR A 33 -6.362 3.845 0.087 1.00 0.00 C ATOM 474 C TYR A 33 -5.404 4.418 -0.961 1.00 0.00 C ATOM 475 O TYR A 33 -5.354 3.963 -2.086 1.00 0.00 O ATOM 476 CB TYR A 33 -5.805 2.544 0.669 1.00 0.00 C ATOM 477 CG TYR A 33 -4.603 2.857 1.527 1.00 0.00 C ATOM 478 CD1 TYR A 33 -3.416 3.307 0.935 1.00 0.00 C ATOM 479 CD2 TYR A 33 -4.678 2.707 2.917 1.00 0.00 C ATOM 480 CE1 TYR A 33 -2.306 3.607 1.734 1.00 0.00 C ATOM 481 CE2 TYR A 33 -3.569 3.009 3.715 1.00 0.00 C ATOM 482 CZ TYR A 33 -2.383 3.459 3.124 1.00 0.00 C ATOM 483 OH TYR A 33 -1.290 3.757 3.911 1.00 0.00 O ATOM 0 H TYR A 33 -7.941 2.496 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.489 4.611 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.569 2.041 1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.525 1.863 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.357 3.423 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.592 2.358 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.390 3.953 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.628 2.895 4.787 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.179 3.062 4.593 1.00 0.00 H new ATOM 493 N ARG A 34 -4.640 5.415 -0.598 1.00 0.00 N ATOM 494 CA ARG A 34 -3.683 6.016 -1.572 1.00 0.00 C ATOM 495 C ARG A 34 -2.253 5.917 -1.035 1.00 0.00 C ATOM 496 O ARG A 34 -1.768 6.807 -0.364 1.00 0.00 O ATOM 497 CB ARG A 34 -4.109 7.481 -1.698 1.00 0.00 C ATOM 498 CG ARG A 34 -3.332 8.143 -2.838 1.00 0.00 C ATOM 499 CD ARG A 34 -4.314 8.764 -3.834 1.00 0.00 C ATOM 500 NE ARG A 34 -4.532 7.711 -4.864 1.00 0.00 N ATOM 501 CZ ARG A 34 -5.663 7.063 -4.903 1.00 0.00 C ATOM 502 NH1 ARG A 34 -6.756 7.680 -5.257 1.00 0.00 N ATOM 503 NH2 ARG A 34 -5.702 5.798 -4.584 1.00 0.00 N ATOM 0 H ARG A 34 -4.638 5.838 0.330 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.698 5.505 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.180 7.544 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.921 8.007 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.667 8.910 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.705 7.406 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.249 9.040 -3.347 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.906 9.672 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.797 7.497 -5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.726 8.669 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.641 7.173 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.848 5.316 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.587 5.291 -4.615 1.00 0.00 H new ATOM 517 N GLY A 35 -1.574 4.841 -1.323 1.00 0.00 N ATOM 518 CA GLY A 35 -0.177 4.688 -0.828 1.00 0.00 C ATOM 519 C GLY A 35 0.191 3.204 -0.782 1.00 0.00 C ATOM 520 O GLY A 35 -0.661 2.340 -0.852 1.00 0.00 O ATOM 0 H GLY A 35 -1.926 4.062 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.512 5.224 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.082 5.128 0.165 1.00 0.00 H new ATOM 524 N SER A 36 1.454 2.903 -0.664 1.00 0.00 N ATOM 525 CA SER A 36 1.881 1.476 -0.613 1.00 0.00 C ATOM 526 C SER A 36 1.992 1.008 0.840 1.00 0.00 C ATOM 527 O SER A 36 3.059 0.670 1.313 1.00 0.00 O ATOM 528 CB SER A 36 3.251 1.451 -1.288 1.00 0.00 C ATOM 529 OG SER A 36 3.158 2.078 -2.559 1.00 0.00 O ATOM 0 H SER A 36 2.210 3.584 -0.601 1.00 0.00 H new ATOM 0 HA SER A 36 1.169 0.814 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.984 1.966 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.595 0.423 -1.401 1.00 0.00 H new ATOM 0 HG SER A 36 3.374 1.429 -3.261 1.00 0.00 H new ATOM 535 N PHE A 37 0.899 0.986 1.553 1.00 0.00 N ATOM 536 CA PHE A 37 0.949 0.539 2.975 1.00 0.00 C ATOM 537 C PHE A 37 1.267 -0.950 3.056 1.00 0.00 C ATOM 538 O PHE A 37 0.515 -1.723 3.617 1.00 0.00 O ATOM 539 CB PHE A 37 -0.443 0.820 3.536 1.00 0.00 C ATOM 540 CG PHE A 37 -0.393 0.789 5.046 1.00 0.00 C ATOM 541 CD1 PHE A 37 0.192 1.850 5.749 1.00 0.00 C ATOM 542 CD2 PHE A 37 -0.930 -0.299 5.743 1.00 0.00 C ATOM 543 CE1 PHE A 37 0.239 1.822 7.148 1.00 0.00 C ATOM 544 CE2 PHE A 37 -0.883 -0.327 7.143 1.00 0.00 C ATOM 545 CZ PHE A 37 -0.298 0.733 7.845 1.00 0.00 C ATOM 0 H PHE A 37 -0.024 1.257 1.214 1.00 0.00 H new ATOM 0 HA PHE A 37 1.725 1.058 3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.795 1.793 3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.151 0.077 3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.607 2.690 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.381 -1.118 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.690 2.641 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.298 -1.167 7.681 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.261 0.711 8.924 1.00 0.00 H new ATOM 555 N SER A 38 2.376 -1.363 2.510 1.00 0.00 N ATOM 556 CA SER A 38 2.750 -2.805 2.563 1.00 0.00 C ATOM 557 C SER A 38 3.005 -3.272 4.006 1.00 0.00 C ATOM 558 O SER A 38 3.979 -3.946 4.276 1.00 0.00 O ATOM 559 CB SER A 38 4.039 -2.883 1.761 1.00 0.00 C ATOM 560 OG SER A 38 5.036 -2.095 2.397 1.00 0.00 O ATOM 0 H SER A 38 3.043 -0.762 2.027 1.00 0.00 H new ATOM 0 HA SER A 38 1.956 -3.442 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.371 -3.918 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.871 -2.526 0.745 1.00 0.00 H new ATOM 0 HG SER A 38 5.906 -2.268 1.979 1.00 0.00 H new ATOM 566 N THR A 39 2.146 -2.939 4.932 1.00 0.00 N ATOM 567 CA THR A 39 2.360 -3.391 6.335 1.00 0.00 C ATOM 568 C THR A 39 1.214 -4.316 6.753 1.00 0.00 C ATOM 569 O THR A 39 0.057 -3.952 6.687 1.00 0.00 O ATOM 570 CB THR A 39 2.356 -2.112 7.172 1.00 0.00 C ATOM 571 OG1 THR A 39 3.357 -1.228 6.687 1.00 0.00 O ATOM 572 CG2 THR A 39 2.642 -2.456 8.635 1.00 0.00 C ATOM 0 H THR A 39 1.309 -2.376 4.778 1.00 0.00 H new ATOM 0 HA THR A 39 3.289 -3.947 6.461 1.00 0.00 H new ATOM 0 HB THR A 39 1.380 -1.632 7.098 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.355 -0.407 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.639 -1.543 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.874 -3.134 9.006 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.618 -2.936 8.712 1.00 0.00 H new ATOM 580 N THR A 40 1.523 -5.511 7.172 1.00 0.00 N ATOM 581 CA THR A 40 0.444 -6.456 7.579 1.00 0.00 C ATOM 582 C THR A 40 -0.037 -6.145 8.999 1.00 0.00 C ATOM 583 O THR A 40 0.615 -5.448 9.751 1.00 0.00 O ATOM 584 CB THR A 40 1.088 -7.845 7.521 1.00 0.00 C ATOM 585 OG1 THR A 40 2.111 -7.929 8.503 1.00 0.00 O ATOM 586 CG2 THR A 40 1.691 -8.082 6.132 1.00 0.00 C ATOM 0 H THR A 40 2.473 -5.874 7.250 1.00 0.00 H new ATOM 0 HA THR A 40 -0.429 -6.383 6.930 1.00 0.00 H new ATOM 0 HB THR A 40 0.329 -8.603 7.715 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.989 -8.744 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.147 -9.071 6.097 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.906 -8.018 5.379 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.449 -7.325 5.931 1.00 0.00 H new ATOM 594 N VAL A 41 -1.179 -6.660 9.368 1.00 0.00 N ATOM 595 CA VAL A 41 -1.714 -6.400 10.735 1.00 0.00 C ATOM 596 C VAL A 41 -0.652 -6.717 11.792 1.00 0.00 C ATOM 597 O VAL A 41 -0.565 -6.065 12.813 1.00 0.00 O ATOM 598 CB VAL A 41 -2.909 -7.343 10.875 1.00 0.00 C ATOM 599 CG1 VAL A 41 -3.352 -7.395 12.338 1.00 0.00 C ATOM 600 CG2 VAL A 41 -4.063 -6.832 10.010 1.00 0.00 C ATOM 0 H VAL A 41 -1.766 -7.251 8.779 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.997 -5.357 10.876 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.623 -8.343 10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.204 -8.068 12.436 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.530 -7.758 12.954 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.638 -6.396 12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.916 -7.503 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.348 -5.832 10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.748 -6.796 8.967 1.00 0.00 H new ATOM 610 N THR A 42 0.154 -7.715 11.555 1.00 0.00 N ATOM 611 CA THR A 42 1.208 -8.074 12.547 1.00 0.00 C ATOM 612 C THR A 42 2.392 -7.110 12.433 1.00 0.00 C ATOM 613 O THR A 42 3.277 -7.099 13.265 1.00 0.00 O ATOM 614 CB THR A 42 1.634 -9.496 12.176 1.00 0.00 C ATOM 615 OG1 THR A 42 0.481 -10.320 12.070 1.00 0.00 O ATOM 616 CG2 THR A 42 2.563 -10.051 13.255 1.00 0.00 C ATOM 0 H THR A 42 0.129 -8.297 10.718 1.00 0.00 H new ATOM 0 HA THR A 42 0.847 -8.012 13.574 1.00 0.00 H new ATOM 0 HB THR A 42 2.160 -9.481 11.222 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.751 -11.231 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.865 -11.064 12.989 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.447 -9.418 13.335 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.041 -10.068 14.212 1.00 0.00 H new ATOM 624 N GLY A 43 2.413 -6.300 11.410 1.00 0.00 N ATOM 625 CA GLY A 43 3.538 -5.336 11.244 1.00 0.00 C ATOM 626 C GLY A 43 4.607 -5.946 10.336 1.00 0.00 C ATOM 627 O GLY A 43 5.686 -5.407 10.183 1.00 0.00 O ATOM 0 H GLY A 43 1.700 -6.264 10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.171 -4.404 10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.968 -5.092 12.216 1.00 0.00 H new ATOM 631 N ARG A 44 4.319 -7.067 9.732 1.00 0.00 N ATOM 632 CA ARG A 44 5.322 -7.709 8.834 1.00 0.00 C ATOM 633 C ARG A 44 5.407 -6.953 7.505 1.00 0.00 C ATOM 634 O ARG A 44 4.861 -5.878 7.356 1.00 0.00 O ATOM 635 CB ARG A 44 4.803 -9.130 8.612 1.00 0.00 C ATOM 636 CG ARG A 44 5.968 -10.119 8.691 1.00 0.00 C ATOM 637 CD ARG A 44 5.931 -10.847 10.036 1.00 0.00 C ATOM 638 NE ARG A 44 5.178 -12.104 9.769 1.00 0.00 N ATOM 639 CZ ARG A 44 5.336 -13.138 10.549 1.00 0.00 C ATOM 640 NH1 ARG A 44 6.363 -13.927 10.387 1.00 0.00 N ATOM 641 NH2 ARG A 44 4.468 -13.384 11.491 1.00 0.00 N ATOM 0 H ARG A 44 3.434 -7.566 9.821 1.00 0.00 H new ATOM 0 HA ARG A 44 6.323 -7.704 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.052 -9.376 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.316 -9.203 7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.904 -10.838 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.915 -9.591 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.937 -11.058 10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.437 -10.244 10.798 1.00 0.00 H new ATOM 0 HE ARG A 44 4.539 -12.157 8.976 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.042 -13.735 9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.486 -14.735 10.997 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.665 -12.768 11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.592 -14.192 12.100 1.00 0.00 H new ATOM 655 N THR A 45 6.090 -7.507 6.541 1.00 0.00 N ATOM 656 CA THR A 45 6.215 -6.822 5.221 1.00 0.00 C ATOM 657 C THR A 45 5.417 -7.577 4.152 1.00 0.00 C ATOM 658 O THR A 45 5.608 -8.759 3.942 1.00 0.00 O ATOM 659 CB THR A 45 7.710 -6.860 4.899 1.00 0.00 C ATOM 660 OG1 THR A 45 8.391 -5.909 5.711 1.00 0.00 O ATOM 661 CG2 THR A 45 7.924 -6.531 3.420 1.00 0.00 C ATOM 0 H THR A 45 6.568 -8.406 6.610 1.00 0.00 H new ATOM 0 HA THR A 45 5.826 -5.804 5.245 1.00 0.00 H new ATOM 0 HB THR A 45 8.104 -7.856 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.349 -5.932 5.508 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.989 -6.558 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.402 -7.264 2.805 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.533 -5.536 3.208 1.00 0.00 H new ATOM 669 N CYS A 46 4.519 -6.908 3.479 1.00 0.00 N ATOM 670 CA CYS A 46 3.710 -7.590 2.435 1.00 0.00 C ATOM 671 C CYS A 46 4.617 -8.181 1.351 1.00 0.00 C ATOM 672 O CYS A 46 5.640 -7.620 1.009 1.00 0.00 O ATOM 673 CB CYS A 46 2.807 -6.502 1.844 1.00 0.00 C ATOM 674 SG CYS A 46 2.117 -7.074 0.266 1.00 0.00 S ATOM 0 H CYS A 46 4.313 -5.918 3.609 1.00 0.00 H new ATOM 0 HA CYS A 46 3.132 -8.417 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.002 -6.266 2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.377 -5.585 1.692 1.00 0.00 H new ATOM 679 N GLN A 47 4.241 -9.303 0.801 1.00 0.00 N ATOM 680 CA GLN A 47 5.070 -9.924 -0.269 1.00 0.00 C ATOM 681 C GLN A 47 4.610 -9.427 -1.647 1.00 0.00 C ATOM 682 O GLN A 47 3.431 -9.390 -1.938 1.00 0.00 O ATOM 683 CB GLN A 47 4.828 -11.428 -0.142 1.00 0.00 C ATOM 684 CG GLN A 47 5.315 -12.137 -1.408 1.00 0.00 C ATOM 685 CD GLN A 47 6.841 -12.057 -1.485 1.00 0.00 C ATOM 686 OE1 GLN A 47 7.403 -10.981 -1.543 1.00 0.00 O ATOM 687 NE2 GLN A 47 7.541 -13.159 -1.491 1.00 0.00 N ATOM 0 H GLN A 47 3.395 -9.816 1.047 1.00 0.00 H new ATOM 0 HA GLN A 47 6.126 -9.671 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.353 -11.818 0.730 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.767 -11.624 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.995 -13.179 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.871 -11.675 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.070 -14.063 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.559 -13.116 -1.544 1.00 0.00 H new ATOM 696 N SER A 48 5.529 -9.058 -2.498 1.00 0.00 N ATOM 697 CA SER A 48 5.146 -8.581 -3.856 1.00 0.00 C ATOM 698 C SER A 48 4.043 -9.466 -4.427 1.00 0.00 C ATOM 699 O SER A 48 4.146 -10.677 -4.418 1.00 0.00 O ATOM 700 CB SER A 48 6.414 -8.721 -4.694 1.00 0.00 C ATOM 701 OG SER A 48 6.914 -7.428 -5.010 1.00 0.00 O ATOM 0 H SER A 48 6.531 -9.067 -2.310 1.00 0.00 H new ATOM 0 HA SER A 48 4.770 -7.558 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.165 -9.290 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.200 -9.274 -5.608 1.00 0.00 H new ATOM 0 HG SER A 48 7.729 -7.515 -5.547 1.00 0.00 H new ATOM 707 N TRP A 49 2.996 -8.888 -4.945 1.00 0.00 N ATOM 708 CA TRP A 49 1.928 -9.737 -5.527 1.00 0.00 C ATOM 709 C TRP A 49 2.586 -10.661 -6.545 1.00 0.00 C ATOM 710 O TRP A 49 2.212 -11.803 -6.714 1.00 0.00 O ATOM 711 CB TRP A 49 0.963 -8.780 -6.228 1.00 0.00 C ATOM 712 CG TRP A 49 0.358 -7.823 -5.247 1.00 0.00 C ATOM 713 CD1 TRP A 49 0.720 -6.533 -5.095 1.00 0.00 C ATOM 714 CD2 TRP A 49 -0.719 -8.052 -4.298 1.00 0.00 C ATOM 715 NE1 TRP A 49 -0.072 -5.961 -4.121 1.00 0.00 N ATOM 716 CE2 TRP A 49 -0.969 -6.857 -3.597 1.00 0.00 C ATOM 717 CE3 TRP A 49 -1.489 -9.170 -3.986 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -1.954 -6.773 -2.617 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -2.486 -9.102 -2.999 1.00 0.00 C ATOM 720 CH2 TRP A 49 -2.719 -7.902 -2.314 1.00 0.00 C ATOM 0 H TRP A 49 2.837 -7.881 -4.989 1.00 0.00 H new ATOM 0 HA TRP A 49 1.401 -10.336 -4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.492 -8.227 -7.004 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.175 -9.348 -6.722 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.502 -6.030 -5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.001 -4.987 -3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.318 -10.099 -4.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.125 -5.843 -2.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.075 -9.977 -2.767 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.486 -7.850 -1.556 1.00 0.00 H new ATOM 731 N SER A 50 3.586 -10.153 -7.212 1.00 0.00 N ATOM 732 CA SER A 50 4.326 -10.949 -8.228 1.00 0.00 C ATOM 733 C SER A 50 5.324 -11.914 -7.564 1.00 0.00 C ATOM 734 O SER A 50 6.301 -12.311 -8.166 1.00 0.00 O ATOM 735 CB SER A 50 5.063 -9.897 -9.050 1.00 0.00 C ATOM 736 OG SER A 50 5.576 -10.494 -10.234 1.00 0.00 O ATOM 0 H SER A 50 3.927 -9.199 -7.092 1.00 0.00 H new ATOM 0 HA SER A 50 3.664 -11.573 -8.828 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.387 -9.081 -9.305 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.876 -9.467 -8.465 1.00 0.00 H new ATOM 0 HG SER A 50 5.994 -11.352 -10.013 1.00 0.00 H new ATOM 742 N SER A 51 5.091 -12.294 -6.336 1.00 0.00 N ATOM 743 CA SER A 51 6.027 -13.234 -5.654 1.00 0.00 C ATOM 744 C SER A 51 5.591 -14.678 -5.921 1.00 0.00 C ATOM 745 O SER A 51 4.454 -15.045 -5.701 1.00 0.00 O ATOM 746 CB SER A 51 5.913 -12.902 -4.167 1.00 0.00 C ATOM 747 OG SER A 51 6.297 -11.549 -3.957 1.00 0.00 O ATOM 0 H SER A 51 4.293 -11.994 -5.776 1.00 0.00 H new ATOM 0 HA SER A 51 7.053 -13.135 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.890 -13.059 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.550 -13.567 -3.584 1.00 0.00 H new ATOM 0 HG SER A 51 5.537 -10.960 -4.148 1.00 0.00 H new ATOM 753 N MET A 52 6.482 -15.492 -6.413 1.00 0.00 N ATOM 754 CA MET A 52 6.121 -16.906 -6.717 1.00 0.00 C ATOM 755 C MET A 52 6.999 -17.882 -5.925 1.00 0.00 C ATOM 756 O MET A 52 6.966 -19.075 -6.148 1.00 0.00 O ATOM 757 CB MET A 52 6.416 -17.045 -8.197 1.00 0.00 C ATOM 758 CG MET A 52 5.278 -16.422 -8.978 1.00 0.00 C ATOM 759 SD MET A 52 5.644 -14.695 -9.307 1.00 0.00 S ATOM 760 CE MET A 52 4.284 -14.476 -10.460 1.00 0.00 C ATOM 0 H MET A 52 7.448 -15.239 -6.619 1.00 0.00 H new ATOM 0 HA MET A 52 5.087 -17.132 -6.455 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.357 -16.553 -8.443 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.527 -18.096 -8.463 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.132 -16.958 -9.916 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.349 -16.506 -8.415 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.125 -13.412 -10.637 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.523 -14.969 -11.402 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.378 -14.913 -10.041 1.00 0.00 H new ATOM 770 N THR A 53 7.803 -17.389 -5.020 1.00 0.00 N ATOM 771 CA THR A 53 8.696 -18.305 -4.247 1.00 0.00 C ATOM 772 C THR A 53 7.933 -18.979 -3.100 1.00 0.00 C ATOM 773 O THR A 53 7.740 -20.178 -3.114 1.00 0.00 O ATOM 774 CB THR A 53 9.821 -17.416 -3.711 1.00 0.00 C ATOM 775 OG1 THR A 53 9.452 -16.051 -3.847 1.00 0.00 O ATOM 776 CG2 THR A 53 11.103 -17.680 -4.503 1.00 0.00 C ATOM 0 H THR A 53 7.881 -16.400 -4.783 1.00 0.00 H new ATOM 0 HA THR A 53 9.082 -19.113 -4.869 1.00 0.00 H new ATOM 0 HB THR A 53 9.992 -17.643 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.921 -15.517 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.904 -17.047 -4.121 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.387 -18.727 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.933 -17.455 -5.556 1.00 0.00 H new ATOM 784 N PRO A 54 7.521 -18.191 -2.141 1.00 0.00 N ATOM 785 CA PRO A 54 6.774 -18.742 -0.983 1.00 0.00 C ATOM 786 C PRO A 54 5.369 -19.163 -1.415 1.00 0.00 C ATOM 787 O PRO A 54 5.135 -20.296 -1.787 1.00 0.00 O ATOM 788 CB PRO A 54 6.721 -17.573 -0.001 1.00 0.00 C ATOM 789 CG PRO A 54 6.868 -16.349 -0.847 1.00 0.00 C ATOM 790 CD PRO A 54 7.700 -16.737 -2.041 1.00 0.00 C ATOM 0 HA PRO A 54 7.238 -19.629 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.780 -17.562 0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.520 -17.641 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.892 -15.978 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.349 -15.548 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 54 7.362 -16.230 -2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.748 -16.473 -1.900 1.00 0.00 H new ATOM 798 N HIS A 55 4.435 -18.257 -1.377 1.00 0.00 N ATOM 799 CA HIS A 55 3.043 -18.598 -1.795 1.00 0.00 C ATOM 800 C HIS A 55 2.742 -17.921 -3.131 1.00 0.00 C ATOM 801 O HIS A 55 2.280 -16.798 -3.173 1.00 0.00 O ATOM 802 CB HIS A 55 2.100 -18.052 -0.701 1.00 0.00 C ATOM 803 CG HIS A 55 2.873 -17.651 0.531 1.00 0.00 C ATOM 804 ND1 HIS A 55 3.587 -16.466 0.597 1.00 0.00 N ATOM 805 CD2 HIS A 55 3.062 -18.272 1.741 1.00 0.00 C ATOM 806 CE1 HIS A 55 4.171 -16.412 1.805 1.00 0.00 C ATOM 807 NE2 HIS A 55 3.883 -17.486 2.545 1.00 0.00 N ATOM 0 H HIS A 55 4.573 -17.293 -1.075 1.00 0.00 H new ATOM 0 HA HIS A 55 2.912 -19.673 -1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.551 -17.192 -1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.362 -18.811 -0.440 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.639 -19.224 2.025 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.798 -15.598 2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.197 -17.687 3.494 1.00 0.00 H new ATOM 815 N TRP A 56 3.004 -18.582 -4.226 1.00 0.00 N ATOM 816 CA TRP A 56 2.729 -17.944 -5.543 1.00 0.00 C ATOM 817 C TRP A 56 1.303 -17.388 -5.554 1.00 0.00 C ATOM 818 O TRP A 56 0.371 -18.035 -5.120 1.00 0.00 O ATOM 819 CB TRP A 56 2.895 -19.057 -6.595 1.00 0.00 C ATOM 820 CG TRP A 56 2.693 -18.473 -7.962 1.00 0.00 C ATOM 821 CD1 TRP A 56 1.632 -17.733 -8.325 1.00 0.00 C ATOM 822 CD2 TRP A 56 3.537 -18.561 -9.150 1.00 0.00 C ATOM 823 NE1 TRP A 56 1.779 -17.330 -9.623 1.00 0.00 N ATOM 824 CE2 TRP A 56 2.926 -17.818 -10.186 1.00 0.00 C ATOM 825 CE3 TRP A 56 4.757 -19.187 -9.429 1.00 0.00 C ATOM 826 CZ2 TRP A 56 3.497 -17.702 -11.450 1.00 0.00 C ATOM 827 CZ3 TRP A 56 5.340 -19.071 -10.705 1.00 0.00 C ATOM 828 CH2 TRP A 56 4.710 -18.331 -11.712 1.00 0.00 C ATOM 0 H TRP A 56 3.392 -19.525 -4.266 1.00 0.00 H new ATOM 0 HA TRP A 56 3.404 -17.113 -5.748 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.887 -19.502 -6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.174 -19.854 -6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 56 0.792 -17.493 -7.689 1.00 0.00 H new ATOM 0 HE1 TRP A 56 1.112 -16.735 -10.114 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.254 -19.762 -8.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 3.003 -17.129 -12.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.282 -19.558 -10.909 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.164 -18.249 -12.689 1.00 0.00 H new ATOM 839 N HIS A 57 1.124 -16.195 -6.062 1.00 0.00 N ATOM 840 CA HIS A 57 -0.246 -15.605 -6.113 1.00 0.00 C ATOM 841 C HIS A 57 -0.761 -15.566 -7.562 1.00 0.00 C ATOM 842 O HIS A 57 -0.018 -15.763 -8.503 1.00 0.00 O ATOM 843 CB HIS A 57 -0.090 -14.189 -5.523 1.00 0.00 C ATOM 844 CG HIS A 57 -0.034 -13.146 -6.616 1.00 0.00 C ATOM 845 ND1 HIS A 57 0.667 -13.347 -7.797 1.00 0.00 N ATOM 846 CD2 HIS A 57 -0.596 -11.898 -6.724 1.00 0.00 C ATOM 847 CE1 HIS A 57 0.507 -12.246 -8.556 1.00 0.00 C ATOM 848 NE2 HIS A 57 -0.253 -11.332 -7.948 1.00 0.00 N ATOM 0 H HIS A 57 1.865 -15.606 -6.442 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.976 -16.190 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.925 -13.976 -4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.818 -14.140 -4.923 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.205 -14.177 -8.045 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.212 -11.427 -5.972 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.941 -12.118 -9.537 1.00 0.00 H new ATOM 856 N GLN A 58 -2.025 -15.298 -7.744 1.00 0.00 N ATOM 857 CA GLN A 58 -2.582 -15.234 -9.125 1.00 0.00 C ATOM 858 C GLN A 58 -3.431 -13.971 -9.289 1.00 0.00 C ATOM 859 O GLN A 58 -4.572 -14.024 -9.704 1.00 0.00 O ATOM 860 CB GLN A 58 -3.445 -16.489 -9.266 1.00 0.00 C ATOM 861 CG GLN A 58 -2.549 -17.696 -9.552 1.00 0.00 C ATOM 862 CD GLN A 58 -2.195 -17.729 -11.040 1.00 0.00 C ATOM 863 OE1 GLN A 58 -3.137 -17.554 -11.926 1.00 0.00 O flip ATOM 864 NE2 GLN A 58 -1.050 -17.917 -11.400 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.696 -15.121 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.802 -15.194 -9.886 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.016 -16.655 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.166 -16.359 -10.073 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.640 -17.638 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.060 -18.616 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.314 -18.054 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.825 -17.938 -12.395 1.00 0.00 H new ATOM 873 N ARG A 59 -2.879 -12.834 -8.965 1.00 0.00 N ATOM 874 CA ARG A 59 -3.645 -11.561 -9.098 1.00 0.00 C ATOM 875 C ARG A 59 -2.678 -10.391 -9.293 1.00 0.00 C ATOM 876 O ARG A 59 -2.916 -9.290 -8.838 1.00 0.00 O ATOM 877 CB ARG A 59 -4.405 -11.416 -7.780 1.00 0.00 C ATOM 878 CG ARG A 59 -5.881 -11.750 -8.003 1.00 0.00 C ATOM 879 CD ARG A 59 -6.220 -13.066 -7.299 1.00 0.00 C ATOM 880 NE ARG A 59 -7.646 -13.328 -7.638 1.00 0.00 N ATOM 881 CZ ARG A 59 -8.308 -14.257 -7.004 1.00 0.00 C ATOM 882 NH1 ARG A 59 -8.036 -15.515 -7.219 1.00 0.00 N ATOM 883 NH2 ARG A 59 -9.242 -13.928 -6.153 1.00 0.00 N ATOM 0 H ARG A 59 -1.927 -12.731 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.319 -11.567 -9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.980 -12.081 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.305 -10.399 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.509 -10.947 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.089 -11.832 -9.070 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.577 -13.875 -7.645 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.079 -12.985 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.106 -12.781 -8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.306 -15.773 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.554 -16.241 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.454 -12.945 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.759 -14.654 -5.658 1.00 0.00 H new ATOM 897 N THR A 60 -1.585 -10.626 -9.966 1.00 0.00 N ATOM 898 CA THR A 60 -0.592 -9.536 -10.193 1.00 0.00 C ATOM 899 C THR A 60 -1.275 -8.285 -10.716 1.00 0.00 C ATOM 900 O THR A 60 -2.464 -8.262 -10.966 1.00 0.00 O ATOM 901 CB THR A 60 0.346 -10.063 -11.275 1.00 0.00 C ATOM 902 OG1 THR A 60 1.098 -8.983 -11.811 1.00 0.00 O ATOM 903 CG2 THR A 60 -0.480 -10.711 -12.387 1.00 0.00 C ATOM 0 H THR A 60 -1.335 -11.529 -10.370 1.00 0.00 H new ATOM 0 HA THR A 60 -0.078 -9.277 -9.267 1.00 0.00 H new ATOM 0 HB THR A 60 1.024 -10.801 -10.847 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.703 -9.318 -12.505 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.187 -11.089 -13.162 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.062 -11.536 -11.975 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.155 -9.971 -12.818 1.00 0.00 H new ATOM 911 N THR A 61 -0.513 -7.255 -10.922 1.00 0.00 N ATOM 912 CA THR A 61 -1.088 -6.013 -11.475 1.00 0.00 C ATOM 913 C THR A 61 -1.317 -6.214 -12.969 1.00 0.00 C ATOM 914 O THR A 61 -1.995 -5.440 -13.614 1.00 0.00 O ATOM 915 CB THR A 61 -0.043 -4.932 -11.216 1.00 0.00 C ATOM 916 OG1 THR A 61 1.236 -5.535 -11.069 1.00 0.00 O ATOM 917 CG2 THR A 61 -0.411 -4.186 -9.937 1.00 0.00 C ATOM 0 H THR A 61 0.488 -7.223 -10.729 1.00 0.00 H new ATOM 0 HA THR A 61 -2.043 -5.740 -11.025 1.00 0.00 H new ATOM 0 HB THR A 61 -0.014 -4.234 -12.053 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.908 -4.841 -10.904 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.330 -3.411 -9.742 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.394 -3.728 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.432 -4.885 -9.101 1.00 0.00 H new ATOM 925 N GLU A 62 -0.769 -7.269 -13.524 1.00 0.00 N ATOM 926 CA GLU A 62 -0.979 -7.523 -14.964 1.00 0.00 C ATOM 927 C GLU A 62 -2.453 -7.808 -15.173 1.00 0.00 C ATOM 928 O GLU A 62 -3.019 -7.538 -16.213 1.00 0.00 O ATOM 929 CB GLU A 62 -0.127 -8.748 -15.296 1.00 0.00 C ATOM 930 CG GLU A 62 -0.426 -9.208 -16.726 1.00 0.00 C ATOM 931 CD GLU A 62 0.789 -8.944 -17.618 1.00 0.00 C ATOM 932 OE1 GLU A 62 1.753 -8.382 -17.125 1.00 0.00 O ATOM 933 OE2 GLU A 62 0.735 -9.308 -18.782 1.00 0.00 O ATOM 0 H GLU A 62 -0.191 -7.954 -13.037 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.699 -6.684 -15.600 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.931 -8.506 -15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.339 -9.553 -14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.670 -10.270 -16.733 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.296 -8.678 -17.114 1.00 0.00 H new ATOM 940 N TYR A 63 -3.083 -8.325 -14.160 1.00 0.00 N ATOM 941 CA TYR A 63 -4.530 -8.602 -14.255 1.00 0.00 C ATOM 942 C TYR A 63 -5.299 -7.359 -13.807 1.00 0.00 C ATOM 943 O TYR A 63 -6.512 -7.306 -13.870 1.00 0.00 O ATOM 944 CB TYR A 63 -4.785 -9.770 -13.303 1.00 0.00 C ATOM 945 CG TYR A 63 -5.832 -10.680 -13.898 1.00 0.00 C ATOM 946 CD1 TYR A 63 -5.600 -11.299 -15.131 1.00 0.00 C ATOM 947 CD2 TYR A 63 -7.036 -10.901 -13.219 1.00 0.00 C ATOM 948 CE1 TYR A 63 -6.571 -12.141 -15.685 1.00 0.00 C ATOM 949 CE2 TYR A 63 -8.008 -11.744 -13.773 1.00 0.00 C ATOM 950 CZ TYR A 63 -7.775 -12.363 -15.007 1.00 0.00 C ATOM 951 OH TYR A 63 -8.733 -13.193 -15.553 1.00 0.00 O ATOM 0 H TYR A 63 -2.652 -8.567 -13.268 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.851 -8.846 -15.268 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.861 -10.323 -13.132 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.118 -9.398 -12.334 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.672 -11.127 -15.655 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.216 -10.422 -12.268 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.391 -12.620 -16.636 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.936 -11.916 -13.249 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.507 -13.238 -14.953 1.00 0.00 H new ATOM 961 N TYR A 64 -4.593 -6.353 -13.352 1.00 0.00 N ATOM 962 CA TYR A 64 -5.274 -5.108 -12.897 1.00 0.00 C ATOM 963 C TYR A 64 -4.472 -3.879 -13.334 1.00 0.00 C ATOM 964 O TYR A 64 -3.504 -3.512 -12.699 1.00 0.00 O ATOM 965 CB TYR A 64 -5.305 -5.215 -11.372 1.00 0.00 C ATOM 966 CG TYR A 64 -6.619 -5.818 -10.939 1.00 0.00 C ATOM 967 CD1 TYR A 64 -7.742 -5.000 -10.774 1.00 0.00 C ATOM 968 CD2 TYR A 64 -6.714 -7.195 -10.703 1.00 0.00 C ATOM 969 CE1 TYR A 64 -8.961 -5.558 -10.372 1.00 0.00 C ATOM 970 CE2 TYR A 64 -7.933 -7.753 -10.301 1.00 0.00 C ATOM 971 CZ TYR A 64 -9.057 -6.935 -10.136 1.00 0.00 C ATOM 972 OH TYR A 64 -10.259 -7.484 -9.740 1.00 0.00 O ATOM 0 H TYR A 64 -3.576 -6.343 -13.277 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.273 -5.001 -13.320 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.477 -5.831 -11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.180 -4.229 -10.925 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.668 -3.938 -10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.847 -7.826 -10.831 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.828 -4.927 -10.244 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.006 -8.815 -10.118 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.153 -8.451 -9.620 1.00 0.00 H new ATOM 982 N PRO A 65 -4.906 -3.285 -14.412 1.00 0.00 N ATOM 983 CA PRO A 65 -4.221 -2.085 -14.948 1.00 0.00 C ATOM 984 C PRO A 65 -4.525 -0.862 -14.076 1.00 0.00 C ATOM 985 O PRO A 65 -3.955 0.196 -14.254 1.00 0.00 O ATOM 986 CB PRO A 65 -4.821 -1.922 -16.341 1.00 0.00 C ATOM 987 CG PRO A 65 -6.158 -2.588 -16.271 1.00 0.00 C ATOM 988 CD PRO A 65 -6.064 -3.672 -15.226 1.00 0.00 C ATOM 0 HA PRO A 65 -3.136 -2.183 -14.966 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.919 -0.870 -16.607 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.189 -2.385 -17.099 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.933 -1.868 -16.009 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.429 -3.010 -17.239 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.972 -3.727 -14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.922 -4.653 -15.680 1.00 0.00 H new ATOM 996 N ASN A 66 -5.418 -1.000 -13.135 1.00 0.00 N ATOM 997 CA ASN A 66 -5.757 0.155 -12.255 1.00 0.00 C ATOM 998 C ASN A 66 -5.908 -0.308 -10.803 1.00 0.00 C ATOM 999 O ASN A 66 -6.860 0.032 -10.129 1.00 0.00 O ATOM 1000 CB ASN A 66 -7.089 0.683 -12.790 1.00 0.00 C ATOM 1001 CG ASN A 66 -6.847 1.478 -14.075 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -6.006 1.119 -14.876 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -7.554 2.550 -14.309 1.00 0.00 N ATOM 0 H ASN A 66 -5.927 -1.861 -12.937 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.981 0.920 -12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.768 -0.147 -12.986 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.567 1.317 -12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.401 3.086 -15.163 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.260 2.852 -13.638 1.00 0.00 H new ATOM 1010 N GLY A 67 -4.974 -1.080 -10.316 1.00 0.00 N ATOM 1011 CA GLY A 67 -5.065 -1.561 -8.908 1.00 0.00 C ATOM 1012 C GLY A 67 -4.320 -0.592 -7.990 1.00 0.00 C ATOM 1013 O GLY A 67 -4.851 -0.124 -7.002 1.00 0.00 O ATOM 0 H GLY A 67 -4.153 -1.398 -10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.109 -1.636 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.636 -2.560 -8.825 1.00 0.00 H new ATOM 1017 N GLY A 68 -3.091 -0.288 -8.307 1.00 0.00 N ATOM 1018 CA GLY A 68 -2.310 0.648 -7.451 1.00 0.00 C ATOM 1019 C GLY A 68 -1.537 -0.151 -6.402 1.00 0.00 C ATOM 1020 O GLY A 68 -0.938 0.403 -5.501 1.00 0.00 O ATOM 0 H GLY A 68 -2.594 -0.648 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.620 1.229 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.979 1.358 -6.964 1.00 0.00 H new ATOM 1024 N LEU A 69 -1.545 -1.452 -6.514 1.00 0.00 N ATOM 1025 CA LEU A 69 -0.811 -2.292 -5.526 1.00 0.00 C ATOM 1026 C LEU A 69 0.328 -3.032 -6.215 1.00 0.00 C ATOM 1027 O LEU A 69 0.766 -4.074 -5.778 1.00 0.00 O ATOM 1028 CB LEU A 69 -1.848 -3.275 -5.005 1.00 0.00 C ATOM 1029 CG LEU A 69 -2.471 -4.037 -6.172 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -2.296 -5.540 -5.947 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -3.961 -3.700 -6.253 1.00 0.00 C ATOM 0 H LEU A 69 -2.029 -1.969 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.368 -1.702 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.383 -3.974 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.622 -2.742 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.981 -3.752 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.740 -6.087 -6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.234 -5.777 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.789 -5.829 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.412 -4.241 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.451 -3.990 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.084 -2.628 -6.409 1.00 0.00 H new ATOM 1043 N THR A 70 0.807 -2.493 -7.289 1.00 0.00 N ATOM 1044 CA THR A 70 1.923 -3.155 -8.024 1.00 0.00 C ATOM 1045 C THR A 70 3.045 -3.532 -7.052 1.00 0.00 C ATOM 1046 O THR A 70 3.266 -2.869 -6.058 1.00 0.00 O ATOM 1047 CB THR A 70 2.413 -2.110 -9.028 1.00 0.00 C ATOM 1048 OG1 THR A 70 3.445 -2.672 -9.827 1.00 0.00 O ATOM 1049 CG2 THR A 70 2.952 -0.891 -8.279 1.00 0.00 C ATOM 0 H THR A 70 0.477 -1.618 -7.698 1.00 0.00 H new ATOM 0 HA THR A 70 1.605 -4.074 -8.516 1.00 0.00 H new ATOM 0 HB THR A 70 1.584 -1.803 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.759 -2.005 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.300 -0.148 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.160 -0.461 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.781 -1.194 -7.639 1.00 0.00 H new ATOM 1057 N ARG A 71 3.755 -4.593 -7.333 1.00 0.00 N ATOM 1058 CA ARG A 71 4.866 -5.018 -6.429 1.00 0.00 C ATOM 1059 C ARG A 71 4.305 -5.574 -5.109 1.00 0.00 C ATOM 1060 O ARG A 71 3.462 -6.448 -5.107 1.00 0.00 O ATOM 1061 CB ARG A 71 5.691 -3.751 -6.190 1.00 0.00 C ATOM 1062 CG ARG A 71 7.115 -4.137 -5.782 1.00 0.00 C ATOM 1063 CD ARG A 71 7.671 -3.090 -4.813 1.00 0.00 C ATOM 1064 NE ARG A 71 9.143 -3.099 -5.036 1.00 0.00 N ATOM 1065 CZ ARG A 71 9.782 -1.976 -5.226 1.00 0.00 C ATOM 1066 NH1 ARG A 71 9.310 -0.865 -4.729 1.00 0.00 N ATOM 1067 NH2 ARG A 71 10.893 -1.965 -5.911 1.00 0.00 N ATOM 0 H ARG A 71 3.614 -5.185 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 71 5.470 -5.815 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.713 -3.143 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.229 -3.146 -5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.116 -5.120 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.751 -4.206 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.248 -2.105 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.427 -3.339 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 71 9.653 -3.983 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.443 -0.874 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.809 0.012 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.262 -2.834 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.392 -1.088 -6.059 1.00 0.00 H new ATOM 1081 N ASN A 72 4.772 -5.086 -3.988 1.00 0.00 N ATOM 1082 CA ASN A 72 4.268 -5.598 -2.679 1.00 0.00 C ATOM 1083 C ASN A 72 3.285 -4.602 -2.054 1.00 0.00 C ATOM 1084 O ASN A 72 2.892 -4.741 -0.915 1.00 0.00 O ATOM 1085 CB ASN A 72 5.521 -5.723 -1.806 1.00 0.00 C ATOM 1086 CG ASN A 72 5.962 -4.331 -1.343 1.00 0.00 C ATOM 1087 OD1 ASN A 72 5.222 -3.683 -0.484 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 6.985 -3.831 -1.765 1.00 0.00 N flip ATOM 0 H ASN A 72 5.481 -4.355 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 72 3.735 -6.543 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.314 -6.356 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.323 -6.202 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.562 -4.339 -2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.268 -2.903 -1.449 1.00 0.00 H new ATOM 1095 N TYR A 73 2.898 -3.588 -2.774 1.00 0.00 N ATOM 1096 CA TYR A 73 1.958 -2.588 -2.188 1.00 0.00 C ATOM 1097 C TYR A 73 0.765 -3.296 -1.545 1.00 0.00 C ATOM 1098 O TYR A 73 0.396 -4.390 -1.922 1.00 0.00 O ATOM 1099 CB TYR A 73 1.496 -1.730 -3.369 1.00 0.00 C ATOM 1100 CG TYR A 73 2.587 -0.760 -3.770 1.00 0.00 C ATOM 1101 CD1 TYR A 73 3.900 -0.942 -3.315 1.00 0.00 C ATOM 1102 CD2 TYR A 73 2.281 0.324 -4.603 1.00 0.00 C ATOM 1103 CE1 TYR A 73 4.903 -0.041 -3.692 1.00 0.00 C ATOM 1104 CE2 TYR A 73 3.285 1.224 -4.980 1.00 0.00 C ATOM 1105 CZ TYR A 73 4.596 1.041 -4.525 1.00 0.00 C ATOM 1106 OH TYR A 73 5.585 1.929 -4.896 1.00 0.00 O ATOM 0 H TYR A 73 3.188 -3.407 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 73 2.431 -1.989 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.239 -2.369 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.594 -1.182 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.138 -1.777 -2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.270 0.466 -4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.914 -0.181 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.048 2.060 -5.622 1.00 0.00 H new ATOM 0 HH TYR A 73 5.203 2.620 -5.476 1.00 0.00 H new ATOM 1116 N CYS A 74 0.164 -2.671 -0.575 1.00 0.00 N ATOM 1117 CA CYS A 74 -1.010 -3.285 0.109 1.00 0.00 C ATOM 1118 C CYS A 74 -2.299 -2.617 -0.368 1.00 0.00 C ATOM 1119 O CYS A 74 -2.463 -1.418 -0.264 1.00 0.00 O ATOM 1120 CB CYS A 74 -0.782 -3.015 1.594 1.00 0.00 C ATOM 1121 SG CYS A 74 -2.160 -3.692 2.549 1.00 0.00 S ATOM 0 H CYS A 74 0.436 -1.754 -0.222 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.107 -4.350 -0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.155 -3.468 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.695 -1.943 1.770 1.00 0.00 H new ATOM 1126 N ARG A 75 -3.211 -3.384 -0.895 1.00 0.00 N ATOM 1127 CA ARG A 75 -4.489 -2.797 -1.390 1.00 0.00 C ATOM 1128 C ARG A 75 -5.673 -3.651 -0.929 1.00 0.00 C ATOM 1129 O ARG A 75 -5.502 -4.724 -0.387 1.00 0.00 O ATOM 1130 CB ARG A 75 -4.358 -2.836 -2.912 1.00 0.00 C ATOM 1131 CG ARG A 75 -4.184 -1.410 -3.459 1.00 0.00 C ATOM 1132 CD ARG A 75 -3.147 -0.659 -2.621 1.00 0.00 C ATOM 1133 NE ARG A 75 -2.777 0.526 -3.442 1.00 0.00 N ATOM 1134 CZ ARG A 75 -3.552 1.576 -3.457 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -3.418 2.499 -2.544 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -4.463 1.700 -4.383 1.00 0.00 N ATOM 0 H ARG A 75 -3.127 -4.395 -1.005 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.664 -1.788 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.504 -3.451 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.243 -3.297 -3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.866 -1.446 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.137 -0.882 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.560 -0.359 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.278 -1.284 -2.415 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.918 0.518 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.708 2.400 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.024 3.320 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.569 0.977 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.069 2.520 -4.395 1.00 0.00 H new ATOM 1150 N ASN A 76 -6.872 -3.184 -1.141 1.00 0.00 N ATOM 1151 CA ASN A 76 -8.063 -3.971 -0.715 1.00 0.00 C ATOM 1152 C ASN A 76 -8.960 -4.265 -1.919 1.00 0.00 C ATOM 1153 O ASN A 76 -10.057 -3.753 -2.016 1.00 0.00 O ATOM 1154 CB ASN A 76 -8.793 -3.078 0.288 1.00 0.00 C ATOM 1155 CG ASN A 76 -9.805 -3.913 1.074 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -9.755 -5.127 1.053 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -10.729 -3.310 1.772 1.00 0.00 N ATOM 0 H ASN A 76 -7.079 -2.292 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.787 -4.932 -0.280 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.077 -2.619 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.302 -2.267 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.409 -3.858 2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.771 -2.291 1.790 1.00 0.00 H new ATOM 1164 N PRO A 77 -8.460 -5.088 -2.800 1.00 0.00 N ATOM 1165 CA PRO A 77 -9.226 -5.461 -4.013 1.00 0.00 C ATOM 1166 C PRO A 77 -10.381 -6.398 -3.645 1.00 0.00 C ATOM 1167 O PRO A 77 -10.514 -7.478 -4.185 1.00 0.00 O ATOM 1168 CB PRO A 77 -8.195 -6.173 -4.884 1.00 0.00 C ATOM 1169 CG PRO A 77 -7.165 -6.684 -3.928 1.00 0.00 C ATOM 1170 CD PRO A 77 -7.149 -5.744 -2.749 1.00 0.00 C ATOM 0 HA PRO A 77 -9.679 -4.607 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.650 -6.988 -5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.754 -5.491 -5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.405 -7.698 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.185 -6.723 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.008 -6.282 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.337 -5.021 -2.826 1.00 0.00 H new ATOM 1178 N ASP A 78 -11.218 -5.989 -2.730 1.00 0.00 N ATOM 1179 CA ASP A 78 -12.366 -6.847 -2.326 1.00 0.00 C ATOM 1180 C ASP A 78 -13.435 -5.989 -1.648 1.00 0.00 C ATOM 1181 O ASP A 78 -14.292 -5.425 -2.301 1.00 0.00 O ATOM 1182 CB ASP A 78 -11.781 -7.862 -1.343 1.00 0.00 C ATOM 1183 CG ASP A 78 -11.443 -9.157 -2.085 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -12.321 -9.681 -2.750 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -10.313 -9.601 -1.974 1.00 0.00 O ATOM 0 H ASP A 78 -11.155 -5.094 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.839 -7.340 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.885 -7.455 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.495 -8.064 -0.545 1.00 0.00 H new ATOM 1190 N ALA A 79 -13.385 -5.873 -0.344 1.00 0.00 N ATOM 1191 CA ALA A 79 -14.390 -5.042 0.382 1.00 0.00 C ATOM 1192 C ALA A 79 -14.364 -5.366 1.879 1.00 0.00 C ATOM 1193 O ALA A 79 -15.392 -5.467 2.519 1.00 0.00 O ATOM 1194 CB ALA A 79 -15.747 -5.416 -0.218 1.00 0.00 C ATOM 0 H ALA A 79 -12.687 -6.321 0.250 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.183 -3.977 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.532 -4.840 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -15.746 -5.195 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.930 -6.480 -0.068 1.00 0.00 H new ATOM 1200 N GLU A 80 -13.198 -5.529 2.443 1.00 0.00 N ATOM 1201 CA GLU A 80 -13.113 -5.843 3.900 1.00 0.00 C ATOM 1202 C GLU A 80 -12.920 -4.557 4.703 1.00 0.00 C ATOM 1203 O GLU A 80 -13.034 -3.465 4.183 1.00 0.00 O ATOM 1204 CB GLU A 80 -11.885 -6.744 4.062 1.00 0.00 C ATOM 1205 CG GLU A 80 -11.790 -7.719 2.889 1.00 0.00 C ATOM 1206 CD GLU A 80 -13.068 -8.558 2.815 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -13.820 -8.542 3.776 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -13.273 -9.201 1.799 1.00 0.00 O ATOM 0 H GLU A 80 -12.302 -5.459 1.960 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.021 -6.326 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.982 -6.135 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.951 -7.296 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.648 -7.171 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.923 -8.368 3.012 1.00 0.00 H new ATOM 1215 N ILE A 81 -12.611 -4.679 5.964 1.00 0.00 N ATOM 1216 CA ILE A 81 -12.393 -3.462 6.793 1.00 0.00 C ATOM 1217 C ILE A 81 -11.237 -2.649 6.213 1.00 0.00 C ATOM 1218 O ILE A 81 -11.181 -1.442 6.342 1.00 0.00 O ATOM 1219 CB ILE A 81 -12.019 -3.985 8.177 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -10.918 -5.039 8.050 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -13.244 -4.611 8.841 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -9.617 -4.482 8.628 1.00 0.00 C ATOM 0 H ILE A 81 -12.500 -5.566 6.455 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.271 -2.817 6.823 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.660 -3.155 8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.205 -5.947 8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.778 -5.311 7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.972 -4.983 9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.028 -3.860 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.607 -5.437 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.830 -5.231 8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.329 -3.586 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.763 -4.232 9.679 1.00 0.00 H new ATOM 1234 N SER A 82 -10.312 -3.312 5.579 1.00 0.00 N ATOM 1235 CA SER A 82 -9.148 -2.596 4.987 1.00 0.00 C ATOM 1236 C SER A 82 -8.438 -3.496 3.971 1.00 0.00 C ATOM 1237 O SER A 82 -8.869 -4.603 3.716 1.00 0.00 O ATOM 1238 CB SER A 82 -8.232 -2.288 6.173 1.00 0.00 C ATOM 1239 OG SER A 82 -7.051 -3.075 6.078 1.00 0.00 O ATOM 0 H SER A 82 -10.312 -4.323 5.445 1.00 0.00 H new ATOM 0 HA SER A 82 -9.441 -1.691 4.455 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.976 -1.229 6.183 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.748 -2.500 7.109 1.00 0.00 H new ATOM 0 HG SER A 82 -6.622 -3.128 6.957 1.00 0.00 H new ATOM 1245 N PRO A 83 -7.371 -2.985 3.421 1.00 0.00 N ATOM 1246 CA PRO A 83 -6.593 -3.751 2.418 1.00 0.00 C ATOM 1247 C PRO A 83 -5.798 -4.878 3.083 1.00 0.00 C ATOM 1248 O PRO A 83 -5.532 -4.856 4.268 1.00 0.00 O ATOM 1249 CB PRO A 83 -5.658 -2.706 1.816 1.00 0.00 C ATOM 1250 CG PRO A 83 -5.519 -1.654 2.869 1.00 0.00 C ATOM 1251 CD PRO A 83 -6.793 -1.660 3.676 1.00 0.00 C ATOM 0 HA PRO A 83 -7.224 -4.235 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -4.691 -3.141 1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.071 -2.291 0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.659 -1.859 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.355 -0.676 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.594 -1.509 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.468 -0.863 3.362 1.00 0.00 H new ATOM 1259 N TRP A 84 -5.415 -5.859 2.314 1.00 0.00 N ATOM 1260 CA TRP A 84 -4.629 -6.999 2.873 1.00 0.00 C ATOM 1261 C TRP A 84 -3.386 -7.229 2.010 1.00 0.00 C ATOM 1262 O TRP A 84 -3.165 -6.534 1.038 1.00 0.00 O ATOM 1263 CB TRP A 84 -5.561 -8.219 2.822 1.00 0.00 C ATOM 1264 CG TRP A 84 -6.430 -8.157 1.604 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -7.487 -7.326 1.447 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -6.341 -8.940 0.377 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -8.050 -7.548 0.203 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -7.379 -8.533 -0.493 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -5.468 -9.953 -0.061 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -7.546 -9.109 -1.753 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -5.634 -10.535 -1.329 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -6.671 -10.114 -2.172 1.00 0.00 C ATOM 0 H TRP A 84 -5.613 -5.922 1.315 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.292 -6.809 3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -4.971 -9.136 2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.181 -8.250 3.718 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.834 -6.607 2.174 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.862 -7.045 -0.156 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -4.666 -10.285 0.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -8.346 -8.780 -2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.958 -11.311 -1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.794 -10.566 -3.145 1.00 0.00 H new ATOM 1283 N CYS A 85 -2.561 -8.183 2.351 1.00 0.00 N ATOM 1284 CA CYS A 85 -1.340 -8.409 1.528 1.00 0.00 C ATOM 1285 C CYS A 85 -0.644 -9.716 1.913 1.00 0.00 C ATOM 1286 O CYS A 85 -0.670 -10.136 3.054 1.00 0.00 O ATOM 1287 CB CYS A 85 -0.440 -7.219 1.853 1.00 0.00 C ATOM 1288 SG CYS A 85 0.187 -6.496 0.320 1.00 0.00 S ATOM 0 H CYS A 85 -2.677 -8.806 3.150 1.00 0.00 H new ATOM 0 HA CYS A 85 -1.575 -8.489 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.998 -6.472 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.391 -7.539 2.482 1.00 0.00 H new ATOM 1293 N TYR A 86 -0.004 -10.351 0.968 1.00 0.00 N ATOM 1294 CA TYR A 86 0.717 -11.617 1.277 1.00 0.00 C ATOM 1295 C TYR A 86 1.929 -11.301 2.152 1.00 0.00 C ATOM 1296 O TYR A 86 2.328 -10.162 2.272 1.00 0.00 O ATOM 1297 CB TYR A 86 1.164 -12.165 -0.081 1.00 0.00 C ATOM 1298 CG TYR A 86 0.000 -12.162 -1.047 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -1.315 -12.148 -0.564 1.00 0.00 C ATOM 1300 CD2 TYR A 86 0.237 -12.178 -2.427 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -2.390 -12.152 -1.458 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -0.839 -12.183 -3.321 1.00 0.00 C ATOM 1303 CZ TYR A 86 -2.153 -12.169 -2.837 1.00 0.00 C ATOM 1304 OH TYR A 86 -3.214 -12.174 -3.719 1.00 0.00 O ATOM 0 H TYR A 86 0.050 -10.047 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 86 0.098 -12.336 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.978 -11.558 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.549 -13.178 0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -1.499 -12.134 0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.250 -12.186 -2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.403 -12.142 -1.084 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.656 -12.198 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.290 -11.294 -4.144 1.00 0.00 H new ATOM 1314 N THR A 87 2.521 -12.285 2.765 1.00 0.00 N ATOM 1315 CA THR A 87 3.705 -12.005 3.627 1.00 0.00 C ATOM 1316 C THR A 87 4.994 -12.409 2.916 1.00 0.00 C ATOM 1317 O THR A 87 5.090 -13.474 2.339 1.00 0.00 O ATOM 1318 CB THR A 87 3.506 -12.864 4.872 1.00 0.00 C ATOM 1319 OG1 THR A 87 2.737 -14.006 4.536 1.00 0.00 O ATOM 1320 CG2 THR A 87 2.784 -12.056 5.947 1.00 0.00 C ATOM 0 H THR A 87 2.241 -13.264 2.709 1.00 0.00 H new ATOM 0 HA THR A 87 3.789 -10.945 3.865 1.00 0.00 H new ATOM 0 HB THR A 87 4.477 -13.178 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.335 -14.761 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.644 -12.674 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.379 -11.180 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.812 -11.736 5.571 1.00 0.00 H new ATOM 1328 N MET A 88 5.991 -11.569 2.961 1.00 0.00 N ATOM 1329 CA MET A 88 7.283 -11.905 2.296 1.00 0.00 C ATOM 1330 C MET A 88 7.926 -13.144 2.938 1.00 0.00 C ATOM 1331 O MET A 88 8.953 -13.614 2.490 1.00 0.00 O ATOM 1332 CB MET A 88 8.165 -10.674 2.510 1.00 0.00 C ATOM 1333 CG MET A 88 8.239 -10.348 4.003 1.00 0.00 C ATOM 1334 SD MET A 88 9.968 -10.102 4.481 1.00 0.00 S ATOM 1335 CE MET A 88 9.668 -9.711 6.222 1.00 0.00 C ATOM 0 H MET A 88 5.967 -10.663 3.430 1.00 0.00 H new ATOM 0 HA MET A 88 7.147 -12.140 1.240 1.00 0.00 H new ATOM 0 HB2 MET A 88 9.165 -10.858 2.118 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.759 -9.824 1.962 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.659 -9.451 4.220 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.801 -11.159 4.585 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.109 -8.743 6.459 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.594 -9.675 6.407 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.119 -10.479 6.850 1.00 0.00 H new ATOM 1345 N ASP A 89 7.340 -13.686 3.977 1.00 0.00 N ATOM 1346 CA ASP A 89 7.935 -14.887 4.616 1.00 0.00 C ATOM 1347 C ASP A 89 7.003 -16.087 4.438 1.00 0.00 C ATOM 1348 O ASP A 89 5.798 -15.961 4.530 1.00 0.00 O ATOM 1349 CB ASP A 89 8.070 -14.527 6.096 1.00 0.00 C ATOM 1350 CG ASP A 89 9.531 -14.199 6.409 1.00 0.00 C ATOM 1351 OD1 ASP A 89 10.042 -13.253 5.833 1.00 0.00 O ATOM 1352 OD2 ASP A 89 10.114 -14.900 7.219 1.00 0.00 O ATOM 0 H ASP A 89 6.479 -13.346 4.405 1.00 0.00 H new ATOM 0 HA ASP A 89 8.895 -15.158 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.435 -13.673 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.732 -15.357 6.716 1.00 0.00 H new ATOM 1357 N PRO A 90 7.604 -17.213 4.194 1.00 0.00 N ATOM 1358 CA PRO A 90 6.839 -18.469 4.004 1.00 0.00 C ATOM 1359 C PRO A 90 6.196 -18.893 5.324 1.00 0.00 C ATOM 1360 O PRO A 90 5.407 -19.816 5.376 1.00 0.00 O ATOM 1361 CB PRO A 90 7.900 -19.471 3.557 1.00 0.00 C ATOM 1362 CG PRO A 90 9.185 -18.922 4.089 1.00 0.00 C ATOM 1363 CD PRO A 90 9.046 -17.422 4.078 1.00 0.00 C ATOM 0 HA PRO A 90 6.025 -18.380 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.699 -20.466 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.927 -19.562 2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.374 -19.287 5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.027 -19.238 3.473 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.586 -16.963 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.442 -16.989 3.160 1.00 0.00 H new ATOM 1371 N ASN A 91 6.518 -18.214 6.389 1.00 0.00 N ATOM 1372 CA ASN A 91 5.915 -18.563 7.702 1.00 0.00 C ATOM 1373 C ASN A 91 4.509 -17.972 7.776 1.00 0.00 C ATOM 1374 O ASN A 91 3.700 -18.356 8.598 1.00 0.00 O ATOM 1375 CB ASN A 91 6.829 -17.917 8.744 1.00 0.00 C ATOM 1376 CG ASN A 91 7.746 -18.979 9.353 1.00 0.00 C ATOM 1377 OD1 ASN A 91 7.887 -19.059 10.557 1.00 0.00 O ATOM 1378 ND2 ASN A 91 8.381 -19.803 8.565 1.00 0.00 N ATOM 0 H ASN A 91 7.173 -17.432 6.406 1.00 0.00 H new ATOM 0 HA ASN A 91 5.830 -19.638 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.425 -17.130 8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.231 -17.447 9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.996 -20.515 8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.262 -19.736 7.554 1.00 0.00 H new ATOM 1385 N VAL A 92 4.216 -17.036 6.916 1.00 0.00 N ATOM 1386 CA VAL A 92 2.870 -16.410 6.921 1.00 0.00 C ATOM 1387 C VAL A 92 2.245 -16.500 5.526 1.00 0.00 C ATOM 1388 O VAL A 92 2.908 -16.309 4.527 1.00 0.00 O ATOM 1389 CB VAL A 92 3.126 -14.952 7.301 1.00 0.00 C ATOM 1390 CG1 VAL A 92 1.789 -14.219 7.419 1.00 0.00 C ATOM 1391 CG2 VAL A 92 3.855 -14.900 8.646 1.00 0.00 C ATOM 0 H VAL A 92 4.856 -16.678 6.207 1.00 0.00 H new ATOM 0 HA VAL A 92 2.181 -16.900 7.609 1.00 0.00 H new ATOM 0 HB VAL A 92 3.738 -14.475 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.967 -13.178 7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.266 -14.261 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.180 -14.695 8.187 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.039 -13.861 8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.240 -15.374 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.805 -15.428 8.565 1.00 0.00 H new ATOM 1401 N ARG A 93 0.975 -16.787 5.448 1.00 0.00 N ATOM 1402 CA ARG A 93 0.317 -16.880 4.123 1.00 0.00 C ATOM 1403 C ARG A 93 -0.125 -15.489 3.665 1.00 0.00 C ATOM 1404 O ARG A 93 0.313 -14.986 2.649 1.00 0.00 O ATOM 1405 CB ARG A 93 -0.896 -17.785 4.342 1.00 0.00 C ATOM 1406 CG ARG A 93 -1.546 -18.101 2.993 1.00 0.00 C ATOM 1407 CD ARG A 93 -0.733 -19.180 2.274 1.00 0.00 C ATOM 1408 NE ARG A 93 -1.737 -20.188 1.838 1.00 0.00 N ATOM 1409 CZ ARG A 93 -1.760 -21.369 2.391 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -0.687 -22.113 2.387 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -2.855 -21.807 2.949 1.00 0.00 N ATOM 0 H ARG A 93 0.367 -16.961 6.248 1.00 0.00 H new ATOM 0 HA ARG A 93 0.982 -17.276 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.591 -18.708 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.615 -17.295 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.571 -18.442 3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.596 -17.200 2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.193 -18.766 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.010 -19.623 2.938 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.408 -19.955 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.169 -21.771 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.705 -23.037 2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.693 -21.226 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.873 -22.731 3.381 1.00 0.00 H new ATOM 1425 N TRP A 94 -0.984 -14.864 4.419 1.00 0.00 N ATOM 1426 CA TRP A 94 -1.461 -13.500 4.054 1.00 0.00 C ATOM 1427 C TRP A 94 -1.998 -12.802 5.304 1.00 0.00 C ATOM 1428 O TRP A 94 -2.263 -13.435 6.307 1.00 0.00 O ATOM 1429 CB TRP A 94 -2.579 -13.722 3.034 1.00 0.00 C ATOM 1430 CG TRP A 94 -3.767 -14.316 3.719 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -4.078 -15.633 3.733 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -4.806 -13.643 4.487 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -5.241 -15.810 4.461 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -5.728 -14.613 4.946 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -5.036 -12.297 4.826 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -6.838 -14.261 5.714 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -6.153 -11.940 5.599 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -7.052 -12.920 6.042 1.00 0.00 C ATOM 0 H TRP A 94 -1.380 -15.242 5.280 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.670 -12.873 3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -2.851 -12.776 2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -2.235 -14.384 2.240 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -3.511 -16.418 3.254 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -5.684 -16.715 4.620 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -4.350 -11.534 4.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.527 -15.020 6.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.320 -10.904 5.854 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.909 -12.639 6.636 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.156 -11.510 5.264 1.00 0.00 N ATOM 1450 CA GLU A 95 -2.670 -10.798 6.468 1.00 0.00 C ATOM 1451 C GLU A 95 -3.215 -9.423 6.082 1.00 0.00 C ATOM 1452 O GLU A 95 -2.797 -8.828 5.108 1.00 0.00 O ATOM 1453 CB GLU A 95 -1.456 -10.656 7.387 1.00 0.00 C ATOM 1454 CG GLU A 95 -1.917 -10.249 8.787 1.00 0.00 C ATOM 1455 CD GLU A 95 -2.412 -11.485 9.541 1.00 0.00 C ATOM 1456 OE1 GLU A 95 -3.562 -11.847 9.356 1.00 0.00 O ATOM 1457 OE2 GLU A 95 -1.631 -12.049 10.291 1.00 0.00 O ATOM 0 H GLU A 95 -1.954 -10.919 4.458 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.488 -11.336 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.910 -11.598 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.770 -9.909 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.095 -9.783 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.714 -9.509 8.718 1.00 0.00 H new ATOM 1464 N TYR A 96 -4.143 -8.911 6.842 1.00 0.00 N ATOM 1465 CA TYR A 96 -4.708 -7.572 6.521 1.00 0.00 C ATOM 1466 C TYR A 96 -3.633 -6.503 6.712 1.00 0.00 C ATOM 1467 O TYR A 96 -2.498 -6.803 7.026 1.00 0.00 O ATOM 1468 CB TYR A 96 -5.851 -7.371 7.516 1.00 0.00 C ATOM 1469 CG TYR A 96 -7.141 -7.874 6.912 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -7.668 -7.255 5.772 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -7.809 -8.958 7.492 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -8.865 -7.721 5.213 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -9.005 -9.424 6.934 1.00 0.00 C ATOM 1474 CZ TYR A 96 -9.533 -8.806 5.794 1.00 0.00 C ATOM 1475 OH TYR A 96 -10.712 -9.265 5.243 1.00 0.00 O ATOM 0 H TYR A 96 -4.533 -9.361 7.670 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.057 -7.501 5.491 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.639 -7.905 8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.944 -6.315 7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.152 -6.419 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.401 -9.435 8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.273 -7.244 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.521 -10.260 7.383 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.044 -10.024 5.767 1.00 0.00 H new ATOM 1485 N CYS A 97 -3.971 -5.260 6.522 1.00 0.00 N ATOM 1486 CA CYS A 97 -2.953 -4.186 6.694 1.00 0.00 C ATOM 1487 C CYS A 97 -3.275 -3.325 7.913 1.00 0.00 C ATOM 1488 O CYS A 97 -4.417 -3.009 8.176 1.00 0.00 O ATOM 1489 CB CYS A 97 -3.037 -3.354 5.417 1.00 0.00 C ATOM 1490 SG CYS A 97 -1.521 -3.581 4.457 1.00 0.00 S ATOM 0 H CYS A 97 -4.903 -4.941 6.256 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.955 -4.594 6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -3.903 -3.656 4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.171 -2.301 5.663 1.00 0.00 H new ATOM 1495 N ASN A 98 -2.271 -2.943 8.657 1.00 0.00 N ATOM 1496 CA ASN A 98 -2.511 -2.093 9.862 1.00 0.00 C ATOM 1497 C ASN A 98 -3.324 -0.856 9.478 1.00 0.00 C ATOM 1498 O ASN A 98 -2.777 0.199 9.225 1.00 0.00 O ATOM 1499 CB ASN A 98 -1.121 -1.671 10.336 1.00 0.00 C ATOM 1500 CG ASN A 98 -0.531 -2.753 11.242 1.00 0.00 C ATOM 1501 OD1 ASN A 98 -1.238 -3.627 11.705 1.00 0.00 O ATOM 1502 ND2 ASN A 98 0.745 -2.733 11.516 1.00 0.00 N ATOM 0 H ASN A 98 -1.295 -3.182 8.483 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.067 -2.626 10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.469 -1.507 9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.182 -0.726 10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.149 -3.450 12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.339 -2.000 11.128 1.00 0.00 H new ATOM 1509 N LEU A 99 -4.620 -0.970 9.425 1.00 0.00 N ATOM 1510 CA LEU A 99 -5.443 0.212 9.048 1.00 0.00 C ATOM 1511 C LEU A 99 -6.742 0.257 9.854 1.00 0.00 C ATOM 1512 O LEU A 99 -7.409 -0.741 10.042 1.00 0.00 O ATOM 1513 CB LEU A 99 -5.744 0.021 7.563 1.00 0.00 C ATOM 1514 CG LEU A 99 -4.456 0.183 6.757 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -4.692 -0.278 5.318 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -4.038 1.655 6.758 1.00 0.00 C ATOM 0 H LEU A 99 -5.143 -1.823 9.625 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.923 1.149 9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.171 -0.967 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.485 0.750 7.235 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.668 -0.421 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.773 -0.162 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.991 -1.326 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.480 0.325 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.119 1.773 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.827 2.258 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.870 1.985 7.783 1.00 0.00 H new ATOM 1528 N THR A 100 -7.105 1.419 10.317 1.00 0.00 N ATOM 1529 CA THR A 100 -8.359 1.568 11.100 1.00 0.00 C ATOM 1530 C THR A 100 -9.264 2.598 10.424 1.00 0.00 C ATOM 1531 O THR A 100 -8.810 3.425 9.657 1.00 0.00 O ATOM 1532 CB THR A 100 -7.916 2.073 12.468 1.00 0.00 C ATOM 1533 OG1 THR A 100 -7.161 3.266 12.309 1.00 0.00 O ATOM 1534 CG2 THR A 100 -7.059 1.012 13.157 1.00 0.00 C ATOM 0 H THR A 100 -6.578 2.282 10.184 1.00 0.00 H new ATOM 0 HA THR A 100 -8.918 0.635 11.174 1.00 0.00 H new ATOM 0 HB THR A 100 -8.794 2.277 13.080 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.257 3.043 12.004 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.744 1.377 14.135 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.641 0.099 13.281 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.180 0.803 12.548 1.00 0.00 H new ATOM 1542 N GLN A 101 -10.535 2.563 10.699 1.00 0.00 N ATOM 1543 CA GLN A 101 -11.452 3.551 10.065 1.00 0.00 C ATOM 1544 C GLN A 101 -11.003 4.973 10.412 1.00 0.00 C ATOM 1545 O GLN A 101 -11.430 5.547 11.394 1.00 0.00 O ATOM 1546 CB GLN A 101 -12.830 3.259 10.657 1.00 0.00 C ATOM 1547 CG GLN A 101 -13.795 2.879 9.532 1.00 0.00 C ATOM 1548 CD GLN A 101 -15.210 2.754 10.097 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -15.655 3.601 10.844 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -15.941 1.724 9.770 1.00 0.00 N ATOM 0 H GLN A 101 -10.979 1.897 11.332 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.459 3.473 8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -12.762 2.448 11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.202 4.134 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.771 3.634 8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.488 1.937 9.078 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.567 1.012 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.886 1.631 10.142 1.00 0.00 H new ATOM 1559 N CYS A 102 -10.141 5.542 9.613 1.00 0.00 N ATOM 1560 CA CYS A 102 -9.660 6.923 9.897 1.00 0.00 C ATOM 1561 C CYS A 102 -10.843 7.829 10.245 1.00 0.00 C ATOM 1562 O CYS A 102 -11.919 7.683 9.701 1.00 0.00 O ATOM 1563 CB CYS A 102 -8.987 7.382 8.602 1.00 0.00 C ATOM 1564 SG CYS A 102 -7.481 8.307 8.999 1.00 0.00 S ATOM 0 H CYS A 102 -9.750 5.110 8.776 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.974 6.960 10.743 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.744 6.520 7.981 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -9.670 8.007 8.027 1.00 0.00 H new ATOM 1569 N PRO A 103 -10.602 8.738 11.149 1.00 0.00 N ATOM 1570 CA PRO A 103 -11.662 9.681 11.582 1.00 0.00 C ATOM 1571 C PRO A 103 -11.960 10.697 10.476 1.00 0.00 C ATOM 1572 O PRO A 103 -11.087 11.413 10.026 1.00 0.00 O ATOM 1573 CB PRO A 103 -11.053 10.366 12.803 1.00 0.00 C ATOM 1574 CG PRO A 103 -9.575 10.247 12.614 1.00 0.00 C ATOM 1575 CD PRO A 103 -9.333 8.975 11.845 1.00 0.00 C ATOM 0 HA PRO A 103 -12.609 9.190 11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -11.361 11.410 12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -11.373 9.884 13.727 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -9.185 11.107 12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -9.064 10.220 13.576 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.506 9.083 11.143 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -9.081 8.148 12.509 1.00 0.00 H new ATOM 1583 N VAL A 104 -13.187 10.766 10.037 1.00 0.00 N ATOM 1584 CA VAL A 104 -13.543 11.736 8.960 1.00 0.00 C ATOM 1585 C VAL A 104 -13.023 13.130 9.316 1.00 0.00 C ATOM 1586 O VAL A 104 -12.545 13.367 10.408 1.00 0.00 O ATOM 1587 CB VAL A 104 -15.074 11.727 8.903 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -15.642 11.722 10.323 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -15.574 12.972 8.165 1.00 0.00 C ATOM 0 H VAL A 104 -13.959 10.193 10.377 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.102 11.469 8.000 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.404 10.833 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.731 11.716 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.295 10.834 10.851 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.305 12.613 10.853 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.663 12.960 8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.239 13.866 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.176 12.978 7.150 1.00 0.00 H new ATOM 1599 N THR A 105 -13.112 14.052 8.400 1.00 0.00 N ATOM 1600 CA THR A 105 -12.624 15.432 8.681 1.00 0.00 C ATOM 1601 C THR A 105 -13.799 16.343 9.050 1.00 0.00 C ATOM 1602 O THR A 105 -13.880 17.474 8.613 1.00 0.00 O ATOM 1603 CB THR A 105 -11.977 15.896 7.376 1.00 0.00 C ATOM 1604 OG1 THR A 105 -11.233 17.083 7.613 1.00 0.00 O ATOM 1605 CG2 THR A 105 -13.065 16.171 6.337 1.00 0.00 C ATOM 0 H THR A 105 -13.502 13.911 7.468 1.00 0.00 H new ATOM 0 HA THR A 105 -11.924 15.461 9.516 1.00 0.00 H new ATOM 0 HB THR A 105 -11.310 15.119 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.789 17.726 8.100 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.604 16.502 5.406 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.634 15.259 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 105 -13.733 16.948 6.707 1.00 0.00 H new ATOM 1613 N GLU A 106 -14.711 15.859 9.849 1.00 0.00 N ATOM 1614 CA GLU A 106 -15.879 16.700 10.240 1.00 0.00 C ATOM 1615 C GLU A 106 -16.423 17.448 9.021 1.00 0.00 C ATOM 1616 O GLU A 106 -16.114 17.120 7.892 1.00 0.00 O ATOM 1617 CB GLU A 106 -15.330 17.685 11.273 1.00 0.00 C ATOM 1618 CG GLU A 106 -15.225 16.994 12.633 1.00 0.00 C ATOM 1619 CD GLU A 106 -13.911 17.393 13.307 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -12.919 16.724 13.069 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -13.920 18.362 14.048 1.00 0.00 O ATOM 0 H GLU A 106 -14.698 14.920 10.247 1.00 0.00 H new ATOM 0 HA GLU A 106 -16.700 16.106 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -14.350 18.047 10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -15.983 18.555 11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -16.069 17.276 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -15.268 15.912 12.508 1.00 0.00 H new ATOM 1628 N SER A 107 -17.228 18.451 9.238 1.00 0.00 N ATOM 1629 CA SER A 107 -17.787 19.218 8.088 1.00 0.00 C ATOM 1630 C SER A 107 -16.703 20.104 7.469 1.00 0.00 C ATOM 1631 O SER A 107 -15.534 19.975 7.773 1.00 0.00 O ATOM 1632 CB SER A 107 -18.903 20.073 8.688 1.00 0.00 C ATOM 1633 OG SER A 107 -19.197 21.147 7.804 1.00 0.00 O ATOM 0 H SER A 107 -17.523 18.773 10.160 1.00 0.00 H new ATOM 0 HA SER A 107 -18.155 18.567 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 107 -19.794 19.467 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 107 -18.598 20.460 9.660 1.00 0.00 H new ATOM 0 HG SER A 107 -19.914 21.697 8.184 1.00 0.00 H new ATOM 1639 N SER A 108 -17.082 21.004 6.604 1.00 0.00 N ATOM 1640 CA SER A 108 -16.071 21.898 5.968 1.00 0.00 C ATOM 1641 C SER A 108 -16.769 22.965 5.120 1.00 0.00 C ATOM 1642 O SER A 108 -17.806 22.726 4.534 1.00 0.00 O ATOM 1643 CB SER A 108 -15.228 20.978 5.087 1.00 0.00 C ATOM 1644 OG SER A 108 -13.977 20.740 5.720 1.00 0.00 O ATOM 0 H SER A 108 -18.046 21.160 6.310 1.00 0.00 H new ATOM 0 HA SER A 108 -15.464 22.425 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.750 20.036 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.073 21.433 4.109 1.00 0.00 H new ATOM 0 HG SER A 108 -14.128 20.418 6.633 1.00 0.00 H new ATOM 1650 N VAL A 109 -16.208 24.142 5.051 1.00 0.00 N ATOM 1651 CA VAL A 109 -16.841 25.222 4.241 1.00 0.00 C ATOM 1652 C VAL A 109 -16.241 25.249 2.834 1.00 0.00 C ATOM 1653 O VAL A 109 -16.929 25.483 1.860 1.00 0.00 O ATOM 1654 CB VAL A 109 -16.517 26.517 4.985 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -17.226 27.689 4.304 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -16.998 26.405 6.434 1.00 0.00 C ATOM 0 H VAL A 109 -15.340 24.402 5.520 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.915 25.075 4.126 1.00 0.00 H new ATOM 0 HB VAL A 109 -15.440 26.685 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.995 28.612 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -16.886 27.769 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.303 27.522 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -16.768 27.328 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -18.075 26.237 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.494 25.570 6.921 1.00 0.00 H new ATOM 1666 N LEU A 110 -14.963 25.012 2.719 1.00 0.00 N ATOM 1667 CA LEU A 110 -14.322 25.025 1.373 1.00 0.00 C ATOM 1668 C LEU A 110 -13.761 23.640 1.040 1.00 0.00 C ATOM 1669 O LEU A 110 -12.565 23.454 0.937 1.00 0.00 O ATOM 1670 CB LEU A 110 -13.193 26.050 1.483 1.00 0.00 C ATOM 1671 CG LEU A 110 -13.136 26.884 0.202 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -13.083 25.954 -1.011 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -14.384 27.766 0.113 1.00 0.00 C ATOM 0 H LEU A 110 -14.336 24.810 3.497 1.00 0.00 H new ATOM 0 HA LEU A 110 -15.027 25.279 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -13.358 26.697 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -12.241 25.543 1.643 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.245 27.512 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -13.042 26.548 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -12.195 25.324 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -13.973 25.325 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -14.345 28.361 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -15.274 27.137 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -14.423 28.429 0.977 1.00 0.00 H new ATOM 1685 N ALA A 111 -14.614 22.668 0.870 1.00 0.00 N ATOM 1686 CA ALA A 111 -14.127 21.298 0.542 1.00 0.00 C ATOM 1687 C ALA A 111 -14.338 21.006 -0.945 1.00 0.00 C ATOM 1688 O ALA A 111 -15.392 21.260 -1.494 1.00 0.00 O ATOM 1689 CB ALA A 111 -14.976 20.360 1.401 1.00 0.00 C ATOM 0 H ALA A 111 -15.627 22.763 0.944 1.00 0.00 H new ATOM 0 HA ALA A 111 -13.062 21.178 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.678 19.328 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -14.828 20.598 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -16.028 20.485 1.145 1.00 0.00 H new ATOM 1695 N THR A 112 -13.343 20.477 -1.603 1.00 0.00 N ATOM 1696 CA THR A 112 -13.487 20.173 -3.055 1.00 0.00 C ATOM 1697 C THR A 112 -12.722 18.895 -3.406 1.00 0.00 C ATOM 1698 O THR A 112 -11.623 18.670 -2.940 1.00 0.00 O ATOM 1699 CB THR A 112 -12.878 21.380 -3.771 1.00 0.00 C ATOM 1700 OG1 THR A 112 -12.938 21.174 -5.177 1.00 0.00 O ATOM 1701 CG2 THR A 112 -11.421 21.551 -3.335 1.00 0.00 C ATOM 0 H THR A 112 -12.437 20.242 -1.198 1.00 0.00 H new ATOM 0 HA THR A 112 -14.525 20.008 -3.344 1.00 0.00 H new ATOM 0 HB THR A 112 -13.438 22.279 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.550 21.947 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.987 22.411 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.380 21.710 -2.257 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.857 20.654 -3.592 1.00 0.00 H new ATOM 1709 N SER A 113 -13.295 18.056 -4.224 1.00 0.00 N ATOM 1710 CA SER A 113 -12.600 16.793 -4.604 1.00 0.00 C ATOM 1711 C SER A 113 -11.271 17.108 -5.297 1.00 0.00 C ATOM 1712 O SER A 113 -11.065 18.196 -5.797 1.00 0.00 O ATOM 1713 CB SER A 113 -13.555 16.093 -5.568 1.00 0.00 C ATOM 1714 OG SER A 113 -14.525 15.366 -4.824 1.00 0.00 O ATOM 0 H SER A 113 -14.214 18.190 -4.646 1.00 0.00 H new ATOM 0 HA SER A 113 -12.366 16.173 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.046 16.826 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.001 15.419 -6.221 1.00 0.00 H new ATOM 0 HG SER A 113 -15.141 14.917 -5.440 1.00 0.00 H new ATOM 1720 N THR A 114 -10.369 16.166 -5.328 1.00 0.00 N ATOM 1721 CA THR A 114 -9.054 16.415 -5.988 1.00 0.00 C ATOM 1722 C THR A 114 -9.074 15.897 -7.428 1.00 0.00 C ATOM 1723 O THR A 114 -9.658 14.872 -7.721 1.00 0.00 O ATOM 1724 CB THR A 114 -8.039 15.635 -5.151 1.00 0.00 C ATOM 1725 OG1 THR A 114 -8.460 15.617 -3.795 1.00 0.00 O ATOM 1726 CG2 THR A 114 -6.669 16.306 -5.254 1.00 0.00 C ATOM 0 H THR A 114 -10.484 15.236 -4.926 1.00 0.00 H new ATOM 0 HA THR A 114 -8.813 17.477 -6.039 1.00 0.00 H new ATOM 0 HB THR A 114 -7.969 14.613 -5.523 1.00 0.00 H new ATOM 0 HG1 THR A 114 -7.811 15.116 -3.258 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.946 15.750 -4.657 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.347 16.318 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.736 17.329 -4.883 1.00 0.00 H new ATOM 1734 N ALA A 115 -8.438 16.596 -8.330 1.00 0.00 N ATOM 1735 CA ALA A 115 -8.420 16.142 -9.751 1.00 0.00 C ATOM 1736 C ALA A 115 -7.035 15.600 -10.118 1.00 0.00 C ATOM 1737 O ALA A 115 -6.106 15.663 -9.337 1.00 0.00 O ATOM 1738 CB ALA A 115 -8.740 17.393 -10.570 1.00 0.00 C ATOM 0 H ALA A 115 -7.931 17.461 -8.144 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.133 15.339 -9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.746 17.142 -11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.719 17.776 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.983 18.155 -10.382 1.00 0.00 H new ATOM 1744 N VAL A 116 -6.891 15.069 -11.301 1.00 0.00 N ATOM 1745 CA VAL A 116 -5.567 14.523 -11.720 1.00 0.00 C ATOM 1746 C VAL A 116 -4.657 15.655 -12.206 1.00 0.00 C ATOM 1747 O VAL A 116 -4.923 16.292 -13.206 1.00 0.00 O ATOM 1748 CB VAL A 116 -5.881 13.558 -12.864 1.00 0.00 C ATOM 1749 CG1 VAL A 116 -4.577 13.104 -13.522 1.00 0.00 C ATOM 1750 CG2 VAL A 116 -6.623 12.339 -12.313 1.00 0.00 C ATOM 0 H VAL A 116 -7.633 14.989 -11.997 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.046 14.028 -10.900 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.505 14.062 -13.602 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -4.801 12.416 -14.337 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -4.046 13.971 -13.914 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.953 12.600 -12.784 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.847 11.651 -13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.999 11.836 -11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.553 12.661 -11.843 1.00 0.00 H new ATOM 1760 N SER A 117 -3.585 15.911 -11.507 1.00 0.00 N ATOM 1761 CA SER A 117 -2.661 17.002 -11.932 1.00 0.00 C ATOM 1762 C SER A 117 -1.303 16.420 -12.335 1.00 0.00 C ATOM 1763 O SER A 117 -0.875 15.404 -11.823 1.00 0.00 O ATOM 1764 CB SER A 117 -2.516 17.901 -10.706 1.00 0.00 C ATOM 1765 OG SER A 117 -1.252 18.551 -10.747 1.00 0.00 O ATOM 0 H SER A 117 -3.309 15.413 -10.661 1.00 0.00 H new ATOM 0 HA SER A 117 -3.040 17.549 -12.795 1.00 0.00 H new ATOM 0 HB2 SER A 117 -3.317 18.640 -10.686 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.604 17.310 -9.795 1.00 0.00 H new ATOM 0 HG SER A 117 -1.156 19.130 -9.962 1.00 0.00 H new ATOM 1771 N GLU A 118 -0.621 17.056 -13.249 1.00 0.00 N ATOM 1772 CA GLU A 118 0.708 16.539 -13.684 1.00 0.00 C ATOM 1773 C GLU A 118 1.395 17.553 -14.604 1.00 0.00 C ATOM 1774 O GLU A 118 2.600 17.706 -14.586 1.00 0.00 O ATOM 1775 CB GLU A 118 0.403 15.248 -14.444 1.00 0.00 C ATOM 1776 CG GLU A 118 1.712 14.546 -14.806 1.00 0.00 C ATOM 1777 CD GLU A 118 1.571 13.874 -16.173 1.00 0.00 C ATOM 1778 OE1 GLU A 118 0.486 13.403 -16.471 1.00 0.00 O ATOM 1779 OE2 GLU A 118 2.551 13.841 -16.900 1.00 0.00 O ATOM 0 H GLU A 118 -0.927 17.911 -13.713 1.00 0.00 H new ATOM 0 HA GLU A 118 1.379 16.367 -12.842 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -0.217 14.592 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.164 15.471 -15.348 1.00 0.00 H new ATOM 0 HG2 GLU A 118 2.530 15.266 -14.826 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.960 13.803 -14.048 1.00 0.00 H new ATOM 1786 N GLN A 119 0.636 18.247 -15.407 1.00 0.00 N ATOM 1787 CA GLN A 119 1.244 19.250 -16.328 1.00 0.00 C ATOM 1788 C GLN A 119 0.290 20.430 -16.528 1.00 0.00 C ATOM 1789 O GLN A 119 0.335 21.030 -17.589 1.00 0.00 O ATOM 1790 CB GLN A 119 1.456 18.502 -17.645 1.00 0.00 C ATOM 1791 CG GLN A 119 2.952 18.276 -17.868 1.00 0.00 C ATOM 1792 CD GLN A 119 3.664 19.627 -17.966 1.00 0.00 C ATOM 1793 OE1 GLN A 119 4.014 20.216 -16.962 1.00 0.00 O ATOM 1794 NE2 GLN A 119 3.893 20.146 -19.140 1.00 0.00 N ATOM 1795 OXT GLN A 119 -0.470 20.712 -15.616 1.00 0.00 O ATOM 0 H GLN A 119 -0.379 18.163 -15.466 1.00 0.00 H new ATOM 0 HA GLN A 119 2.176 19.658 -15.937 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.933 17.546 -17.621 1.00 0.00 H new ATOM 0 HB3 GLN A 119 1.037 19.074 -18.472 1.00 0.00 H new ATOM 0 HG2 GLN A 119 3.369 17.692 -17.047 1.00 0.00 H new ATOM 0 HG3 GLN A 119 3.112 17.702 -18.781 1.00 0.00 H new ATOM 0 HE21 GLN A 119 3.599 19.651 -19.982 1.00 0.00 H new ATOM 0 HE22 GLN A 119 4.366 21.046 -19.216 1.00 0.00 H new TER 1804 GLN A 119