USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 997 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 84 GLN :FLIP amide:sc= 0.717 F(o=-7.3!,f=-1.4) USER MOD Set 1.2: A 86 TYR OH : rot 29:sc= -2.08! USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -7.09! C(o=-17!,f=-14!) USER MOD Set 2.2: A 74 HIS : no HE2:sc= -7.21! C(o=-14!,f=-18!) USER MOD Set 3.1: A 36 GLN : amide:sc= -7.93! C(o=-8.8!,f=-13!) USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= -0.893! USER MOD Single : A 1 SER N :NH3+ 161:sc= -0.337 (180deg=-0.699) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0.452 K(o=0.45,f=-3.9!) USER MOD Single : A 6 LYS NZ :NH3+ -134:sc= -0.0107 (180deg=-0.264) USER MOD Single : A 10 ASN :FLIP amide:sc= -1.92! C(o=-2.6!,f=-1.9!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= -0.59 (180deg=-1.18) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.436 F(o=-1.4!,f=-0.44) USER MOD Single : A 24 SER OG : rot 180:sc= 0.105 USER MOD Single : A 30 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -2.4 F(o=-4.5!,f=-2.4) USER MOD Single : A 45 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.6!) USER MOD Single : A 46 ASN : amide:sc= -0.0932 K(o=-0.093,f=-1.9) USER MOD Single : A 47 THR OG1 : rot 180:sc= -3! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0107 (180deg=-0.439) USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -0.17 (180deg=-1.5!) USER MOD Single : A 57 SER OG : rot -15:sc= 0.277 USER MOD Single : A 75 TYR OH : rot 3:sc= -3.18! USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0663 F(o=-1.2,f=-0.066) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 92:sc= -1.92! USER MOD Single : A 93 ASN :FLIP amide:sc= -0.939 F(o=-2.4!,f=-0.94) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -148:sc= 0.822 (180deg=-0.637!) USER MOD Single : A 101 SER OG : rot -130:sc= -2.17! USER MOD Single : A 103 ASN :FLIP amide:sc= -0.623 F(o=-2.7!,f=-0.62) USER MOD Single : A 107 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -171:sc= 0 (180deg=-0.0697) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 124 HIS : no HE2:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 126 LYS NZ :NH3+ -147:sc= -0.387 (180deg=-2.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.419 14.244 6.255 1.00 0.00 N ATOM 2 CA SER A 1 -1.522 13.854 7.691 1.00 0.00 C ATOM 3 C SER A 1 -1.634 12.331 7.818 1.00 0.00 C ATOM 4 O SER A 1 -1.700 11.621 6.835 1.00 0.00 O ATOM 5 CB SER A 1 -2.795 14.531 8.194 1.00 0.00 C ATOM 6 OG SER A 1 -2.467 15.801 8.742 1.00 0.00 O ATOM 0 H1 SER A 1 -1.664 15.249 6.150 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.446 14.088 5.922 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.075 13.667 5.691 1.00 0.00 H new ATOM 0 HA SER A 1 -0.647 14.156 8.266 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.506 14.648 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.277 13.910 8.949 1.00 0.00 H new ATOM 0 HG SER A 1 -3.282 16.239 9.064 1.00 0.00 H new ATOM 14 N GLN A 2 -1.653 11.826 9.021 1.00 0.00 N ATOM 15 CA GLN A 2 -1.755 10.351 9.207 1.00 0.00 C ATOM 16 C GLN A 2 -3.212 9.886 9.120 1.00 0.00 C ATOM 17 O GLN A 2 -4.123 10.688 9.150 1.00 0.00 O ATOM 18 CB GLN A 2 -1.211 10.099 10.578 1.00 0.00 C ATOM 19 CG GLN A 2 -0.021 9.233 10.466 1.00 0.00 C ATOM 20 CD GLN A 2 -0.393 7.774 10.759 1.00 0.00 C ATOM 21 OE1 GLN A 2 -1.164 7.179 10.032 1.00 0.00 O ATOM 22 NE2 GLN A 2 0.122 7.164 11.798 1.00 0.00 N ATOM 0 H GLN A 2 -1.602 12.370 9.882 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.210 9.807 8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.948 11.041 11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.967 9.623 11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.402 9.313 9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.747 9.567 11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.770 7.659 12.411 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.125 6.194 11.994 1.00 0.00 H new ATOM 31 N VAL A 3 -3.451 8.601 9.016 1.00 0.00 N ATOM 32 CA VAL A 3 -4.837 8.116 8.935 1.00 0.00 C ATOM 33 C VAL A 3 -4.914 6.768 9.656 1.00 0.00 C ATOM 34 O VAL A 3 -3.916 6.264 10.130 1.00 0.00 O ATOM 35 CB VAL A 3 -5.092 7.921 7.434 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.395 9.019 6.619 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.620 6.527 6.969 1.00 0.00 C ATOM 0 H VAL A 3 -2.734 7.876 8.985 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.562 8.793 9.386 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.167 7.991 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.588 8.862 5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.780 9.994 6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.321 8.981 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.812 6.415 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.552 6.423 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.162 5.757 7.518 1.00 0.00 H new ATOM 47 N ASP A 4 -6.061 6.152 9.717 1.00 0.00 N ATOM 48 CA ASP A 4 -6.107 4.836 10.372 1.00 0.00 C ATOM 49 C ASP A 4 -5.607 3.816 9.423 1.00 0.00 C ATOM 50 O ASP A 4 -5.773 3.903 8.222 1.00 0.00 O ATOM 51 CB ASP A 4 -7.541 4.603 10.899 1.00 0.00 C ATOM 52 CG ASP A 4 -8.029 3.194 10.537 1.00 0.00 C ATOM 53 OD1 ASP A 4 -7.537 2.248 11.131 1.00 0.00 O ATOM 54 OD2 ASP A 4 -8.884 3.087 9.674 1.00 0.00 O ATOM 0 H ASP A 4 -6.946 6.501 9.348 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.454 4.772 11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.562 4.734 11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.215 5.347 10.475 1.00 0.00 H new ATOM 59 N VAL A 5 -4.808 2.950 9.956 1.00 0.00 N ATOM 60 CA VAL A 5 -4.086 2.046 9.089 1.00 0.00 C ATOM 61 C VAL A 5 -3.415 0.950 9.935 1.00 0.00 C ATOM 62 O VAL A 5 -3.659 0.862 11.121 1.00 0.00 O ATOM 63 CB VAL A 5 -3.138 3.085 8.540 1.00 0.00 C ATOM 64 CG1 VAL A 5 -1.724 2.903 9.104 1.00 0.00 C ATOM 65 CG2 VAL A 5 -3.122 3.018 7.013 1.00 0.00 C ATOM 0 H VAL A 5 -4.634 2.841 10.955 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.626 1.471 8.337 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.491 4.069 8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.066 3.666 8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.750 2.997 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.349 1.916 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.436 3.770 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.794 2.028 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.125 3.208 6.630 1.00 0.00 H new ATOM 75 N LYS A 6 -2.575 0.129 9.364 1.00 0.00 N ATOM 76 CA LYS A 6 -1.919 -0.932 10.194 1.00 0.00 C ATOM 77 C LYS A 6 -0.759 -1.577 9.510 1.00 0.00 C ATOM 78 O LYS A 6 -0.703 -1.774 8.323 1.00 0.00 O ATOM 79 CB LYS A 6 -2.966 -1.977 10.464 1.00 0.00 C ATOM 80 CG LYS A 6 -3.785 -1.601 11.701 1.00 0.00 C ATOM 81 CD LYS A 6 -4.085 -2.860 12.517 1.00 0.00 C ATOM 82 CE LYS A 6 -2.852 -3.248 13.336 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.874 -2.340 14.517 1.00 0.00 N ATOM 0 H LYS A 6 -2.316 0.142 8.378 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.529 -0.475 11.103 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.623 -2.075 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.491 -2.947 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.235 -0.883 12.310 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.715 -1.119 11.401 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.933 -2.683 13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.365 -3.678 11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.893 -4.294 13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.937 -3.121 12.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.924 -1.946 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.547 -1.565 14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.167 -2.874 15.360 1.00 0.00 H new ATOM 97 N ASP A 7 0.150 -1.923 10.318 1.00 0.00 N ATOM 98 CA ASP A 7 1.375 -2.612 9.868 1.00 0.00 C ATOM 99 C ASP A 7 1.098 -4.117 9.778 1.00 0.00 C ATOM 100 O ASP A 7 0.299 -4.649 10.523 1.00 0.00 O ATOM 101 CB ASP A 7 2.324 -2.287 10.987 1.00 0.00 C ATOM 102 CG ASP A 7 3.602 -3.121 10.865 1.00 0.00 C ATOM 103 OD1 ASP A 7 3.567 -4.282 11.239 1.00 0.00 O ATOM 104 OD2 ASP A 7 4.593 -2.584 10.399 1.00 0.00 O ATOM 0 H ASP A 7 0.108 -1.756 11.323 1.00 0.00 H new ATOM 0 HA ASP A 7 1.750 -2.317 8.888 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.572 -1.226 10.965 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.845 -2.483 11.946 1.00 0.00 H new ATOM 109 N CYS A 8 1.738 -4.807 8.882 1.00 0.00 N ATOM 110 CA CYS A 8 1.496 -6.272 8.762 1.00 0.00 C ATOM 111 C CYS A 8 2.825 -6.985 8.573 1.00 0.00 C ATOM 112 O CYS A 8 2.882 -8.110 8.117 1.00 0.00 O ATOM 113 CB CYS A 8 0.604 -6.447 7.534 1.00 0.00 C ATOM 114 SG CYS A 8 1.257 -5.527 6.096 1.00 0.00 S ATOM 0 H CYS A 8 2.419 -4.423 8.226 1.00 0.00 H new ATOM 0 HA CYS A 8 1.022 -6.691 9.650 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.528 -7.506 7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.404 -6.100 7.762 1.00 0.00 H new ATOM 119 N ALA A 9 3.910 -6.310 8.864 1.00 0.00 N ATOM 120 CA ALA A 9 5.242 -6.946 8.627 1.00 0.00 C ATOM 121 C ALA A 9 6.064 -6.920 9.895 1.00 0.00 C ATOM 122 O ALA A 9 6.064 -7.861 10.664 1.00 0.00 O ATOM 123 CB ALA A 9 5.885 -6.114 7.498 1.00 0.00 C ATOM 0 H ALA A 9 3.933 -5.365 9.248 1.00 0.00 H new ATOM 0 HA ALA A 9 5.168 -7.996 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.870 -6.518 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.255 -6.157 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.985 -5.078 7.822 1.00 0.00 H new ATOM 129 N ASN A 10 6.721 -5.865 10.145 1.00 0.00 N ATOM 130 CA ASN A 10 7.503 -5.797 11.412 1.00 0.00 C ATOM 131 C ASN A 10 7.743 -4.360 11.851 1.00 0.00 C ATOM 132 O ASN A 10 8.855 -3.879 11.903 1.00 0.00 O ATOM 133 CB ASN A 10 8.784 -6.588 11.203 1.00 0.00 C ATOM 134 CG ASN A 10 9.874 -6.167 12.208 1.00 0.00 C ATOM 135 OD1 ASN A 10 10.795 -5.274 11.886 1.00 0.00 O flip ATOM 136 ND2 ASN A 10 9.896 -6.663 13.317 1.00 0.00 N flip ATOM 0 H ASN A 10 6.767 -5.039 9.548 1.00 0.00 H new ATOM 0 HA ASN A 10 6.943 -6.242 12.234 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.578 -7.653 11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.146 -6.436 10.186 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.193 -7.353 13.581 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.618 -6.389 13.984 1.00 0.00 H new ATOM 143 N HIS A 11 6.676 -3.680 12.182 1.00 0.00 N ATOM 144 CA HIS A 11 6.772 -2.264 12.640 1.00 0.00 C ATOM 145 C HIS A 11 7.906 -1.545 11.930 1.00 0.00 C ATOM 146 O HIS A 11 8.533 -0.654 12.466 1.00 0.00 O ATOM 147 CB HIS A 11 7.030 -2.335 14.132 1.00 0.00 C ATOM 148 CG HIS A 11 6.179 -3.408 14.757 1.00 0.00 C ATOM 149 ND1 HIS A 11 6.723 -4.568 15.286 1.00 0.00 N ATOM 150 CD2 HIS A 11 4.823 -3.509 14.947 1.00 0.00 C ATOM 151 CE1 HIS A 11 5.708 -5.310 15.765 1.00 0.00 C ATOM 152 NE2 HIS A 11 4.528 -4.711 15.584 1.00 0.00 N ATOM 0 H HIS A 11 5.727 -4.054 12.153 1.00 0.00 H new ATOM 0 HA HIS A 11 5.863 -1.706 12.416 1.00 0.00 H new ATOM 0 HB2 HIS A 11 8.084 -2.543 14.317 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.810 -1.372 14.593 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.096 -2.769 14.648 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.832 -6.273 16.238 1.00 0.00 H new ATOM 0 HE2 HIS A 11 3.608 -5.059 15.854 1.00 0.00 H new ATOM 160 N GLU A 12 8.166 -1.929 10.721 1.00 0.00 N ATOM 161 CA GLU A 12 9.256 -1.275 9.960 1.00 0.00 C ATOM 162 C GLU A 12 8.729 -0.089 9.161 1.00 0.00 C ATOM 163 O GLU A 12 9.319 0.333 8.187 1.00 0.00 O ATOM 164 CB GLU A 12 9.828 -2.314 9.075 1.00 0.00 C ATOM 165 CG GLU A 12 11.343 -2.292 9.222 1.00 0.00 C ATOM 166 CD GLU A 12 11.960 -1.560 8.032 1.00 0.00 C ATOM 167 OE1 GLU A 12 11.251 -1.343 7.064 1.00 0.00 O ATOM 168 OE2 GLU A 12 13.128 -1.222 8.111 1.00 0.00 O ATOM 0 H GLU A 12 7.670 -2.669 10.224 1.00 0.00 H new ATOM 0 HA GLU A 12 10.019 -0.874 10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.436 -3.296 9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.545 -2.127 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.622 -1.796 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.729 -3.310 9.276 1.00 0.00 H new ATOM 175 N ILE A 13 7.601 0.437 9.558 1.00 0.00 N ATOM 176 CA ILE A 13 6.999 1.576 8.826 1.00 0.00 C ATOM 177 C ILE A 13 6.862 2.791 9.741 1.00 0.00 C ATOM 178 O ILE A 13 7.364 2.829 10.846 1.00 0.00 O ATOM 179 CB ILE A 13 5.649 0.980 8.384 1.00 0.00 C ATOM 180 CG1 ILE A 13 5.636 0.826 6.861 1.00 0.00 C ATOM 181 CG2 ILE A 13 4.443 1.844 8.820 1.00 0.00 C ATOM 182 CD1 ILE A 13 4.228 0.447 6.397 1.00 0.00 C ATOM 0 H ILE A 13 7.069 0.118 10.368 1.00 0.00 H new ATOM 0 HA ILE A 13 7.583 1.951 7.985 1.00 0.00 H new ATOM 0 HB ILE A 13 5.548 0.011 8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.948 1.757 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.349 0.060 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.519 1.376 8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.430 1.929 9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.529 2.837 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.219 0.338 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.934 -0.495 6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.526 1.229 6.688 1.00 0.00 H new ATOM 194 N LYS A 14 6.175 3.775 9.268 1.00 0.00 N ATOM 195 CA LYS A 14 5.963 5.013 10.061 1.00 0.00 C ATOM 196 C LYS A 14 4.787 5.810 9.490 1.00 0.00 C ATOM 197 O LYS A 14 3.925 6.227 10.238 1.00 0.00 O ATOM 198 CB LYS A 14 7.270 5.808 10.025 1.00 0.00 C ATOM 199 CG LYS A 14 7.719 6.058 8.586 1.00 0.00 C ATOM 200 CD LYS A 14 8.965 6.953 8.583 1.00 0.00 C ATOM 201 CE LYS A 14 8.778 8.114 9.565 1.00 0.00 C ATOM 202 NZ LYS A 14 7.521 8.789 9.134 1.00 0.00 N ATOM 0 H LYS A 14 5.739 3.780 8.346 1.00 0.00 H new ATOM 0 HA LYS A 14 5.709 4.783 11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.135 6.760 10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.046 5.263 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.938 5.111 8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.917 6.533 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.843 6.369 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.143 7.340 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.700 7.754 10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.625 8.799 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.580 9.804 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.392 8.661 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.713 8.373 9.639 1.00 0.00 H new ATOM 216 N LYS A 15 4.685 6.031 8.183 1.00 0.00 N ATOM 217 CA LYS A 15 3.475 6.798 7.737 1.00 0.00 C ATOM 218 C LYS A 15 2.915 6.312 6.425 1.00 0.00 C ATOM 219 O LYS A 15 3.611 6.064 5.477 1.00 0.00 O ATOM 220 CB LYS A 15 3.865 8.272 7.676 1.00 0.00 C ATOM 221 CG LYS A 15 2.655 9.063 7.216 1.00 0.00 C ATOM 222 CD LYS A 15 2.688 10.438 7.874 1.00 0.00 C ATOM 223 CE LYS A 15 1.939 11.444 6.998 1.00 0.00 C ATOM 224 NZ LYS A 15 2.461 12.778 7.408 1.00 0.00 N ATOM 0 H LYS A 15 5.340 5.735 7.459 1.00 0.00 H new ATOM 0 HA LYS A 15 2.668 6.643 8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.196 8.619 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.698 8.417 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.660 9.164 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.737 8.539 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.231 10.390 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.720 10.760 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.121 11.258 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.862 11.377 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.993 13.520 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.268 12.931 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.487 12.815 7.243 1.00 0.00 H new ATOM 238 N VAL A 16 1.636 6.176 6.379 1.00 0.00 N ATOM 239 CA VAL A 16 0.990 5.705 5.113 1.00 0.00 C ATOM 240 C VAL A 16 -0.202 6.573 4.763 1.00 0.00 C ATOM 241 O VAL A 16 -1.289 6.450 5.292 1.00 0.00 O ATOM 242 CB VAL A 16 0.565 4.248 5.346 1.00 0.00 C ATOM 243 CG1 VAL A 16 1.745 3.326 5.054 1.00 0.00 C ATOM 244 CG2 VAL A 16 0.126 4.070 6.798 1.00 0.00 C ATOM 0 H VAL A 16 0.998 6.366 7.152 1.00 0.00 H new ATOM 0 HA VAL A 16 1.682 5.772 4.274 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.265 4.000 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.447 2.290 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.058 3.453 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.574 3.575 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.176 3.036 6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.955 4.316 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.715 4.731 7.007 1.00 0.00 H new ATOM 254 N LEU A 17 0.035 7.440 3.847 1.00 0.00 N ATOM 255 CA LEU A 17 -1.027 8.375 3.359 1.00 0.00 C ATOM 256 C LEU A 17 -1.719 7.845 2.116 1.00 0.00 C ATOM 257 O LEU A 17 -1.106 7.476 1.131 1.00 0.00 O ATOM 258 CB LEU A 17 -0.341 9.690 3.087 1.00 0.00 C ATOM 259 CG LEU A 17 -0.919 10.766 3.984 1.00 0.00 C ATOM 260 CD1 LEU A 17 -0.410 12.137 3.541 1.00 0.00 C ATOM 261 CD2 LEU A 17 -2.448 10.731 3.926 1.00 0.00 C ATOM 0 H LEU A 17 0.941 7.556 3.393 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.813 8.488 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.731 9.595 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.469 9.968 2.041 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.601 10.583 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.828 12.907 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.678 12.160 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.716 12.323 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.855 11.508 4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.777 10.904 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.803 9.756 4.262 1.00 0.00 H new ATOM 273 N VAL A 18 -3.014 7.834 2.183 1.00 0.00 N ATOM 274 CA VAL A 18 -3.849 7.359 1.031 1.00 0.00 C ATOM 275 C VAL A 18 -5.104 8.236 0.925 1.00 0.00 C ATOM 276 O VAL A 18 -5.620 8.694 1.926 1.00 0.00 O ATOM 277 CB VAL A 18 -4.229 5.910 1.348 1.00 0.00 C ATOM 278 CG1 VAL A 18 -5.241 5.400 0.316 1.00 0.00 C ATOM 279 CG2 VAL A 18 -2.984 5.020 1.303 1.00 0.00 C ATOM 0 H VAL A 18 -3.548 8.138 2.997 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.316 7.420 0.082 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.668 5.875 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.508 4.369 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.136 6.022 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.800 5.447 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.264 3.991 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.541 5.065 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.260 5.370 2.039 1.00 0.00 H new ATOM 289 N PRO A 19 -5.545 8.461 -0.287 1.00 0.00 N ATOM 290 CA PRO A 19 -6.738 9.318 -0.515 1.00 0.00 C ATOM 291 C PRO A 19 -8.008 8.626 0.002 1.00 0.00 C ATOM 292 O PRO A 19 -8.503 7.694 -0.599 1.00 0.00 O ATOM 293 CB PRO A 19 -6.776 9.479 -2.037 1.00 0.00 C ATOM 294 CG PRO A 19 -6.053 8.305 -2.568 1.00 0.00 C ATOM 295 CD PRO A 19 -4.992 7.945 -1.544 1.00 0.00 C ATOM 0 HA PRO A 19 -6.687 10.273 0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.802 9.509 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.299 10.409 -2.347 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.735 7.470 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.598 8.534 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.826 6.869 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.033 8.406 -1.780 1.00 0.00 H new ATOM 303 N GLY A 20 -8.541 9.072 1.115 1.00 0.00 N ATOM 304 CA GLY A 20 -9.771 8.431 1.658 1.00 0.00 C ATOM 305 C GLY A 20 -9.910 8.773 3.140 1.00 0.00 C ATOM 306 O GLY A 20 -10.502 9.771 3.504 1.00 0.00 O ATOM 0 H GLY A 20 -8.176 9.849 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.647 8.778 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.719 7.350 1.526 1.00 0.00 H new ATOM 310 N CYS A 21 -9.372 7.954 3.999 1.00 0.00 N ATOM 311 CA CYS A 21 -9.486 8.249 5.466 1.00 0.00 C ATOM 312 C CYS A 21 -8.294 9.087 5.947 1.00 0.00 C ATOM 313 O CYS A 21 -7.247 9.085 5.331 1.00 0.00 O ATOM 314 CB CYS A 21 -9.497 6.914 6.187 1.00 0.00 C ATOM 315 SG CYS A 21 -11.132 6.136 6.039 1.00 0.00 S ATOM 0 H CYS A 21 -8.864 7.103 3.760 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.393 8.818 5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.735 6.259 5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.248 7.058 7.238 1.00 0.00 H new ATOM 320 N HIS A 22 -8.417 9.780 7.061 1.00 0.00 N ATOM 321 CA HIS A 22 -7.249 10.563 7.560 1.00 0.00 C ATOM 322 C HIS A 22 -7.124 10.386 9.055 1.00 0.00 C ATOM 323 O HIS A 22 -6.352 11.049 9.717 1.00 0.00 O ATOM 324 CB HIS A 22 -7.490 12.035 7.174 1.00 0.00 C ATOM 325 CG HIS A 22 -8.942 12.374 7.370 1.00 0.00 C ATOM 326 ND1 HIS A 22 -10.067 12.032 6.661 1.00 0.00 N flip ATOM 327 CD2 HIS A 22 -9.381 13.166 8.420 1.00 0.00 C flip ATOM 328 CE1 HIS A 22 -11.188 12.601 7.259 1.00 0.00 C flip ATOM 329 NE2 HIS A 22 -10.718 13.273 8.313 1.00 0.00 N flip ATOM 0 H HIS A 22 -9.261 9.833 7.632 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.313 10.221 7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.867 12.689 7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -7.204 12.201 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.763 13.615 9.184 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.216 12.517 6.939 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.302 13.804 8.959 1.00 0.00 H new ATOM 337 N GLY A 23 -7.844 9.455 9.582 1.00 0.00 N ATOM 338 CA GLY A 23 -7.727 9.182 11.036 1.00 0.00 C ATOM 339 C GLY A 23 -8.734 8.106 11.446 1.00 0.00 C ATOM 340 O GLY A 23 -9.063 7.235 10.667 1.00 0.00 O ATOM 0 H GLY A 23 -8.509 8.869 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.715 8.854 11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.907 10.096 11.602 1.00 0.00 H new ATOM 344 N SER A 24 -9.235 8.145 12.658 1.00 0.00 N ATOM 345 CA SER A 24 -10.220 7.101 13.067 1.00 0.00 C ATOM 346 C SER A 24 -11.500 7.244 12.246 1.00 0.00 C ATOM 347 O SER A 24 -12.381 6.410 12.289 1.00 0.00 O ATOM 348 CB SER A 24 -10.507 7.389 14.521 1.00 0.00 C ATOM 349 OG SER A 24 -9.366 7.982 15.124 1.00 0.00 O ATOM 0 H SER A 24 -9.008 8.842 13.368 1.00 0.00 H new ATOM 0 HA SER A 24 -9.842 6.091 12.911 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.365 8.056 14.607 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.767 6.467 15.040 1.00 0.00 H new ATOM 0 HG SER A 24 -9.555 8.170 16.067 1.00 0.00 H new ATOM 355 N GLU A 25 -11.602 8.306 11.506 1.00 0.00 N ATOM 356 CA GLU A 25 -12.776 8.557 10.685 1.00 0.00 C ATOM 357 C GLU A 25 -13.006 7.569 9.583 1.00 0.00 C ATOM 358 O GLU A 25 -12.297 6.611 9.348 1.00 0.00 O ATOM 359 CB GLU A 25 -12.511 9.900 10.079 1.00 0.00 C ATOM 360 CG GLU A 25 -13.121 10.949 10.971 1.00 0.00 C ATOM 361 CD GLU A 25 -12.067 11.982 11.376 1.00 0.00 C ATOM 362 OE1 GLU A 25 -10.913 11.788 11.034 1.00 0.00 O ATOM 363 OE2 GLU A 25 -12.434 12.950 12.024 1.00 0.00 O ATOM 0 H GLU A 25 -10.884 9.028 11.445 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.670 8.487 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.439 10.066 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.939 9.956 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.943 11.443 10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.541 10.480 11.861 1.00 0.00 H new ATOM 370 N PRO A 26 -14.102 7.890 9.031 1.00 0.00 N ATOM 371 CA PRO A 26 -14.797 7.192 7.964 1.00 0.00 C ATOM 372 C PRO A 26 -14.682 7.947 6.658 1.00 0.00 C ATOM 373 O PRO A 26 -15.025 9.106 6.538 1.00 0.00 O ATOM 374 CB PRO A 26 -16.213 7.223 8.586 1.00 0.00 C ATOM 375 CG PRO A 26 -16.146 8.359 9.615 1.00 0.00 C ATOM 376 CD PRO A 26 -14.889 9.039 9.383 1.00 0.00 C ATOM 0 HA PRO A 26 -14.439 6.199 7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.976 7.414 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.462 6.272 9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.986 9.043 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.195 7.968 10.631 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -14.946 9.777 8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.515 9.556 10.267 1.00 0.00 H new ATOM 384 N CYS A 27 -14.186 7.263 5.682 1.00 0.00 N ATOM 385 CA CYS A 27 -14.012 7.893 4.332 1.00 0.00 C ATOM 386 C CYS A 27 -14.651 7.046 3.255 1.00 0.00 C ATOM 387 O CYS A 27 -14.400 5.866 3.114 1.00 0.00 O ATOM 388 CB CYS A 27 -12.505 8.042 4.101 1.00 0.00 C ATOM 389 SG CYS A 27 -11.705 6.415 4.120 1.00 0.00 S ATOM 0 H CYS A 27 -13.888 6.290 5.747 1.00 0.00 H new ATOM 0 HA CYS A 27 -14.502 8.866 4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.323 8.534 3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.072 8.677 4.874 1.00 0.00 H new ATOM 394 N ILE A 28 -15.472 7.681 2.487 1.00 0.00 N ATOM 395 CA ILE A 28 -16.167 7.032 1.389 1.00 0.00 C ATOM 396 C ILE A 28 -15.181 6.935 0.227 1.00 0.00 C ATOM 397 O ILE A 28 -13.985 6.874 0.425 1.00 0.00 O ATOM 398 CB ILE A 28 -17.304 8.018 1.168 1.00 0.00 C ATOM 399 CG1 ILE A 28 -18.030 8.237 2.435 1.00 0.00 C ATOM 400 CG2 ILE A 28 -18.292 7.531 0.145 1.00 0.00 C ATOM 401 CD1 ILE A 28 -18.636 6.919 2.946 1.00 0.00 C ATOM 0 H ILE A 28 -15.692 8.672 2.591 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.537 6.018 1.537 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.854 8.942 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.351 8.646 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.820 8.973 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -19.084 8.270 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -17.785 7.382 -0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -18.724 6.587 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -19.167 7.101 3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -19.331 6.526 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.840 6.194 3.116 1.00 0.00 H new ATOM 413 N ILE A 29 -15.655 6.916 -0.958 1.00 0.00 N ATOM 414 CA ILE A 29 -14.741 6.818 -2.118 1.00 0.00 C ATOM 415 C ILE A 29 -14.998 7.926 -3.122 1.00 0.00 C ATOM 416 O ILE A 29 -16.053 8.038 -3.713 1.00 0.00 O ATOM 417 CB ILE A 29 -14.934 5.420 -2.674 1.00 0.00 C ATOM 418 CG1 ILE A 29 -13.557 4.765 -2.802 1.00 0.00 C ATOM 419 CG2 ILE A 29 -15.663 5.431 -4.031 1.00 0.00 C ATOM 420 CD1 ILE A 29 -12.801 5.310 -4.009 1.00 0.00 C ATOM 0 H ILE A 29 -16.647 6.964 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.697 6.961 -1.839 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.565 4.849 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.979 4.945 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.672 3.685 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -15.779 4.408 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.646 5.887 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -15.081 6.005 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.826 4.827 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.370 5.107 -4.917 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.666 6.386 -3.899 1.00 0.00 H new ATOM 432 N HIS A 30 -14.013 8.749 -3.296 1.00 0.00 N ATOM 433 CA HIS A 30 -14.130 9.884 -4.236 1.00 0.00 C ATOM 434 C HIS A 30 -14.224 9.374 -5.673 1.00 0.00 C ATOM 435 O HIS A 30 -15.259 8.906 -6.103 1.00 0.00 O ATOM 436 CB HIS A 30 -12.876 10.695 -4.021 1.00 0.00 C ATOM 437 CG HIS A 30 -13.065 11.614 -2.844 1.00 0.00 C ATOM 438 ND1 HIS A 30 -12.217 11.596 -1.749 1.00 0.00 N ATOM 439 CD2 HIS A 30 -14.001 12.583 -2.578 1.00 0.00 C ATOM 440 CE1 HIS A 30 -12.654 12.528 -0.882 1.00 0.00 C ATOM 441 NE2 HIS A 30 -13.739 13.159 -1.338 1.00 0.00 N ATOM 0 H HIS A 30 -13.115 8.681 -2.817 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.027 10.480 -4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.028 10.033 -3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.648 11.275 -4.915 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -14.816 12.857 -3.231 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.184 12.740 0.067 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.263 13.903 -0.877 1.00 0.00 H new ATOM 449 N ARG A 31 -13.155 9.429 -6.415 1.00 0.00 N ATOM 450 CA ARG A 31 -13.230 8.897 -7.820 1.00 0.00 C ATOM 451 C ARG A 31 -13.805 7.496 -7.740 1.00 0.00 C ATOM 452 O ARG A 31 -13.973 6.964 -6.660 1.00 0.00 O ATOM 453 CB ARG A 31 -11.825 8.877 -8.396 1.00 0.00 C ATOM 454 CG ARG A 31 -11.526 10.217 -9.061 1.00 0.00 C ATOM 455 CD ARG A 31 -10.063 10.200 -9.502 1.00 0.00 C ATOM 456 NE ARG A 31 -9.792 11.572 -10.012 1.00 0.00 N ATOM 457 CZ ARG A 31 -10.286 11.952 -11.158 1.00 0.00 C ATOM 458 NH1 ARG A 31 -9.908 11.364 -12.261 1.00 0.00 N ATOM 459 NH2 ARG A 31 -11.159 12.919 -11.201 1.00 0.00 N ATOM 0 H ARG A 31 -12.252 9.807 -6.128 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.860 9.513 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.100 8.682 -7.606 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.730 8.070 -9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.182 10.374 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.707 11.037 -8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.404 9.952 -8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.894 9.452 -10.276 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.220 12.215 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.226 10.607 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.295 11.662 -13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.455 13.378 -10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.546 13.217 -12.096 1.00 0.00 H new ATOM 473 N GLY A 32 -14.124 6.869 -8.831 1.00 0.00 N ATOM 474 CA GLY A 32 -14.681 5.526 -8.705 1.00 0.00 C ATOM 475 C GLY A 32 -13.637 4.642 -8.037 1.00 0.00 C ATOM 476 O GLY A 32 -13.598 4.578 -6.826 1.00 0.00 O ATOM 0 H GLY A 32 -14.022 7.228 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.596 5.547 -8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.944 5.130 -9.686 1.00 0.00 H new ATOM 480 N LYS A 33 -12.790 3.933 -8.765 1.00 0.00 N ATOM 481 CA LYS A 33 -11.851 3.095 -8.039 1.00 0.00 C ATOM 482 C LYS A 33 -10.379 3.321 -8.376 1.00 0.00 C ATOM 483 O LYS A 33 -9.817 2.715 -9.277 1.00 0.00 O ATOM 484 CB LYS A 33 -12.298 1.707 -8.318 1.00 0.00 C ATOM 485 CG LYS A 33 -13.788 1.650 -8.040 1.00 0.00 C ATOM 486 CD LYS A 33 -14.100 2.069 -6.606 1.00 0.00 C ATOM 487 CE LYS A 33 -14.780 0.920 -5.863 1.00 0.00 C ATOM 488 NZ LYS A 33 -15.807 1.581 -5.010 1.00 0.00 N ATOM 0 H LYS A 33 -12.730 3.916 -9.783 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.871 3.341 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.089 1.437 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.762 0.997 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.315 2.303 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.154 0.638 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.181 2.352 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.747 2.946 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.236 0.214 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.065 0.359 -5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.321 0.860 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.342 2.243 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.476 2.102 -5.613 1.00 0.00 H new ATOM 502 N PRO A 34 -9.811 4.201 -7.621 1.00 0.00 N ATOM 503 CA PRO A 34 -8.381 4.577 -7.705 1.00 0.00 C ATOM 504 C PRO A 34 -7.636 4.037 -6.494 1.00 0.00 C ATOM 505 O PRO A 34 -8.151 4.024 -5.395 1.00 0.00 O ATOM 506 CB PRO A 34 -8.488 6.090 -7.615 1.00 0.00 C ATOM 507 CG PRO A 34 -9.766 6.341 -6.817 1.00 0.00 C ATOM 508 CD PRO A 34 -10.472 5.005 -6.633 1.00 0.00 C ATOM 0 HA PRO A 34 -7.855 4.204 -8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.619 6.520 -7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.544 6.543 -8.605 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.531 6.785 -5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.412 7.045 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.344 4.607 -5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.545 5.078 -6.813 1.00 0.00 H new ATOM 516 N PHE A 35 -6.421 3.609 -6.677 1.00 0.00 N ATOM 517 CA PHE A 35 -5.653 3.091 -5.511 1.00 0.00 C ATOM 518 C PHE A 35 -4.325 3.845 -5.390 1.00 0.00 C ATOM 519 O PHE A 35 -3.357 3.539 -6.065 1.00 0.00 O ATOM 520 CB PHE A 35 -5.451 1.606 -5.774 1.00 0.00 C ATOM 521 CG PHE A 35 -6.800 0.966 -6.105 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.963 1.361 -5.414 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.897 -0.020 -7.104 1.00 0.00 C ATOM 524 CE1 PHE A 35 -9.199 0.779 -5.720 1.00 0.00 C ATOM 525 CE2 PHE A 35 -8.137 -0.599 -7.404 1.00 0.00 C ATOM 526 CZ PHE A 35 -9.285 -0.200 -6.713 1.00 0.00 C ATOM 0 H PHE A 35 -5.930 3.594 -7.571 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.175 3.238 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.754 1.462 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.012 1.126 -4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.900 2.116 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.013 -0.331 -7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.087 1.087 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.206 -1.356 -8.171 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.239 -0.649 -6.947 1.00 0.00 H new ATOM 536 N GLN A 36 -4.292 4.858 -4.568 1.00 0.00 N ATOM 537 CA GLN A 36 -3.040 5.680 -4.401 1.00 0.00 C ATOM 538 C GLN A 36 -2.492 5.564 -2.949 1.00 0.00 C ATOM 539 O GLN A 36 -2.929 6.277 -2.068 1.00 0.00 O ATOM 540 CB GLN A 36 -3.468 7.119 -4.677 1.00 0.00 C ATOM 541 CG GLN A 36 -3.742 7.273 -6.117 1.00 0.00 C ATOM 542 CD GLN A 36 -5.053 6.554 -6.510 1.00 0.00 C ATOM 543 OE1 GLN A 36 -6.001 6.569 -5.749 1.00 0.00 O ATOM 544 NE2 GLN A 36 -5.168 5.916 -7.667 1.00 0.00 N ATOM 0 H GLN A 36 -5.081 5.161 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.248 5.343 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.357 7.365 -4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.684 7.810 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.815 8.332 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.912 6.866 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.382 5.894 -8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.042 5.448 -7.907 1.00 0.00 H new ATOM 553 N LEU A 37 -1.531 4.696 -2.690 1.00 0.00 N ATOM 554 CA LEU A 37 -0.962 4.570 -1.319 1.00 0.00 C ATOM 555 C LEU A 37 0.471 5.139 -1.326 1.00 0.00 C ATOM 556 O LEU A 37 1.246 4.857 -2.219 1.00 0.00 O ATOM 557 CB LEU A 37 -0.880 3.050 -1.009 1.00 0.00 C ATOM 558 CG LEU A 37 -1.759 2.208 -1.937 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.584 0.720 -1.597 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.229 2.587 -1.759 1.00 0.00 C ATOM 0 H LEU A 37 -1.120 4.069 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.569 5.101 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.155 2.721 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.181 2.878 0.024 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.460 2.394 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.210 0.120 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.540 0.437 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.878 0.546 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.844 1.981 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.528 2.409 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.365 3.641 -1.999 1.00 0.00 H new ATOM 572 N GLU A 38 0.846 5.912 -0.336 1.00 0.00 N ATOM 573 CA GLU A 38 2.236 6.453 -0.293 1.00 0.00 C ATOM 574 C GLU A 38 2.678 6.393 1.131 1.00 0.00 C ATOM 575 O GLU A 38 2.009 6.831 2.033 1.00 0.00 O ATOM 576 CB GLU A 38 2.147 7.895 -0.820 1.00 0.00 C ATOM 577 CG GLU A 38 1.505 8.795 0.243 1.00 0.00 C ATOM 578 CD GLU A 38 2.599 9.489 1.058 1.00 0.00 C ATOM 579 OE1 GLU A 38 3.455 8.794 1.579 1.00 0.00 O ATOM 580 OE2 GLU A 38 2.561 10.704 1.147 1.00 0.00 O ATOM 0 H GLU A 38 0.249 6.190 0.442 1.00 0.00 H new ATOM 0 HA GLU A 38 2.954 5.899 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.142 8.263 -1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.558 7.922 -1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.866 9.538 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.869 8.202 0.900 1.00 0.00 H new ATOM 587 N ALA A 39 3.767 5.764 1.335 1.00 0.00 N ATOM 588 CA ALA A 39 4.231 5.566 2.748 1.00 0.00 C ATOM 589 C ALA A 39 5.744 5.648 2.918 1.00 0.00 C ATOM 590 O ALA A 39 6.524 5.337 2.043 1.00 0.00 O ATOM 591 CB ALA A 39 3.757 4.148 3.084 1.00 0.00 C ATOM 0 H ALA A 39 4.369 5.372 0.611 1.00 0.00 H new ATOM 0 HA ALA A 39 3.835 6.349 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.047 3.900 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.672 4.096 2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.214 3.439 2.394 1.00 0.00 H new ATOM 597 N VAL A 40 6.117 6.038 4.097 1.00 0.00 N ATOM 598 CA VAL A 40 7.543 6.142 4.492 1.00 0.00 C ATOM 599 C VAL A 40 7.838 5.047 5.523 1.00 0.00 C ATOM 600 O VAL A 40 7.012 4.739 6.380 1.00 0.00 O ATOM 601 CB VAL A 40 7.773 7.533 5.060 1.00 0.00 C ATOM 602 CG1 VAL A 40 8.344 8.439 3.966 1.00 0.00 C ATOM 603 CG2 VAL A 40 6.464 8.108 5.559 1.00 0.00 C ATOM 0 H VAL A 40 5.463 6.300 4.835 1.00 0.00 H new ATOM 0 HA VAL A 40 8.214 6.000 3.645 1.00 0.00 H new ATOM 0 HB VAL A 40 8.476 7.471 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.510 9.437 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.290 8.029 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.639 8.496 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.636 9.105 5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.755 8.170 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.057 7.464 6.339 1.00 0.00 H new ATOM 613 N PHE A 41 9.014 4.448 5.394 1.00 0.00 N ATOM 614 CA PHE A 41 9.463 3.342 6.265 1.00 0.00 C ATOM 615 C PHE A 41 10.996 3.261 6.181 1.00 0.00 C ATOM 616 O PHE A 41 11.560 3.148 5.107 1.00 0.00 O ATOM 617 CB PHE A 41 8.882 2.049 5.655 1.00 0.00 C ATOM 618 CG PHE A 41 8.922 2.115 4.138 1.00 0.00 C ATOM 619 CD1 PHE A 41 10.111 1.818 3.446 1.00 0.00 C ATOM 620 CD2 PHE A 41 7.766 2.446 3.420 1.00 0.00 C ATOM 621 CE1 PHE A 41 10.140 1.860 2.047 1.00 0.00 C ATOM 622 CE2 PHE A 41 7.797 2.482 2.022 1.00 0.00 C ATOM 623 CZ PHE A 41 8.983 2.192 1.336 1.00 0.00 C ATOM 0 H PHE A 41 9.696 4.709 4.682 1.00 0.00 H new ATOM 0 HA PHE A 41 9.148 3.483 7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.452 1.187 6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.855 1.910 5.992 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.003 1.557 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.850 2.673 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.055 1.636 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.904 2.734 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.004 2.225 0.257 1.00 0.00 H new ATOM 633 N GLU A 42 11.677 3.317 7.271 1.00 0.00 N ATOM 634 CA GLU A 42 13.169 3.196 7.220 1.00 0.00 C ATOM 635 C GLU A 42 13.537 1.775 6.864 1.00 0.00 C ATOM 636 O GLU A 42 12.800 0.832 7.071 1.00 0.00 O ATOM 637 CB GLU A 42 13.698 3.496 8.601 1.00 0.00 C ATOM 638 CG GLU A 42 15.100 4.076 8.437 1.00 0.00 C ATOM 639 CD GLU A 42 15.433 4.972 9.630 1.00 0.00 C ATOM 640 OE1 GLU A 42 15.265 4.520 10.751 1.00 0.00 O ATOM 641 OE2 GLU A 42 15.849 6.096 9.404 1.00 0.00 O ATOM 0 H GLU A 42 11.280 3.441 8.203 1.00 0.00 H new ATOM 0 HA GLU A 42 13.585 3.881 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.048 4.203 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.726 2.590 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.830 3.270 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.160 4.649 7.512 1.00 0.00 H new ATOM 648 N ALA A 43 14.690 1.649 6.353 1.00 0.00 N ATOM 649 CA ALA A 43 15.237 0.309 5.962 1.00 0.00 C ATOM 650 C ALA A 43 15.995 -0.267 7.130 1.00 0.00 C ATOM 651 O ALA A 43 16.688 0.438 7.837 1.00 0.00 O ATOM 652 CB ALA A 43 16.187 0.595 4.796 1.00 0.00 C ATOM 0 H ALA A 43 15.321 2.430 6.172 1.00 0.00 H new ATOM 0 HA ALA A 43 14.462 -0.404 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.631 -0.339 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.632 1.057 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.976 1.271 5.127 1.00 0.00 H new ATOM 658 N ASN A 44 15.896 -1.547 7.338 1.00 0.00 N ATOM 659 CA ASN A 44 16.648 -2.116 8.455 1.00 0.00 C ATOM 660 C ASN A 44 17.613 -3.182 8.065 1.00 0.00 C ATOM 661 O ASN A 44 17.754 -4.244 8.637 1.00 0.00 O ATOM 662 CB ASN A 44 15.717 -2.478 9.617 1.00 0.00 C ATOM 663 CG ASN A 44 14.719 -3.602 9.228 1.00 0.00 C ATOM 664 OD1 ASN A 44 13.919 -3.507 8.175 1.00 0.00 O flip ATOM 665 ND2 ASN A 44 14.664 -4.605 9.910 1.00 0.00 N flip ATOM 0 H ASN A 44 15.337 -2.201 6.790 1.00 0.00 H new ATOM 0 HA ASN A 44 17.308 -1.333 8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 44 16.311 -2.800 10.472 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.163 -1.592 9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.270 -4.701 10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.012 -5.351 9.668 1.00 0.00 H new ATOM 672 N GLN A 45 18.326 -2.765 7.116 1.00 0.00 N ATOM 673 CA GLN A 45 19.438 -3.490 6.537 1.00 0.00 C ATOM 674 C GLN A 45 19.913 -2.900 5.228 1.00 0.00 C ATOM 675 O GLN A 45 19.695 -1.740 4.909 1.00 0.00 O ATOM 676 CB GLN A 45 18.929 -4.854 6.260 1.00 0.00 C ATOM 677 CG GLN A 45 17.553 -4.729 5.635 1.00 0.00 C ATOM 678 CD GLN A 45 16.766 -6.042 5.821 1.00 0.00 C ATOM 679 OE1 GLN A 45 16.888 -6.683 6.845 1.00 0.00 O ATOM 680 NE2 GLN A 45 15.958 -6.481 4.880 1.00 0.00 N ATOM 0 H GLN A 45 18.168 -1.860 6.673 1.00 0.00 H new ATOM 0 HA GLN A 45 20.281 -3.459 7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.605 -5.383 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 45 18.877 -5.434 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 45 17.010 -3.902 6.094 1.00 0.00 H new ATOM 0 HG3 GLN A 45 17.647 -4.499 4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.847 -5.952 4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.443 -7.351 5.015 1.00 0.00 H new ATOM 689 N ASN A 46 20.620 -3.684 4.499 1.00 0.00 N ATOM 690 CA ASN A 46 21.179 -3.248 3.212 1.00 0.00 C ATOM 691 C ASN A 46 20.468 -3.956 2.111 1.00 0.00 C ATOM 692 O ASN A 46 19.919 -5.026 2.270 1.00 0.00 O ATOM 693 CB ASN A 46 22.570 -3.722 3.293 1.00 0.00 C ATOM 694 CG ASN A 46 23.345 -3.320 2.038 1.00 0.00 C ATOM 695 OD1 ASN A 46 23.091 -2.283 1.460 1.00 0.00 O ATOM 696 ND2 ASN A 46 24.288 -4.103 1.589 1.00 0.00 N ATOM 0 H ASN A 46 20.843 -4.647 4.750 1.00 0.00 H new ATOM 0 HA ASN A 46 21.094 -2.178 3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.053 -3.303 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.585 -4.806 3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.811 -3.844 0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 46 24.502 -4.974 2.074 1.00 0.00 H new ATOM 703 N THR A 47 20.453 -3.344 1.017 1.00 0.00 N ATOM 704 CA THR A 47 19.728 -3.963 -0.141 1.00 0.00 C ATOM 705 C THR A 47 19.933 -3.191 -1.438 1.00 0.00 C ATOM 706 O THR A 47 20.218 -2.021 -1.415 1.00 0.00 O ATOM 707 CB THR A 47 18.259 -3.895 0.311 1.00 0.00 C ATOM 708 OG1 THR A 47 17.398 -3.914 -0.818 1.00 0.00 O ATOM 709 CG2 THR A 47 17.984 -2.611 1.108 1.00 0.00 C ATOM 0 H THR A 47 20.897 -2.444 0.835 1.00 0.00 H new ATOM 0 HA THR A 47 20.080 -4.970 -0.365 1.00 0.00 H new ATOM 0 HB THR A 47 18.070 -4.761 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.466 -3.872 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.938 -2.590 1.414 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.622 -2.588 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 47 18.197 -1.743 0.484 1.00 0.00 H new ATOM 717 N LYS A 48 19.773 -3.820 -2.575 1.00 0.00 N ATOM 718 CA LYS A 48 19.942 -3.058 -3.868 1.00 0.00 C ATOM 719 C LYS A 48 18.619 -3.002 -4.655 1.00 0.00 C ATOM 720 O LYS A 48 18.597 -2.568 -5.789 1.00 0.00 O ATOM 721 CB LYS A 48 20.981 -3.816 -4.668 1.00 0.00 C ATOM 722 CG LYS A 48 22.227 -4.017 -3.810 1.00 0.00 C ATOM 723 CD LYS A 48 22.431 -5.508 -3.538 1.00 0.00 C ATOM 724 CE LYS A 48 23.666 -6.002 -4.294 1.00 0.00 C ATOM 725 NZ LYS A 48 24.467 -6.745 -3.281 1.00 0.00 N ATOM 0 H LYS A 48 19.537 -4.808 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 48 20.245 -2.029 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.582 -4.780 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.234 -3.264 -5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.100 -3.607 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.123 -3.477 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.554 -5.680 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.551 -6.069 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.387 -6.647 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.232 -5.169 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.332 -7.115 -3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.724 -6.104 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.905 -7.536 -2.906 1.00 0.00 H new ATOM 739 N THR A 49 17.514 -3.421 -4.072 1.00 0.00 N ATOM 740 CA THR A 49 16.220 -3.373 -4.791 1.00 0.00 C ATOM 741 C THR A 49 15.070 -3.585 -3.836 1.00 0.00 C ATOM 742 O THR A 49 15.163 -4.306 -2.862 1.00 0.00 O ATOM 743 CB THR A 49 16.247 -4.464 -5.817 1.00 0.00 C ATOM 744 OG1 THR A 49 17.016 -5.566 -5.354 1.00 0.00 O ATOM 745 CG2 THR A 49 16.844 -3.874 -7.078 1.00 0.00 C ATOM 0 H THR A 49 17.466 -3.794 -3.124 1.00 0.00 H new ATOM 0 HA THR A 49 16.079 -2.399 -5.259 1.00 0.00 H new ATOM 0 HB THR A 49 15.242 -4.839 -6.012 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.022 -6.270 -6.036 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.882 -4.638 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.227 -3.042 -7.418 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.853 -3.517 -6.870 1.00 0.00 H new ATOM 753 N ALA A 50 13.982 -2.964 -4.127 1.00 0.00 N ATOM 754 CA ALA A 50 12.780 -3.120 -3.255 1.00 0.00 C ATOM 755 C ALA A 50 11.514 -3.009 -4.078 1.00 0.00 C ATOM 756 O ALA A 50 11.060 -1.945 -4.444 1.00 0.00 O ATOM 757 CB ALA A 50 12.860 -2.013 -2.198 1.00 0.00 C ATOM 0 H ALA A 50 13.859 -2.349 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 50 12.757 -4.100 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.000 -2.083 -1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.777 -2.127 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.860 -1.040 -2.689 1.00 0.00 H new ATOM 763 N LYS A 51 10.955 -4.139 -4.338 1.00 0.00 N ATOM 764 CA LYS A 51 9.678 -4.219 -5.126 1.00 0.00 C ATOM 765 C LYS A 51 8.487 -3.791 -4.270 1.00 0.00 C ATOM 766 O LYS A 51 8.619 -3.410 -3.115 1.00 0.00 O ATOM 767 CB LYS A 51 9.517 -5.684 -5.558 1.00 0.00 C ATOM 768 CG LYS A 51 10.850 -6.238 -6.077 1.00 0.00 C ATOM 769 CD LYS A 51 11.232 -5.522 -7.375 1.00 0.00 C ATOM 770 CE LYS A 51 12.443 -6.216 -8.004 1.00 0.00 C ATOM 771 NZ LYS A 51 13.466 -5.146 -8.158 1.00 0.00 N ATOM 0 H LYS A 51 11.324 -5.041 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 51 9.715 -3.553 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.171 -6.282 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.757 -5.759 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.630 -6.097 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.766 -7.311 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.392 -5.533 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.464 -4.477 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.809 -7.023 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.188 -6.659 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.388 -5.576 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.191 -4.512 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.535 -4.602 -7.274 1.00 0.00 H new ATOM 785 N ILE A 52 7.324 -3.928 -4.827 1.00 0.00 N ATOM 786 CA ILE A 52 6.055 -3.564 -4.103 1.00 0.00 C ATOM 787 C ILE A 52 4.973 -4.596 -4.418 1.00 0.00 C ATOM 788 O ILE A 52 4.836 -5.029 -5.545 1.00 0.00 O ATOM 789 CB ILE A 52 5.577 -2.180 -4.622 1.00 0.00 C ATOM 790 CG1 ILE A 52 6.655 -1.160 -4.385 1.00 0.00 C ATOM 791 CG2 ILE A 52 4.328 -1.767 -3.846 1.00 0.00 C ATOM 792 CD1 ILE A 52 6.178 0.249 -4.808 1.00 0.00 C ATOM 0 H ILE A 52 7.183 -4.283 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 52 6.237 -3.536 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 52 5.356 -2.242 -5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.931 -1.154 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.549 -1.431 -4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.983 -0.796 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.544 -2.509 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.565 -1.701 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.974 0.972 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.925 0.244 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.298 0.525 -4.226 1.00 0.00 H new ATOM 804 N GLU A 53 4.195 -4.996 -3.448 1.00 0.00 N ATOM 805 CA GLU A 53 3.142 -5.985 -3.728 1.00 0.00 C ATOM 806 C GLU A 53 1.889 -5.647 -2.977 1.00 0.00 C ATOM 807 O GLU A 53 1.786 -5.745 -1.761 1.00 0.00 O ATOM 808 CB GLU A 53 3.713 -7.320 -3.308 1.00 0.00 C ATOM 809 CG GLU A 53 2.605 -8.374 -3.271 1.00 0.00 C ATOM 810 CD GLU A 53 2.887 -9.447 -4.325 1.00 0.00 C ATOM 811 OE1 GLU A 53 2.801 -9.130 -5.501 1.00 0.00 O ATOM 812 OE2 GLU A 53 3.184 -10.566 -3.941 1.00 0.00 O ATOM 0 H GLU A 53 4.251 -4.676 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 53 2.862 -6.001 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.494 -7.626 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.177 -7.234 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.552 -8.827 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.638 -7.908 -3.461 1.00 0.00 H new ATOM 819 N ILE A 54 0.946 -5.248 -3.749 1.00 0.00 N ATOM 820 CA ILE A 54 -0.397 -4.871 -3.233 1.00 0.00 C ATOM 821 C ILE A 54 -1.279 -6.097 -3.217 1.00 0.00 C ATOM 822 O ILE A 54 -1.487 -6.755 -4.218 1.00 0.00 O ATOM 823 CB ILE A 54 -0.947 -3.893 -4.239 1.00 0.00 C ATOM 824 CG1 ILE A 54 -2.345 -3.537 -3.776 1.00 0.00 C ATOM 825 CG2 ILE A 54 -1.000 -4.548 -5.627 1.00 0.00 C ATOM 826 CD1 ILE A 54 -2.429 -2.034 -3.533 1.00 0.00 C ATOM 0 H ILE A 54 1.043 -5.160 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.351 -4.454 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.321 -3.004 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.076 -3.837 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.586 -4.079 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.398 -3.836 -6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.004 -4.846 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.644 -5.427 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.434 -1.775 -3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.708 -1.748 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.205 -1.503 -4.458 1.00 0.00 H new ATOM 838 N LYS A 55 -1.835 -6.370 -2.103 1.00 0.00 N ATOM 839 CA LYS A 55 -2.772 -7.528 -2.002 1.00 0.00 C ATOM 840 C LYS A 55 -4.098 -6.958 -1.522 1.00 0.00 C ATOM 841 O LYS A 55 -4.241 -6.599 -0.373 1.00 0.00 O ATOM 842 CB LYS A 55 -2.174 -8.536 -0.993 1.00 0.00 C ATOM 843 CG LYS A 55 -3.256 -9.529 -0.545 1.00 0.00 C ATOM 844 CD LYS A 55 -3.126 -9.784 0.959 1.00 0.00 C ATOM 845 CE LYS A 55 -4.114 -10.872 1.379 1.00 0.00 C ATOM 846 NZ LYS A 55 -3.703 -12.082 0.614 1.00 0.00 N ATOM 0 H LYS A 55 -1.693 -5.849 -1.238 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.921 -8.051 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.343 -9.072 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.774 -8.005 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.245 -9.132 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.154 -10.466 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.108 -10.090 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.323 -8.866 1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.071 -11.051 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.139 -10.586 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.797 -12.923 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.311 -12.187 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.713 -11.982 0.312 1.00 0.00 H new ATOM 860 N ALA A 56 -5.056 -6.805 -2.396 1.00 0.00 N ATOM 861 CA ALA A 56 -6.320 -6.182 -1.955 1.00 0.00 C ATOM 862 C ALA A 56 -7.458 -7.181 -1.917 1.00 0.00 C ATOM 863 O ALA A 56 -7.754 -7.852 -2.883 1.00 0.00 O ATOM 864 CB ALA A 56 -6.562 -5.087 -2.990 1.00 0.00 C ATOM 0 H ALA A 56 -5.014 -7.081 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.263 -5.793 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.485 -4.559 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.729 -4.385 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.645 -5.534 -3.980 1.00 0.00 H new ATOM 870 N SER A 57 -8.113 -7.264 -0.792 1.00 0.00 N ATOM 871 CA SER A 57 -9.265 -8.208 -0.673 1.00 0.00 C ATOM 872 C SER A 57 -10.541 -7.384 -0.803 1.00 0.00 C ATOM 873 O SER A 57 -10.930 -6.716 0.118 1.00 0.00 O ATOM 874 CB SER A 57 -9.130 -8.845 0.723 1.00 0.00 C ATOM 875 OG SER A 57 -9.807 -8.036 1.676 1.00 0.00 O ATOM 0 H SER A 57 -7.904 -6.723 0.047 1.00 0.00 H new ATOM 0 HA SER A 57 -9.287 -8.987 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.550 -9.851 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.078 -8.940 0.992 1.00 0.00 H new ATOM 0 HG SER A 57 -9.999 -7.159 1.283 1.00 0.00 H new ATOM 881 N ILE A 58 -11.158 -7.393 -1.957 1.00 0.00 N ATOM 882 CA ILE A 58 -12.397 -6.554 -2.178 1.00 0.00 C ATOM 883 C ILE A 58 -13.636 -7.459 -2.331 1.00 0.00 C ATOM 884 O ILE A 58 -13.796 -8.194 -3.280 1.00 0.00 O ATOM 885 CB ILE A 58 -12.097 -5.719 -3.472 1.00 0.00 C ATOM 886 CG1 ILE A 58 -12.570 -6.463 -4.730 1.00 0.00 C ATOM 887 CG2 ILE A 58 -10.596 -5.445 -3.587 1.00 0.00 C ATOM 888 CD1 ILE A 58 -14.045 -6.163 -5.000 1.00 0.00 C ATOM 0 H ILE A 58 -10.864 -7.944 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.620 -5.896 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.639 -4.777 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.968 -6.162 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.428 -7.536 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.400 -4.865 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.261 -4.884 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.056 -6.391 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.367 -6.697 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -14.644 -6.487 -4.149 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.177 -5.091 -5.150 1.00 0.00 H new ATOM 900 N ASP A 59 -14.497 -7.392 -1.363 1.00 0.00 N ATOM 901 CA ASP A 59 -15.776 -8.214 -1.361 1.00 0.00 C ATOM 902 C ASP A 59 -15.625 -9.556 -2.085 1.00 0.00 C ATOM 903 O ASP A 59 -16.308 -9.834 -3.051 1.00 0.00 O ATOM 904 CB ASP A 59 -16.848 -7.364 -2.065 1.00 0.00 C ATOM 905 CG ASP A 59 -16.439 -5.887 -2.103 1.00 0.00 C ATOM 906 OD1 ASP A 59 -16.428 -5.268 -1.052 1.00 0.00 O ATOM 907 OD2 ASP A 59 -16.141 -5.402 -3.184 1.00 0.00 O ATOM 0 H ASP A 59 -14.383 -6.794 -0.545 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.044 -8.454 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.998 -7.730 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.800 -7.468 -1.544 1.00 0.00 H new ATOM 912 N GLY A 60 -14.772 -10.404 -1.594 1.00 0.00 N ATOM 913 CA GLY A 60 -14.599 -11.753 -2.203 1.00 0.00 C ATOM 914 C GLY A 60 -13.808 -11.678 -3.505 1.00 0.00 C ATOM 915 O GLY A 60 -13.394 -12.683 -4.047 1.00 0.00 O ATOM 0 H GLY A 60 -14.178 -10.220 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.084 -12.408 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.577 -12.196 -2.394 1.00 0.00 H new ATOM 919 N LEU A 61 -13.618 -10.509 -4.028 1.00 0.00 N ATOM 920 CA LEU A 61 -12.897 -10.365 -5.285 1.00 0.00 C ATOM 921 C LEU A 61 -11.515 -9.762 -5.061 1.00 0.00 C ATOM 922 O LEU A 61 -11.167 -8.748 -5.632 1.00 0.00 O ATOM 923 CB LEU A 61 -13.759 -9.413 -6.003 1.00 0.00 C ATOM 924 CG LEU A 61 -13.826 -9.839 -7.461 1.00 0.00 C ATOM 925 CD1 LEU A 61 -15.276 -9.804 -7.944 1.00 0.00 C ATOM 926 CD2 LEU A 61 -12.975 -8.897 -8.317 1.00 0.00 C ATOM 0 H LEU A 61 -13.944 -9.634 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.723 -11.307 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.757 -9.399 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.360 -8.402 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.441 -10.854 -7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -15.319 -10.110 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.877 -10.485 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.668 -8.792 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.027 -9.207 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.352 -7.879 -8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.939 -8.934 -7.979 1.00 0.00 H new ATOM 938 N GLU A 62 -10.722 -10.378 -4.234 1.00 0.00 N ATOM 939 CA GLU A 62 -9.400 -9.889 -3.949 1.00 0.00 C ATOM 940 C GLU A 62 -8.613 -9.692 -5.238 1.00 0.00 C ATOM 941 O GLU A 62 -8.305 -10.623 -5.957 1.00 0.00 O ATOM 942 CB GLU A 62 -8.958 -11.046 -3.069 1.00 0.00 C ATOM 943 CG GLU A 62 -7.746 -11.757 -3.642 1.00 0.00 C ATOM 944 CD GLU A 62 -6.879 -12.296 -2.502 1.00 0.00 C ATOM 945 OE1 GLU A 62 -7.433 -12.906 -1.602 1.00 0.00 O ATOM 946 OE2 GLU A 62 -5.678 -12.088 -2.546 1.00 0.00 O ATOM 0 H GLU A 62 -10.971 -11.233 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.288 -8.911 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.724 -10.675 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.779 -11.755 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.064 -12.575 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.167 -11.070 -4.259 1.00 0.00 H new ATOM 953 N VAL A 63 -8.302 -8.465 -5.529 1.00 0.00 N ATOM 954 CA VAL A 63 -7.547 -8.165 -6.767 1.00 0.00 C ATOM 955 C VAL A 63 -6.083 -8.497 -6.616 1.00 0.00 C ATOM 956 O VAL A 63 -5.475 -8.329 -5.579 1.00 0.00 O ATOM 957 CB VAL A 63 -7.689 -6.691 -7.029 1.00 0.00 C ATOM 958 CG1 VAL A 63 -9.171 -6.325 -7.103 1.00 0.00 C ATOM 959 CG2 VAL A 63 -7.006 -5.909 -5.907 1.00 0.00 C ATOM 0 H VAL A 63 -8.540 -7.654 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.941 -8.765 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.216 -6.438 -7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.273 -5.257 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.644 -6.884 -7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.655 -6.573 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.107 -4.840 -6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.474 -6.156 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.949 -6.172 -5.871 1.00 0.00 H new ATOM 969 N ASP A 64 -5.551 -9.027 -7.651 1.00 0.00 N ATOM 970 CA ASP A 64 -4.168 -9.474 -7.667 1.00 0.00 C ATOM 971 C ASP A 64 -3.511 -9.118 -8.989 1.00 0.00 C ATOM 972 O ASP A 64 -3.467 -9.903 -9.913 1.00 0.00 O ATOM 973 CB ASP A 64 -4.458 -10.909 -7.661 1.00 0.00 C ATOM 974 CG ASP A 64 -3.267 -11.716 -7.143 1.00 0.00 C ATOM 975 OD1 ASP A 64 -2.490 -11.166 -6.381 1.00 0.00 O ATOM 976 OD2 ASP A 64 -3.152 -12.872 -7.518 1.00 0.00 O ATOM 0 H ASP A 64 -6.048 -9.174 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.516 -9.076 -6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.330 -11.103 -7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.709 -11.235 -8.670 1.00 0.00 H new ATOM 981 N VAL A 65 -3.021 -7.944 -9.081 1.00 0.00 N ATOM 982 CA VAL A 65 -2.373 -7.511 -10.361 1.00 0.00 C ATOM 983 C VAL A 65 -1.427 -6.326 -10.122 1.00 0.00 C ATOM 984 O VAL A 65 -1.659 -5.536 -9.227 1.00 0.00 O ATOM 985 CB VAL A 65 -3.544 -7.093 -11.257 1.00 0.00 C ATOM 986 CG1 VAL A 65 -4.128 -5.775 -10.746 1.00 0.00 C ATOM 987 CG2 VAL A 65 -3.058 -6.907 -12.697 1.00 0.00 C ATOM 0 H VAL A 65 -3.029 -7.246 -8.337 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.767 -8.301 -10.805 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.309 -7.869 -11.233 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.961 -5.475 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.481 -5.906 -9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.359 -5.003 -10.769 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.896 -6.610 -13.328 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.290 -6.134 -12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.642 -7.845 -13.064 1.00 0.00 H new ATOM 997 N PRO A 66 -0.388 -6.221 -10.928 1.00 0.00 N ATOM 998 CA PRO A 66 0.564 -5.101 -10.766 1.00 0.00 C ATOM 999 C PRO A 66 -0.032 -3.803 -11.239 1.00 0.00 C ATOM 1000 O PRO A 66 -0.725 -3.701 -12.232 1.00 0.00 O ATOM 1001 CB PRO A 66 1.767 -5.495 -11.600 1.00 0.00 C ATOM 1002 CG PRO A 66 1.234 -6.445 -12.626 1.00 0.00 C ATOM 1003 CD PRO A 66 0.005 -7.105 -12.043 1.00 0.00 C ATOM 0 HA PRO A 66 0.828 -4.935 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.224 -4.624 -12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.535 -5.967 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.984 -5.915 -13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.985 -7.192 -12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.790 -7.189 -12.783 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.223 -8.114 -11.693 1.00 0.00 H new ATOM 1011 N GLY A 67 0.234 -2.830 -10.459 1.00 0.00 N ATOM 1012 CA GLY A 67 -0.308 -1.446 -10.723 1.00 0.00 C ATOM 1013 C GLY A 67 0.797 -0.384 -10.980 1.00 0.00 C ATOM 1014 O GLY A 67 0.740 0.317 -11.970 1.00 0.00 O ATOM 0 H GLY A 67 0.814 -2.907 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.972 -1.484 -11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.911 -1.132 -9.871 1.00 0.00 H new ATOM 1018 N ILE A 68 1.783 -0.215 -10.116 1.00 0.00 N ATOM 1019 CA ILE A 68 2.807 0.843 -10.371 1.00 0.00 C ATOM 1020 C ILE A 68 4.199 0.205 -10.551 1.00 0.00 C ATOM 1021 O ILE A 68 4.312 -0.955 -10.898 1.00 0.00 O ATOM 1022 CB ILE A 68 2.748 1.728 -9.116 1.00 0.00 C ATOM 1023 CG1 ILE A 68 3.162 3.133 -9.475 1.00 0.00 C ATOM 1024 CG2 ILE A 68 3.667 1.181 -8.023 1.00 0.00 C ATOM 1025 CD1 ILE A 68 1.918 3.927 -9.869 1.00 0.00 C ATOM 0 H ILE A 68 1.915 -0.757 -9.262 1.00 0.00 H new ATOM 0 HA ILE A 68 2.620 1.414 -11.281 1.00 0.00 H new ATOM 0 HB ILE A 68 1.726 1.730 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.660 3.607 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.876 3.117 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.609 1.823 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.354 0.172 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.694 1.158 -8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.204 4.946 -10.131 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.440 3.453 -10.726 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.221 3.950 -9.031 1.00 0.00 H new ATOM 1037 N ASP A 69 5.251 0.938 -10.302 1.00 0.00 N ATOM 1038 CA ASP A 69 6.630 0.345 -10.444 1.00 0.00 C ATOM 1039 C ASP A 69 7.223 0.143 -9.067 1.00 0.00 C ATOM 1040 O ASP A 69 7.917 0.977 -8.520 1.00 0.00 O ATOM 1041 CB ASP A 69 7.476 1.303 -11.259 1.00 0.00 C ATOM 1042 CG ASP A 69 8.955 0.985 -11.058 1.00 0.00 C ATOM 1043 OD1 ASP A 69 9.530 1.483 -10.106 1.00 0.00 O ATOM 1044 OD2 ASP A 69 9.489 0.256 -11.876 1.00 0.00 O ATOM 0 H ASP A 69 5.225 1.914 -10.008 1.00 0.00 H new ATOM 0 HA ASP A 69 6.592 -0.620 -10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.218 1.223 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.271 2.330 -10.958 1.00 0.00 H new ATOM 1049 N PRO A 70 6.922 -1.014 -8.595 1.00 0.00 N ATOM 1050 CA PRO A 70 7.386 -1.523 -7.282 1.00 0.00 C ATOM 1051 C PRO A 70 8.885 -1.386 -7.004 1.00 0.00 C ATOM 1052 O PRO A 70 9.317 -1.567 -5.887 1.00 0.00 O ATOM 1053 CB PRO A 70 7.015 -2.987 -7.380 1.00 0.00 C ATOM 1054 CG PRO A 70 6.857 -3.202 -8.865 1.00 0.00 C ATOM 1055 CD PRO A 70 6.099 -2.025 -9.250 1.00 0.00 C ATOM 0 HA PRO A 70 6.939 -0.955 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.790 -3.628 -6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.093 -3.206 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.818 -3.256 -9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.324 -4.125 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.045 -1.891 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.074 -2.042 -8.879 1.00 0.00 H new ATOM 1063 N ASN A 71 9.692 -1.088 -7.963 1.00 0.00 N ATOM 1064 CA ASN A 71 11.139 -0.979 -7.661 1.00 0.00 C ATOM 1065 C ASN A 71 11.565 0.481 -7.794 1.00 0.00 C ATOM 1066 O ASN A 71 12.035 0.920 -8.825 1.00 0.00 O ATOM 1067 CB ASN A 71 11.833 -1.887 -8.687 1.00 0.00 C ATOM 1068 CG ASN A 71 11.223 -1.666 -10.069 1.00 0.00 C ATOM 1069 OD1 ASN A 71 11.374 -0.515 -10.653 1.00 0.00 O flip ATOM 1070 ND2 ASN A 71 10.603 -2.552 -10.622 1.00 0.00 N flip ATOM 0 H ASN A 71 9.424 -0.916 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 71 11.398 -1.287 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.901 -1.672 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.725 -2.931 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.485 -3.455 -10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.200 -2.393 -11.546 1.00 0.00 H new ATOM 1077 N ALA A 72 11.397 1.235 -6.743 1.00 0.00 N ATOM 1078 CA ALA A 72 11.775 2.669 -6.774 1.00 0.00 C ATOM 1079 C ALA A 72 13.289 2.796 -6.614 1.00 0.00 C ATOM 1080 O ALA A 72 13.800 3.875 -6.386 1.00 0.00 O ATOM 1081 CB ALA A 72 11.069 3.292 -5.568 1.00 0.00 C ATOM 0 H ALA A 72 11.010 0.912 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 72 11.494 3.156 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.300 4.356 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.992 3.158 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.412 2.806 -4.655 1.00 0.00 H new ATOM 1087 N CYS A 73 14.030 1.710 -6.722 1.00 0.00 N ATOM 1088 CA CYS A 73 15.479 1.823 -6.561 1.00 0.00 C ATOM 1089 C CYS A 73 16.048 2.401 -7.839 1.00 0.00 C ATOM 1090 O CYS A 73 17.086 3.034 -7.845 1.00 0.00 O ATOM 1091 CB CYS A 73 15.910 0.412 -6.307 1.00 0.00 C ATOM 1092 SG CYS A 73 17.217 0.379 -5.048 1.00 0.00 S ATOM 0 H CYS A 73 13.678 0.772 -6.913 1.00 0.00 H new ATOM 0 HA CYS A 73 15.814 2.477 -5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.059 -0.183 -5.975 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.272 -0.038 -7.231 1.00 0.00 H new ATOM 1097 N HIS A 74 15.308 2.290 -8.904 1.00 0.00 N ATOM 1098 CA HIS A 74 15.731 2.941 -10.140 1.00 0.00 C ATOM 1099 C HIS A 74 15.167 4.363 -10.098 1.00 0.00 C ATOM 1100 O HIS A 74 15.053 5.042 -11.099 1.00 0.00 O ATOM 1101 CB HIS A 74 15.195 2.175 -11.348 1.00 0.00 C ATOM 1102 CG HIS A 74 14.860 0.772 -10.978 1.00 0.00 C ATOM 1103 ND1 HIS A 74 15.619 0.096 -10.066 1.00 0.00 N ATOM 1104 CD2 HIS A 74 13.883 -0.097 -11.388 1.00 0.00 C ATOM 1105 CE1 HIS A 74 15.106 -1.140 -9.938 1.00 0.00 C ATOM 1106 NE2 HIS A 74 14.040 -1.314 -10.727 1.00 0.00 N ATOM 0 H HIS A 74 14.430 1.773 -8.958 1.00 0.00 H new ATOM 0 HA HIS A 74 16.817 2.961 -10.230 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.308 2.675 -11.737 1.00 0.00 H new ATOM 0 HB3 HIS A 74 15.938 2.178 -12.145 1.00 0.00 H new ATOM 0 HD1 HIS A 74 16.431 0.464 -9.570 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.112 0.126 -12.110 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.505 -1.898 -9.280 1.00 0.00 H new ATOM 1114 N TYR A 75 14.815 4.809 -8.905 1.00 0.00 N ATOM 1115 CA TYR A 75 14.266 6.145 -8.711 1.00 0.00 C ATOM 1116 C TYR A 75 14.960 6.831 -7.531 1.00 0.00 C ATOM 1117 O TYR A 75 14.798 8.018 -7.327 1.00 0.00 O ATOM 1118 CB TYR A 75 12.758 6.013 -8.467 1.00 0.00 C ATOM 1119 CG TYR A 75 12.098 5.082 -9.492 1.00 0.00 C ATOM 1120 CD1 TYR A 75 12.495 3.733 -9.637 1.00 0.00 C ATOM 1121 CD2 TYR A 75 11.075 5.582 -10.318 1.00 0.00 C ATOM 1122 CE1 TYR A 75 11.873 2.919 -10.598 1.00 0.00 C ATOM 1123 CE2 TYR A 75 10.469 4.763 -11.277 1.00 0.00 C ATOM 1124 CZ TYR A 75 10.868 3.437 -11.416 1.00 0.00 C ATOM 1125 OH TYR A 75 10.279 2.644 -12.376 1.00 0.00 O ATOM 0 H TYR A 75 14.900 4.263 -8.048 1.00 0.00 H new ATOM 0 HA TYR A 75 14.436 6.760 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.584 5.629 -7.462 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.293 6.998 -8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.276 3.329 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.754 6.608 -10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.174 1.887 -10.704 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.690 5.161 -11.911 1.00 0.00 H new ATOM 0 HH TYR A 75 10.646 1.737 -12.321 1.00 0.00 H new ATOM 1135 N MET A 76 15.760 6.121 -6.756 1.00 0.00 N ATOM 1136 CA MET A 76 16.444 6.788 -5.648 1.00 0.00 C ATOM 1137 C MET A 76 17.565 5.954 -5.046 1.00 0.00 C ATOM 1138 O MET A 76 17.424 4.810 -4.662 1.00 0.00 O ATOM 1139 CB MET A 76 15.395 7.153 -4.628 1.00 0.00 C ATOM 1140 CG MET A 76 15.089 5.933 -3.905 1.00 0.00 C ATOM 1141 SD MET A 76 13.334 5.847 -3.471 1.00 0.00 S ATOM 1142 CE MET A 76 13.321 4.118 -2.942 1.00 0.00 C ATOM 0 H MET A 76 15.951 5.124 -6.859 1.00 0.00 H new ATOM 0 HA MET A 76 16.945 7.683 -6.018 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.762 7.924 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.504 7.552 -5.112 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.358 5.070 -4.514 1.00 0.00 H new ATOM 0 HG3 MET A 76 15.693 5.884 -2.999 1.00 0.00 H new ATOM 0 HE1 MET A 76 12.315 3.842 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.627 3.481 -3.772 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.013 3.987 -2.110 1.00 0.00 H new ATOM 1152 N LYS A 77 18.672 6.597 -5.004 1.00 0.00 N ATOM 1153 CA LYS A 77 19.952 6.045 -4.481 1.00 0.00 C ATOM 1154 C LYS A 77 19.877 4.604 -4.073 1.00 0.00 C ATOM 1155 O LYS A 77 19.599 4.233 -2.957 1.00 0.00 O ATOM 1156 CB LYS A 77 20.366 6.928 -3.307 1.00 0.00 C ATOM 1157 CG LYS A 77 19.377 6.738 -2.157 1.00 0.00 C ATOM 1158 CD LYS A 77 18.920 8.103 -1.650 1.00 0.00 C ATOM 1159 CE LYS A 77 20.136 8.912 -1.191 1.00 0.00 C ATOM 1160 NZ LYS A 77 19.971 10.247 -1.829 1.00 0.00 N ATOM 0 H LYS A 77 18.758 7.558 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 77 20.692 6.059 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 77 21.374 6.670 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.388 7.974 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 77 18.518 6.157 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.845 6.176 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.392 8.637 -2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 77 18.219 7.980 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.168 8.995 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.067 8.438 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.767 10.860 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 19.950 10.137 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.080 10.677 -1.509 1.00 0.00 H new ATOM 1174 N CYS A 78 20.194 3.834 -5.030 1.00 0.00 N ATOM 1175 CA CYS A 78 20.268 2.373 -4.930 1.00 0.00 C ATOM 1176 C CYS A 78 21.750 1.975 -5.021 1.00 0.00 C ATOM 1177 O CYS A 78 22.473 2.561 -5.801 1.00 0.00 O ATOM 1178 CB CYS A 78 19.525 1.986 -6.166 1.00 0.00 C ATOM 1179 SG CYS A 78 18.953 0.271 -6.079 1.00 0.00 S ATOM 0 H CYS A 78 20.426 4.183 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 78 19.872 1.918 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 78 18.671 2.650 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 78 20.170 2.113 -7.035 1.00 0.00 H new ATOM 1184 N PRO A 79 22.189 1.028 -4.232 1.00 0.00 N ATOM 1185 CA PRO A 79 21.320 0.304 -3.277 1.00 0.00 C ATOM 1186 C PRO A 79 20.999 1.120 -2.025 1.00 0.00 C ATOM 1187 O PRO A 79 21.555 2.168 -1.763 1.00 0.00 O ATOM 1188 CB PRO A 79 22.151 -0.915 -2.892 1.00 0.00 C ATOM 1189 CG PRO A 79 23.549 -0.562 -3.158 1.00 0.00 C ATOM 1190 CD PRO A 79 23.573 0.555 -4.169 1.00 0.00 C ATOM 0 HA PRO A 79 20.354 0.070 -3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 79 22.007 -1.167 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 79 21.853 -1.788 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.043 -0.251 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.093 -1.427 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO A 79 24.250 1.352 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 79 23.916 0.202 -5.142 1.00 0.00 H new ATOM 1198 N LEU A 80 20.076 0.608 -1.268 1.00 0.00 N ATOM 1199 CA LEU A 80 19.613 1.255 -0.015 1.00 0.00 C ATOM 1200 C LEU A 80 20.324 0.658 1.210 1.00 0.00 C ATOM 1201 O LEU A 80 20.375 -0.552 1.403 1.00 0.00 O ATOM 1202 CB LEU A 80 18.111 0.947 0.007 1.00 0.00 C ATOM 1203 CG LEU A 80 17.392 1.771 -1.064 1.00 0.00 C ATOM 1204 CD1 LEU A 80 18.328 2.154 -2.225 1.00 0.00 C ATOM 1205 CD2 LEU A 80 16.238 0.950 -1.627 1.00 0.00 C ATOM 0 H LEU A 80 19.604 -0.271 -1.477 1.00 0.00 H new ATOM 0 HA LEU A 80 19.827 2.323 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.947 -0.116 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.699 1.175 0.990 1.00 0.00 H new ATOM 0 HG LEU A 80 17.037 2.688 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.775 2.738 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.159 2.746 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.714 1.249 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.719 1.528 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.626 0.032 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.543 0.702 -0.825 1.00 0.00 H new ATOM 1217 N VAL A 81 20.881 1.520 2.022 1.00 0.00 N ATOM 1218 CA VAL A 81 21.599 1.094 3.231 1.00 0.00 C ATOM 1219 C VAL A 81 20.812 1.397 4.494 1.00 0.00 C ATOM 1220 O VAL A 81 20.123 2.383 4.647 1.00 0.00 O ATOM 1221 CB VAL A 81 22.935 1.811 3.227 1.00 0.00 C ATOM 1222 CG1 VAL A 81 23.946 0.996 4.035 1.00 0.00 C ATOM 1223 CG2 VAL A 81 23.442 1.972 1.791 1.00 0.00 C ATOM 0 H VAL A 81 20.859 2.530 1.880 1.00 0.00 H new ATOM 0 HA VAL A 81 21.740 0.013 3.224 1.00 0.00 H new ATOM 0 HB VAL A 81 22.813 2.798 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 81 24.909 1.507 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 81 23.591 0.890 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 81 24.060 0.009 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.402 2.488 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 81 23.563 0.989 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 81 22.723 2.553 1.214 1.00 0.00 H new ATOM 1233 N LYS A 82 20.878 0.444 5.332 1.00 0.00 N ATOM 1234 CA LYS A 82 20.136 0.390 6.627 1.00 0.00 C ATOM 1235 C LYS A 82 20.122 1.656 7.452 1.00 0.00 C ATOM 1236 O LYS A 82 21.113 2.160 7.942 1.00 0.00 O ATOM 1237 CB LYS A 82 20.759 -0.768 7.372 1.00 0.00 C ATOM 1238 CG LYS A 82 19.930 -1.210 8.565 1.00 0.00 C ATOM 1239 CD LYS A 82 20.442 -0.636 9.774 1.00 0.00 C ATOM 1240 CE LYS A 82 21.589 -1.506 10.118 1.00 0.00 C ATOM 1241 NZ LYS A 82 22.249 -0.888 11.304 1.00 0.00 N ATOM 0 H LYS A 82 21.461 -0.378 5.176 1.00 0.00 H new ATOM 0 HA LYS A 82 19.073 0.263 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.884 -1.609 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.755 -0.483 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.892 -0.910 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.940 -2.297 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.754 0.398 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.691 -0.632 10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.254 -2.518 10.344 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.284 -1.580 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.066 -1.466 11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.570 0.071 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.572 -0.838 12.092 1.00 0.00 H new ATOM 1255 N GLY A 83 18.925 2.119 7.598 1.00 0.00 N ATOM 1256 CA GLY A 83 18.604 3.325 8.381 1.00 0.00 C ATOM 1257 C GLY A 83 18.053 4.353 7.441 1.00 0.00 C ATOM 1258 O GLY A 83 17.425 5.318 7.828 1.00 0.00 O ATOM 0 H GLY A 83 18.106 1.679 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.878 3.092 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.496 3.704 8.880 1.00 0.00 H new ATOM 1262 N GLN A 84 18.289 4.138 6.204 1.00 0.00 N ATOM 1263 CA GLN A 84 17.794 5.073 5.205 1.00 0.00 C ATOM 1264 C GLN A 84 16.316 4.986 5.052 1.00 0.00 C ATOM 1265 O GLN A 84 15.727 3.940 4.834 1.00 0.00 O ATOM 1266 CB GLN A 84 18.480 4.835 3.893 1.00 0.00 C ATOM 1267 CG GLN A 84 19.949 5.213 4.017 1.00 0.00 C ATOM 1268 CD GLN A 84 20.510 5.640 2.639 1.00 0.00 C ATOM 1269 OE1 GLN A 84 19.806 5.479 1.528 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 21.618 6.131 2.568 1.00 0.00 N flip ATOM 0 H GLN A 84 18.812 3.342 5.838 1.00 0.00 H new ATOM 0 HA GLN A 84 18.023 6.082 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 84 18.385 3.788 3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 84 18.006 5.426 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.063 6.027 4.732 1.00 0.00 H new ATOM 0 HG3 GLN A 84 20.518 4.367 4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.173 6.262 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.994 6.413 1.663 1.00 0.00 H new ATOM 1279 N GLN A 85 15.732 6.111 5.155 1.00 0.00 N ATOM 1280 CA GLN A 85 14.255 6.196 4.991 1.00 0.00 C ATOM 1281 C GLN A 85 13.944 5.809 3.563 1.00 0.00 C ATOM 1282 O GLN A 85 14.680 6.102 2.642 1.00 0.00 O ATOM 1283 CB GLN A 85 13.830 7.655 5.297 1.00 0.00 C ATOM 1284 CG GLN A 85 13.890 8.518 4.025 1.00 0.00 C ATOM 1285 CD GLN A 85 14.136 9.996 4.400 1.00 0.00 C ATOM 1286 OE1 GLN A 85 14.091 10.398 5.658 1.00 0.00 O flip ATOM 1287 NE2 GLN A 85 14.375 10.807 3.527 1.00 0.00 N flip ATOM 0 H GLN A 85 16.201 6.996 5.347 1.00 0.00 H new ATOM 0 HA GLN A 85 13.713 5.532 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.818 7.667 5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 85 14.484 8.077 6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.687 8.163 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.957 8.426 3.469 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.413 10.510 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.538 11.784 3.769 1.00 0.00 H new ATOM 1296 N TYR A 86 12.869 5.145 3.388 1.00 0.00 N ATOM 1297 CA TYR A 86 12.472 4.695 2.052 1.00 0.00 C ATOM 1298 C TYR A 86 10.977 4.798 1.961 1.00 0.00 C ATOM 1299 O TYR A 86 10.243 4.309 2.799 1.00 0.00 O ATOM 1300 CB TYR A 86 12.931 3.246 1.964 1.00 0.00 C ATOM 1301 CG TYR A 86 14.435 3.260 1.876 1.00 0.00 C ATOM 1302 CD1 TYR A 86 15.055 4.170 1.014 1.00 0.00 C ATOM 1303 CD2 TYR A 86 15.216 2.396 2.649 1.00 0.00 C ATOM 1304 CE1 TYR A 86 16.430 4.221 0.916 1.00 0.00 C ATOM 1305 CE2 TYR A 86 16.602 2.448 2.547 1.00 0.00 C ATOM 1306 CZ TYR A 86 17.215 3.360 1.682 1.00 0.00 C ATOM 1307 OH TYR A 86 18.589 3.402 1.584 1.00 0.00 O ATOM 0 H TYR A 86 12.225 4.885 4.135 1.00 0.00 H new ATOM 0 HA TYR A 86 12.904 5.283 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.602 2.684 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.499 2.758 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 86 14.451 4.839 0.419 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.746 1.693 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 86 16.898 4.927 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.209 1.780 3.140 1.00 0.00 H new ATOM 0 HH TYR A 86 18.872 4.308 1.341 1.00 0.00 H new ATOM 1317 N ASP A 87 10.527 5.462 0.970 1.00 0.00 N ATOM 1318 CA ASP A 87 9.073 5.641 0.821 1.00 0.00 C ATOM 1319 C ASP A 87 8.604 4.996 -0.462 1.00 0.00 C ATOM 1320 O ASP A 87 9.164 5.169 -1.527 1.00 0.00 O ATOM 1321 CB ASP A 87 8.825 7.159 0.797 1.00 0.00 C ATOM 1322 CG ASP A 87 9.838 7.820 -0.137 1.00 0.00 C ATOM 1323 OD1 ASP A 87 10.480 7.102 -0.886 1.00 0.00 O ATOM 1324 OD2 ASP A 87 9.957 9.032 -0.087 1.00 0.00 O ATOM 0 H ASP A 87 11.099 5.896 0.246 1.00 0.00 H new ATOM 0 HA ASP A 87 8.522 5.173 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.810 7.368 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.917 7.570 1.802 1.00 0.00 H new ATOM 1329 N ILE A 88 7.560 4.260 -0.340 1.00 0.00 N ATOM 1330 CA ILE A 88 6.977 3.572 -1.513 1.00 0.00 C ATOM 1331 C ILE A 88 5.750 4.345 -1.956 1.00 0.00 C ATOM 1332 O ILE A 88 5.162 5.106 -1.210 1.00 0.00 O ATOM 1333 CB ILE A 88 6.609 2.160 -1.057 1.00 0.00 C ATOM 1334 CG1 ILE A 88 6.458 1.264 -2.278 1.00 0.00 C ATOM 1335 CG2 ILE A 88 5.325 2.198 -0.216 1.00 0.00 C ATOM 1336 CD1 ILE A 88 5.445 0.138 -2.044 1.00 0.00 C ATOM 0 H ILE A 88 7.069 4.097 0.539 1.00 0.00 H new ATOM 0 HA ILE A 88 7.668 3.518 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 88 7.400 1.751 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.142 1.864 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.426 0.833 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.070 1.188 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.482 2.828 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.510 2.605 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.370 -0.476 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.774 -0.480 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.470 0.568 -1.816 1.00 0.00 H new ATOM 1348 N LYS A 89 5.385 4.173 -3.174 1.00 0.00 N ATOM 1349 CA LYS A 89 4.220 4.910 -3.714 1.00 0.00 C ATOM 1350 C LYS A 89 3.498 4.073 -4.765 1.00 0.00 C ATOM 1351 O LYS A 89 4.113 3.374 -5.545 1.00 0.00 O ATOM 1352 CB LYS A 89 4.842 6.143 -4.355 1.00 0.00 C ATOM 1353 CG LYS A 89 3.815 6.823 -5.255 1.00 0.00 C ATOM 1354 CD LYS A 89 4.194 8.291 -5.440 1.00 0.00 C ATOM 1355 CE LYS A 89 2.987 9.064 -5.971 1.00 0.00 C ATOM 1356 NZ LYS A 89 3.526 10.397 -6.362 1.00 0.00 N ATOM 0 H LYS A 89 5.845 3.547 -3.835 1.00 0.00 H new ATOM 0 HA LYS A 89 3.481 5.152 -2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.180 6.835 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.720 5.860 -4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.775 6.322 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.821 6.746 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.523 8.715 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.029 8.378 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.536 8.555 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.213 9.159 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.756 10.987 -6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.943 10.861 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.256 10.276 -7.093 1.00 0.00 H new ATOM 1370 N TYR A 90 2.197 4.141 -4.802 1.00 0.00 N ATOM 1371 CA TYR A 90 1.452 3.347 -5.822 1.00 0.00 C ATOM 1372 C TYR A 90 0.139 4.038 -6.179 1.00 0.00 C ATOM 1373 O TYR A 90 -0.774 4.057 -5.379 1.00 0.00 O ATOM 1374 CB TYR A 90 1.158 2.008 -5.161 1.00 0.00 C ATOM 1375 CG TYR A 90 0.197 1.234 -6.054 1.00 0.00 C ATOM 1376 CD1 TYR A 90 -1.187 1.493 -6.020 1.00 0.00 C ATOM 1377 CD2 TYR A 90 0.695 0.275 -6.945 1.00 0.00 C ATOM 1378 CE1 TYR A 90 -2.047 0.792 -6.866 1.00 0.00 C ATOM 1379 CE2 TYR A 90 -0.173 -0.425 -7.786 1.00 0.00 C ATOM 1380 CZ TYR A 90 -1.547 -0.166 -7.747 1.00 0.00 C ATOM 1381 OH TYR A 90 -2.413 -0.855 -8.572 1.00 0.00 O ATOM 0 H TYR A 90 1.621 4.705 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 90 2.028 3.238 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.080 1.445 -5.018 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.721 2.160 -4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.582 2.233 -5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.756 0.076 -6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.108 0.993 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.217 -1.167 -8.467 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.498 -0.382 -9.426 1.00 0.00 H new ATOM 1391 N THR A 91 0.009 4.600 -7.339 1.00 0.00 N ATOM 1392 CA THR A 91 -1.283 5.259 -7.693 1.00 0.00 C ATOM 1393 C THR A 91 -1.777 4.658 -8.992 1.00 0.00 C ATOM 1394 O THR A 91 -1.089 4.638 -9.993 1.00 0.00 O ATOM 1395 CB THR A 91 -0.966 6.755 -7.829 1.00 0.00 C ATOM 1396 OG1 THR A 91 -2.009 7.390 -8.553 1.00 0.00 O ATOM 1397 CG2 THR A 91 0.355 6.936 -8.577 1.00 0.00 C ATOM 0 H THR A 91 0.732 4.636 -8.058 1.00 0.00 H new ATOM 0 HA THR A 91 -2.066 5.116 -6.948 1.00 0.00 H new ATOM 0 HB THR A 91 -0.882 7.200 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.811 8.346 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.577 7.999 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.156 6.446 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.275 6.492 -9.569 1.00 0.00 H new ATOM 1405 N TRP A 92 -2.950 4.113 -8.957 1.00 0.00 N ATOM 1406 CA TRP A 92 -3.486 3.442 -10.157 1.00 0.00 C ATOM 1407 C TRP A 92 -4.995 3.703 -10.279 1.00 0.00 C ATOM 1408 O TRP A 92 -5.769 3.104 -9.555 1.00 0.00 O ATOM 1409 CB TRP A 92 -3.224 1.986 -9.843 1.00 0.00 C ATOM 1410 CG TRP A 92 -2.820 1.266 -11.086 1.00 0.00 C ATOM 1411 CD1 TRP A 92 -1.585 1.307 -11.639 1.00 0.00 C ATOM 1412 CD2 TRP A 92 -3.619 0.393 -11.927 1.00 0.00 C ATOM 1413 NE1 TRP A 92 -1.591 0.541 -12.796 1.00 0.00 N ATOM 1414 CE2 TRP A 92 -2.823 -0.048 -13.010 1.00 0.00 C ATOM 1415 CE3 TRP A 92 -4.949 -0.043 -11.860 1.00 0.00 C ATOM 1416 CZ2 TRP A 92 -3.332 -0.896 -13.994 1.00 0.00 C ATOM 1417 CZ3 TRP A 92 -5.467 -0.900 -12.847 1.00 0.00 C ATOM 1418 CH2 TRP A 92 -4.660 -1.323 -13.912 1.00 0.00 C ATOM 0 H TRP A 92 -3.564 4.104 -8.143 1.00 0.00 H new ATOM 0 HA TRP A 92 -3.042 3.779 -11.094 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.439 1.902 -9.092 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.119 1.529 -9.421 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -0.736 1.846 -11.245 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.786 0.427 -13.412 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.580 0.281 -11.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.705 -1.220 -14.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.492 -1.234 -12.784 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.064 -1.979 -14.669 1.00 0.00 H new ATOM 1429 N ASN A 93 -5.459 4.588 -11.142 1.00 0.00 N ATOM 1430 CA ASN A 93 -6.927 4.809 -11.197 1.00 0.00 C ATOM 1431 C ASN A 93 -7.584 3.613 -11.917 1.00 0.00 C ATOM 1432 O ASN A 93 -6.939 2.901 -12.661 1.00 0.00 O ATOM 1433 CB ASN A 93 -7.103 6.089 -12.017 1.00 0.00 C ATOM 1434 CG ASN A 93 -6.823 5.798 -13.497 1.00 0.00 C ATOM 1435 OD1 ASN A 93 -7.685 5.100 -14.195 1.00 0.00 O flip ATOM 1436 ND2 ASN A 93 -5.811 6.211 -14.027 1.00 0.00 N flip ATOM 0 H ASN A 93 -4.897 5.144 -11.786 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.384 4.898 -10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.116 6.473 -11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.425 6.861 -11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.138 6.755 -13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.634 6.014 -15.012 1.00 0.00 H new ATOM 1443 N VAL A 94 -8.847 3.370 -11.687 1.00 0.00 N ATOM 1444 CA VAL A 94 -9.532 2.218 -12.328 1.00 0.00 C ATOM 1445 C VAL A 94 -11.037 2.521 -12.433 1.00 0.00 C ATOM 1446 O VAL A 94 -11.530 3.510 -11.851 1.00 0.00 O ATOM 1447 CB VAL A 94 -9.220 1.026 -11.389 1.00 0.00 C ATOM 1448 CG1 VAL A 94 -10.490 0.299 -10.911 1.00 0.00 C ATOM 1449 CG2 VAL A 94 -8.334 0.031 -12.135 1.00 0.00 C ATOM 0 H VAL A 94 -9.438 3.931 -11.073 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.201 2.005 -13.345 1.00 0.00 H new ATOM 0 HB VAL A 94 -8.718 1.425 -10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.212 -0.527 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.125 0.997 -10.365 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.034 -0.088 -11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.107 -0.813 -11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.855 -0.325 -13.023 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.406 0.521 -12.431 1.00 0.00 H new ATOM 1459 N PRO A 95 -11.744 1.653 -13.137 1.00 0.00 N ATOM 1460 CA PRO A 95 -13.181 1.841 -13.338 1.00 0.00 C ATOM 1461 C PRO A 95 -13.817 2.370 -12.089 1.00 0.00 C ATOM 1462 O PRO A 95 -13.248 2.327 -11.009 1.00 0.00 O ATOM 1463 CB PRO A 95 -13.650 0.450 -13.777 1.00 0.00 C ATOM 1464 CG PRO A 95 -12.535 -0.436 -13.362 1.00 0.00 C ATOM 1465 CD PRO A 95 -11.345 0.388 -13.733 1.00 0.00 C ATOM 0 HA PRO A 95 -13.455 2.586 -14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.586 0.171 -13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.820 0.404 -14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.563 -0.659 -12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.553 -1.391 -13.887 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.417 -0.000 -13.313 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.202 0.458 -14.811 1.00 0.00 H new ATOM 1473 N LYS A 96 -14.935 2.989 -12.219 1.00 0.00 N ATOM 1474 CA LYS A 96 -15.459 3.616 -11.032 1.00 0.00 C ATOM 1475 C LYS A 96 -16.164 2.687 -10.056 1.00 0.00 C ATOM 1476 O LYS A 96 -16.340 2.997 -8.895 1.00 0.00 O ATOM 1477 CB LYS A 96 -16.343 4.652 -11.501 1.00 0.00 C ATOM 1478 CG LYS A 96 -15.382 5.754 -11.852 1.00 0.00 C ATOM 1479 CD LYS A 96 -14.603 5.366 -13.099 1.00 0.00 C ATOM 1480 CE LYS A 96 -14.294 6.613 -13.932 1.00 0.00 C ATOM 1481 NZ LYS A 96 -15.444 6.741 -14.870 1.00 0.00 N ATOM 0 H LYS A 96 -15.486 3.081 -13.073 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.627 3.997 -10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.926 4.330 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -17.053 4.960 -10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.924 6.684 -12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.697 5.932 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.675 4.867 -12.818 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.180 4.656 -13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.199 7.496 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.354 6.504 -14.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.306 7.575 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.505 5.888 -15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.324 6.850 -14.327 1.00 0.00 H new ATOM 1495 N ILE A 97 -16.610 1.574 -10.534 1.00 0.00 N ATOM 1496 CA ILE A 97 -17.358 0.636 -9.664 1.00 0.00 C ATOM 1497 C ILE A 97 -16.954 -0.834 -9.847 1.00 0.00 C ATOM 1498 O ILE A 97 -17.786 -1.718 -9.800 1.00 0.00 O ATOM 1499 CB ILE A 97 -18.794 0.859 -10.013 1.00 0.00 C ATOM 1500 CG1 ILE A 97 -19.489 0.787 -8.722 1.00 0.00 C ATOM 1501 CG2 ILE A 97 -19.341 -0.136 -11.052 1.00 0.00 C ATOM 1502 CD1 ILE A 97 -20.924 0.270 -8.846 1.00 0.00 C ATOM 0 H ILE A 97 -16.490 1.267 -11.499 1.00 0.00 H new ATOM 0 HA ILE A 97 -17.142 0.832 -8.614 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.944 1.818 -10.510 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.930 0.135 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -19.503 1.777 -8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.388 0.088 -11.255 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -18.767 -0.051 -11.975 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -19.256 -1.151 -10.664 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -21.386 0.239 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -21.496 0.935 -9.494 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -20.914 -0.733 -9.273 1.00 0.00 H new ATOM 1514 N ALA A 98 -15.690 -1.121 -10.025 1.00 0.00 N ATOM 1515 CA ALA A 98 -15.286 -2.547 -10.173 1.00 0.00 C ATOM 1516 C ALA A 98 -15.580 -3.279 -8.852 1.00 0.00 C ATOM 1517 O ALA A 98 -16.539 -4.020 -8.772 1.00 0.00 O ATOM 1518 CB ALA A 98 -13.790 -2.542 -10.518 1.00 0.00 C ATOM 0 H ALA A 98 -14.932 -0.440 -10.073 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.835 -3.067 -10.959 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -13.441 -3.568 -10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.633 -1.994 -11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.233 -2.061 -9.714 1.00 0.00 H new ATOM 1524 N PRO A 99 -14.779 -3.026 -7.838 1.00 0.00 N ATOM 1525 CA PRO A 99 -15.021 -3.652 -6.515 1.00 0.00 C ATOM 1526 C PRO A 99 -16.221 -3.074 -5.909 1.00 0.00 C ATOM 1527 O PRO A 99 -16.824 -2.137 -6.392 1.00 0.00 O ATOM 1528 CB PRO A 99 -13.739 -3.393 -5.732 1.00 0.00 C ATOM 1529 CG PRO A 99 -13.158 -2.168 -6.363 1.00 0.00 C ATOM 1530 CD PRO A 99 -13.589 -2.163 -7.810 1.00 0.00 C ATOM 0 HA PRO A 99 -15.221 -4.723 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -13.945 -3.235 -4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -13.054 -4.238 -5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -13.509 -1.270 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.071 -2.174 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.821 -1.155 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.803 -2.548 -8.460 1.00 0.00 H new ATOM 1538 N LYS A 100 -16.691 -3.793 -4.964 1.00 0.00 N ATOM 1539 CA LYS A 100 -17.990 -3.471 -4.447 1.00 0.00 C ATOM 1540 C LYS A 100 -17.878 -2.811 -3.090 1.00 0.00 C ATOM 1541 O LYS A 100 -17.704 -3.486 -2.096 1.00 0.00 O ATOM 1542 CB LYS A 100 -18.692 -4.832 -4.389 1.00 0.00 C ATOM 1543 CG LYS A 100 -18.116 -5.801 -5.425 1.00 0.00 C ATOM 1544 CD LYS A 100 -17.931 -5.057 -6.746 1.00 0.00 C ATOM 1545 CE LYS A 100 -19.093 -5.451 -7.609 1.00 0.00 C ATOM 1546 NZ LYS A 100 -18.601 -5.375 -9.012 1.00 0.00 N ATOM 0 H LYS A 100 -16.223 -4.590 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 100 -18.542 -2.755 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -18.584 -5.257 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -19.760 -4.700 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.162 -6.199 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.786 -6.650 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.911 -3.979 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.986 -5.327 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.435 -6.458 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.939 -4.782 -7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.383 -5.099 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.841 -4.668 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.235 -6.304 -9.302 1.00 0.00 H new ATOM 1560 N SER A 101 -17.962 -1.508 -3.021 1.00 0.00 N ATOM 1561 CA SER A 101 -17.843 -0.870 -1.669 1.00 0.00 C ATOM 1562 C SER A 101 -18.724 -1.623 -0.707 1.00 0.00 C ATOM 1563 O SER A 101 -19.926 -1.467 -0.632 1.00 0.00 O ATOM 1564 CB SER A 101 -18.234 0.595 -1.791 1.00 0.00 C ATOM 1565 OG SER A 101 -19.454 0.711 -2.512 1.00 0.00 O ATOM 0 H SER A 101 -18.103 -0.875 -3.808 1.00 0.00 H new ATOM 0 HA SER A 101 -16.822 -0.912 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.344 1.035 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.446 1.150 -2.300 1.00 0.00 H new ATOM 0 HG SER A 101 -19.351 1.376 -3.225 1.00 0.00 H new ATOM 1571 N GLU A 102 -18.070 -2.456 0.015 1.00 0.00 N ATOM 1572 CA GLU A 102 -18.748 -3.324 1.036 1.00 0.00 C ATOM 1573 C GLU A 102 -17.778 -3.872 1.963 1.00 0.00 C ATOM 1574 O GLU A 102 -18.010 -4.071 3.138 1.00 0.00 O ATOM 1575 CB GLU A 102 -19.180 -4.669 0.409 1.00 0.00 C ATOM 1576 CG GLU A 102 -20.234 -4.453 -0.680 1.00 0.00 C ATOM 1577 CD GLU A 102 -20.448 -5.758 -1.451 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -19.715 -6.700 -1.197 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -21.340 -5.792 -2.283 1.00 0.00 O ATOM 0 H GLU A 102 -17.061 -2.591 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 102 -19.535 -2.696 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -18.311 -5.172 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.581 -5.323 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -21.172 -4.125 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.912 -3.665 -1.361 1.00 0.00 H new ATOM 1586 N ASN A 103 -16.819 -4.435 1.328 1.00 0.00 N ATOM 1587 CA ASN A 103 -16.003 -5.316 2.069 1.00 0.00 C ATOM 1588 C ASN A 103 -14.659 -5.497 1.415 1.00 0.00 C ATOM 1589 O ASN A 103 -14.363 -6.504 0.814 1.00 0.00 O ATOM 1590 CB ASN A 103 -16.957 -6.469 1.864 1.00 0.00 C ATOM 1591 CG ASN A 103 -16.360 -7.770 2.404 1.00 0.00 C ATOM 1592 OD1 ASN A 103 -15.238 -7.745 3.088 1.00 0.00 O flip ATOM 1593 ND2 ASN A 103 -16.920 -8.830 2.207 1.00 0.00 N flip ATOM 0 H ASN A 103 -16.587 -4.311 0.343 1.00 0.00 H new ATOM 0 HA ASN A 103 -15.707 -5.074 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -17.901 -6.260 2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -17.180 -6.579 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -17.791 -8.856 1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -16.519 -9.694 2.572 1.00 0.00 H new ATOM 1600 N VAL A 104 -13.855 -4.512 1.539 1.00 0.00 N ATOM 1601 CA VAL A 104 -12.506 -4.579 0.923 1.00 0.00 C ATOM 1602 C VAL A 104 -11.434 -3.928 1.815 1.00 0.00 C ATOM 1603 O VAL A 104 -11.654 -2.902 2.429 1.00 0.00 O ATOM 1604 CB VAL A 104 -12.622 -3.837 -0.394 1.00 0.00 C ATOM 1605 CG1 VAL A 104 -11.382 -4.052 -1.257 1.00 0.00 C ATOM 1606 CG2 VAL A 104 -13.909 -4.200 -1.163 1.00 0.00 C ATOM 0 H VAL A 104 -14.062 -3.649 2.042 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.194 -5.614 0.787 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.689 -2.776 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.493 -3.508 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.502 -3.686 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.264 -5.115 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.944 -3.642 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.915 -5.269 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.779 -3.947 -0.557 1.00 0.00 H new ATOM 1616 N VAL A 105 -10.267 -4.524 1.868 1.00 0.00 N ATOM 1617 CA VAL A 105 -9.144 -3.982 2.677 1.00 0.00 C ATOM 1618 C VAL A 105 -7.854 -4.291 1.925 1.00 0.00 C ATOM 1619 O VAL A 105 -7.623 -5.394 1.475 1.00 0.00 O ATOM 1620 CB VAL A 105 -9.242 -4.713 4.031 1.00 0.00 C ATOM 1621 CG1 VAL A 105 -7.896 -5.332 4.426 1.00 0.00 C ATOM 1622 CG2 VAL A 105 -9.667 -3.712 5.109 1.00 0.00 C ATOM 0 H VAL A 105 -10.047 -5.386 1.369 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.172 -2.905 2.842 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.976 -5.514 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.997 -5.840 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.588 -6.050 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.145 -4.547 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.739 -4.221 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.928 -2.913 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.637 -3.288 4.850 1.00 0.00 H new ATOM 1632 N VAL A 106 -7.028 -3.305 1.773 1.00 0.00 N ATOM 1633 CA VAL A 106 -5.759 -3.520 1.026 1.00 0.00 C ATOM 1634 C VAL A 106 -4.578 -3.622 1.953 1.00 0.00 C ATOM 1635 O VAL A 106 -4.459 -2.917 2.926 1.00 0.00 O ATOM 1636 CB VAL A 106 -5.648 -2.347 0.058 1.00 0.00 C ATOM 1637 CG1 VAL A 106 -4.798 -1.215 0.651 1.00 0.00 C ATOM 1638 CG2 VAL A 106 -5.015 -2.863 -1.233 1.00 0.00 C ATOM 0 H VAL A 106 -7.171 -2.360 2.130 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.764 -4.466 0.485 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.639 -1.938 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.737 -0.393 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.257 -0.861 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.795 -1.586 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.923 -2.044 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.027 -3.269 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.643 -3.645 -1.659 1.00 0.00 H new ATOM 1648 N THR A 107 -3.705 -4.500 1.621 1.00 0.00 N ATOM 1649 CA THR A 107 -2.473 -4.715 2.427 1.00 0.00 C ATOM 1650 C THR A 107 -1.312 -4.746 1.450 1.00 0.00 C ATOM 1651 O THR A 107 -1.216 -5.652 0.640 1.00 0.00 O ATOM 1652 CB THR A 107 -2.655 -6.055 3.065 1.00 0.00 C ATOM 1653 OG1 THR A 107 -4.040 -6.346 3.200 1.00 0.00 O ATOM 1654 CG2 THR A 107 -1.975 -6.030 4.434 1.00 0.00 C ATOM 0 H THR A 107 -3.785 -5.102 0.802 1.00 0.00 H new ATOM 0 HA THR A 107 -2.290 -3.949 3.180 1.00 0.00 H new ATOM 0 HB THR A 107 -2.207 -6.832 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.150 -7.226 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.096 -6.999 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.913 -5.816 4.309 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.430 -5.257 5.052 1.00 0.00 H new ATOM 1662 N VAL A 108 -0.455 -3.775 1.444 1.00 0.00 N ATOM 1663 CA VAL A 108 0.639 -3.817 0.437 1.00 0.00 C ATOM 1664 C VAL A 108 1.984 -3.693 1.150 1.00 0.00 C ATOM 1665 O VAL A 108 2.148 -2.969 2.105 1.00 0.00 O ATOM 1666 CB VAL A 108 0.336 -2.648 -0.536 1.00 0.00 C ATOM 1667 CG1 VAL A 108 1.105 -2.766 -1.851 1.00 0.00 C ATOM 1668 CG2 VAL A 108 -1.181 -2.543 -0.814 1.00 0.00 C ATOM 0 H VAL A 108 -0.458 -2.972 2.073 1.00 0.00 H new ATOM 0 HA VAL A 108 0.693 -4.751 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 108 0.674 -1.737 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.856 -1.923 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.176 -2.764 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.832 -3.696 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.369 -1.716 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.534 -3.472 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.711 -2.367 0.122 1.00 0.00 H new ATOM 1678 N LYS A 109 2.938 -4.443 0.671 1.00 0.00 N ATOM 1679 CA LYS A 109 4.295 -4.434 1.299 1.00 0.00 C ATOM 1680 C LYS A 109 5.401 -4.255 0.268 1.00 0.00 C ATOM 1681 O LYS A 109 5.338 -4.731 -0.844 1.00 0.00 O ATOM 1682 CB LYS A 109 4.435 -5.749 2.054 1.00 0.00 C ATOM 1683 CG LYS A 109 5.587 -6.544 1.611 1.00 0.00 C ATOM 1684 CD LYS A 109 5.258 -7.368 0.365 1.00 0.00 C ATOM 1685 CE LYS A 109 6.136 -8.623 0.347 1.00 0.00 C ATOM 1686 NZ LYS A 109 5.341 -9.638 -0.398 1.00 0.00 N ATOM 0 H LYS A 109 2.838 -5.065 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 109 4.396 -3.586 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.532 -5.541 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.525 -6.335 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.426 -5.882 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.901 -7.209 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.204 -7.646 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.430 -6.776 -0.534 1.00 0.00 H new ATOM 0 HE2 LYS A 109 7.090 -8.430 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.361 -8.962 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.877 -10.527 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.442 -9.806 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.148 -9.291 -1.359 1.00 0.00 H new ATOM 1700 N VAL A 110 6.437 -3.626 0.685 1.00 0.00 N ATOM 1701 CA VAL A 110 7.621 -3.434 -0.162 1.00 0.00 C ATOM 1702 C VAL A 110 8.599 -4.558 0.217 1.00 0.00 C ATOM 1703 O VAL A 110 8.937 -4.705 1.391 1.00 0.00 O ATOM 1704 CB VAL A 110 8.185 -2.067 0.222 1.00 0.00 C ATOM 1705 CG1 VAL A 110 9.692 -1.965 -0.090 1.00 0.00 C ATOM 1706 CG2 VAL A 110 7.446 -0.990 -0.552 1.00 0.00 C ATOM 0 H VAL A 110 6.517 -3.219 1.617 1.00 0.00 H new ATOM 0 HA VAL A 110 7.423 -3.467 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 110 8.050 -1.934 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.057 -0.979 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.232 -2.729 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.854 -2.115 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.843 -0.011 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.579 -1.154 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.384 -1.030 -0.308 1.00 0.00 H new ATOM 1716 N MET A 111 9.048 -5.340 -0.758 1.00 0.00 N ATOM 1717 CA MET A 111 10.012 -6.461 -0.482 1.00 0.00 C ATOM 1718 C MET A 111 11.374 -6.019 -0.977 1.00 0.00 C ATOM 1719 O MET A 111 11.540 -5.629 -2.114 1.00 0.00 O ATOM 1720 CB MET A 111 9.455 -7.687 -1.244 1.00 0.00 C ATOM 1721 CG MET A 111 10.285 -8.028 -2.498 1.00 0.00 C ATOM 1722 SD MET A 111 9.341 -9.165 -3.544 1.00 0.00 S ATOM 1723 CE MET A 111 9.666 -10.673 -2.599 1.00 0.00 C ATOM 0 H MET A 111 8.781 -5.242 -1.738 1.00 0.00 H new ATOM 0 HA MET A 111 10.119 -6.718 0.572 1.00 0.00 H new ATOM 0 HB2 MET A 111 9.439 -8.549 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 111 8.423 -7.491 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 111 10.522 -7.119 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 111 11.233 -8.482 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 111 9.306 -11.537 -3.157 1.00 0.00 H new ATOM 0 HE2 MET A 111 10.738 -10.772 -2.429 1.00 0.00 H new ATOM 0 HE3 MET A 111 9.150 -10.620 -1.640 1.00 0.00 H new ATOM 1733 N GLY A 112 12.321 -5.983 -0.113 1.00 0.00 N ATOM 1734 CA GLY A 112 13.659 -5.455 -0.524 1.00 0.00 C ATOM 1735 C GLY A 112 14.535 -6.470 -1.290 1.00 0.00 C ATOM 1736 O GLY A 112 14.090 -7.183 -2.167 1.00 0.00 O ATOM 0 H GLY A 112 12.246 -6.289 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.513 -4.574 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.196 -5.128 0.366 1.00 0.00 H new ATOM 1740 N ASP A 113 15.806 -6.463 -0.965 1.00 0.00 N ATOM 1741 CA ASP A 113 16.834 -7.327 -1.634 1.00 0.00 C ATOM 1742 C ASP A 113 16.783 -8.752 -1.142 1.00 0.00 C ATOM 1743 O ASP A 113 17.448 -9.637 -1.641 1.00 0.00 O ATOM 1744 CB ASP A 113 18.155 -6.673 -1.250 1.00 0.00 C ATOM 1745 CG ASP A 113 18.483 -6.992 0.210 1.00 0.00 C ATOM 1746 OD1 ASP A 113 17.570 -7.342 0.939 1.00 0.00 O ATOM 1747 OD2 ASP A 113 19.643 -6.882 0.574 1.00 0.00 O ATOM 0 H ASP A 113 16.189 -5.867 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 113 16.678 -7.391 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.953 -7.034 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 113 18.092 -5.594 -1.391 1.00 0.00 H new ATOM 1752 N ASP A 114 15.982 -8.963 -0.185 1.00 0.00 N ATOM 1753 CA ASP A 114 15.821 -10.296 0.367 1.00 0.00 C ATOM 1754 C ASP A 114 14.341 -10.660 0.435 1.00 0.00 C ATOM 1755 O ASP A 114 13.972 -11.770 0.763 1.00 0.00 O ATOM 1756 CB ASP A 114 16.472 -10.286 1.741 1.00 0.00 C ATOM 1757 CG ASP A 114 16.070 -9.021 2.499 1.00 0.00 C ATOM 1758 OD1 ASP A 114 15.144 -8.359 2.058 1.00 0.00 O ATOM 1759 OD2 ASP A 114 16.694 -8.736 3.507 1.00 0.00 O ATOM 0 H ASP A 114 15.409 -8.244 0.257 1.00 0.00 H new ATOM 0 HA ASP A 114 16.296 -11.052 -0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 114 16.168 -11.169 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.556 -10.330 1.639 1.00 0.00 H new ATOM 1764 N GLY A 115 13.492 -9.729 0.110 1.00 0.00 N ATOM 1765 CA GLY A 115 12.056 -9.977 0.123 1.00 0.00 C ATOM 1766 C GLY A 115 11.514 -9.684 1.456 1.00 0.00 C ATOM 1767 O GLY A 115 11.314 -10.513 2.321 1.00 0.00 O ATOM 0 H GLY A 115 13.757 -8.785 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.563 -9.356 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 115 11.854 -11.015 -0.142 1.00 0.00 H new ATOM 1771 N VAL A 116 11.253 -8.467 1.515 1.00 0.00 N ATOM 1772 CA VAL A 116 10.634 -7.787 2.701 1.00 0.00 C ATOM 1773 C VAL A 116 11.215 -6.383 2.915 1.00 0.00 C ATOM 1774 O VAL A 116 12.379 -6.135 2.671 1.00 0.00 O ATOM 1775 CB VAL A 116 10.910 -8.644 3.925 1.00 0.00 C ATOM 1776 CG1 VAL A 116 12.409 -8.909 4.013 1.00 0.00 C ATOM 1777 CG2 VAL A 116 10.429 -7.885 5.160 1.00 0.00 C ATOM 0 H VAL A 116 11.445 -7.828 0.744 1.00 0.00 H new ATOM 0 HA VAL A 116 9.563 -7.675 2.531 1.00 0.00 H new ATOM 0 HB VAL A 116 10.387 -9.598 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.619 -9.524 4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.739 -9.431 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.942 -7.962 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 116 10.618 -8.483 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.965 -6.939 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.360 -7.690 5.074 1.00 0.00 H new ATOM 1787 N LEU A 117 10.403 -5.466 3.376 1.00 0.00 N ATOM 1788 CA LEU A 117 10.890 -4.077 3.619 1.00 0.00 C ATOM 1789 C LEU A 117 9.940 -3.321 4.543 1.00 0.00 C ATOM 1790 O LEU A 117 10.322 -2.862 5.599 1.00 0.00 O ATOM 1791 CB LEU A 117 10.970 -3.438 2.249 1.00 0.00 C ATOM 1792 CG LEU A 117 12.113 -2.417 2.213 1.00 0.00 C ATOM 1793 CD1 LEU A 117 12.053 -1.525 3.454 1.00 0.00 C ATOM 1794 CD2 LEU A 117 13.460 -3.146 2.179 1.00 0.00 C ATOM 0 H LEU A 117 9.419 -5.622 3.595 1.00 0.00 H new ATOM 0 HA LEU A 117 11.859 -4.062 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.131 -4.204 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.026 -2.948 2.011 1.00 0.00 H new ATOM 0 HG LEU A 117 12.009 -1.802 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.868 -0.802 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.100 -0.997 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.148 -2.140 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.269 -2.415 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.560 -3.767 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.511 -3.775 1.290 1.00 0.00 H new ATOM 1806 N ALA A 118 8.708 -3.195 4.160 1.00 0.00 N ATOM 1807 CA ALA A 118 7.721 -2.459 5.041 1.00 0.00 C ATOM 1808 C ALA A 118 6.324 -2.703 4.530 1.00 0.00 C ATOM 1809 O ALA A 118 6.063 -2.598 3.364 1.00 0.00 O ATOM 1810 CB ALA A 118 8.094 -0.979 4.931 1.00 0.00 C ATOM 0 H ALA A 118 8.327 -3.559 3.287 1.00 0.00 H new ATOM 0 HA ALA A 118 7.753 -2.792 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.417 -0.386 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.118 -0.835 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.013 -0.660 3.892 1.00 0.00 H new ATOM 1816 N CYS A 119 5.421 -3.048 5.369 1.00 0.00 N ATOM 1817 CA CYS A 119 4.051 -3.337 4.830 1.00 0.00 C ATOM 1818 C CYS A 119 2.941 -2.697 5.627 1.00 0.00 C ATOM 1819 O CYS A 119 2.941 -2.662 6.842 1.00 0.00 O ATOM 1820 CB CYS A 119 3.933 -4.859 4.794 1.00 0.00 C ATOM 1821 SG CYS A 119 3.265 -5.494 6.324 1.00 0.00 S ATOM 0 H CYS A 119 5.542 -3.147 6.377 1.00 0.00 H new ATOM 0 HA CYS A 119 3.936 -2.901 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.293 -5.157 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 119 4.914 -5.298 4.613 1.00 0.00 H new ATOM 1826 N ALA A 120 1.992 -2.176 4.912 1.00 0.00 N ATOM 1827 CA ALA A 120 0.845 -1.503 5.585 1.00 0.00 C ATOM 1828 C ALA A 120 -0.476 -1.738 4.851 1.00 0.00 C ATOM 1829 O ALA A 120 -0.576 -1.696 3.632 1.00 0.00 O ATOM 1830 CB ALA A 120 1.203 -0.008 5.603 1.00 0.00 C ATOM 0 H ALA A 120 1.956 -2.184 3.893 1.00 0.00 H new ATOM 0 HA ALA A 120 0.694 -1.903 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.402 0.552 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.131 0.137 6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.330 0.348 4.581 1.00 0.00 H new ATOM 1836 N ILE A 121 -1.471 -2.032 5.629 1.00 0.00 N ATOM 1837 CA ILE A 121 -2.833 -2.322 5.127 1.00 0.00 C ATOM 1838 C ILE A 121 -3.836 -1.209 5.511 1.00 0.00 C ATOM 1839 O ILE A 121 -3.871 -0.764 6.641 1.00 0.00 O ATOM 1840 CB ILE A 121 -3.157 -3.589 5.841 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -4.264 -4.277 5.243 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -3.421 -3.355 7.309 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -5.568 -3.500 5.418 1.00 0.00 C ATOM 0 H ILE A 121 -1.389 -2.085 6.644 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.888 -2.388 4.040 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.276 -4.224 5.749 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -4.069 -4.428 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.365 -5.265 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.653 -4.304 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.536 -2.918 7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.264 -2.674 7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.385 -4.051 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.775 -3.372 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.475 -2.522 4.946 1.00 0.00 H new ATOM 1855 N ALA A 122 -4.662 -0.771 4.590 1.00 0.00 N ATOM 1856 CA ALA A 122 -5.668 0.285 4.905 1.00 0.00 C ATOM 1857 C ALA A 122 -7.062 -0.166 4.372 1.00 0.00 C ATOM 1858 O ALA A 122 -7.198 -1.258 3.843 1.00 0.00 O ATOM 1859 CB ALA A 122 -5.167 1.513 4.139 1.00 0.00 C ATOM 0 H ALA A 122 -4.680 -1.105 3.626 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.777 0.483 5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.845 2.349 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.170 1.778 4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -5.129 1.287 3.073 1.00 0.00 H new ATOM 1865 N THR A 123 -8.096 0.658 4.484 1.00 0.00 N ATOM 1866 CA THR A 123 -9.444 0.255 3.971 1.00 0.00 C ATOM 1867 C THR A 123 -9.784 1.010 2.677 1.00 0.00 C ATOM 1868 O THR A 123 -10.611 0.576 1.901 1.00 0.00 O ATOM 1869 CB THR A 123 -10.407 0.631 5.061 1.00 0.00 C ATOM 1870 OG1 THR A 123 -10.074 1.905 5.598 1.00 0.00 O ATOM 1871 CG2 THR A 123 -10.331 -0.439 6.139 1.00 0.00 C ATOM 0 H THR A 123 -8.055 1.585 4.908 1.00 0.00 H new ATOM 0 HA THR A 123 -9.484 -0.808 3.734 1.00 0.00 H new ATOM 0 HB THR A 123 -11.421 0.695 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.710 2.138 6.306 1.00 0.00 H new ATOM 0 HG21 THR A 123 -11.021 -0.192 6.946 1.00 0.00 H new ATOM 0 HG22 THR A 123 -10.602 -1.405 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 123 -9.316 -0.488 6.532 1.00 0.00 H new ATOM 1879 N HIS A 124 -9.148 2.141 2.454 1.00 0.00 N ATOM 1880 CA HIS A 124 -9.408 2.955 1.205 1.00 0.00 C ATOM 1881 C HIS A 124 -10.817 3.552 1.168 1.00 0.00 C ATOM 1882 O HIS A 124 -10.996 4.740 1.348 1.00 0.00 O ATOM 1883 CB HIS A 124 -9.197 2.020 0.042 1.00 0.00 C ATOM 1884 CG HIS A 124 -7.730 1.900 -0.247 1.00 0.00 C ATOM 1885 ND1 HIS A 124 -6.766 2.124 0.722 1.00 0.00 N ATOM 1886 CD2 HIS A 124 -7.045 1.573 -1.389 1.00 0.00 C ATOM 1887 CE1 HIS A 124 -5.565 1.930 0.151 1.00 0.00 C ATOM 1888 NE2 HIS A 124 -5.678 1.592 -1.136 1.00 0.00 N ATOM 0 H HIS A 124 -8.454 2.542 3.085 1.00 0.00 H new ATOM 0 HA HIS A 124 -8.731 3.809 1.172 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -9.614 1.039 0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -9.722 2.393 -0.837 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -6.937 2.388 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -7.498 1.337 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -4.623 2.035 0.670 1.00 0.00 H new ATOM 1896 N ALA A 125 -11.814 2.753 0.910 1.00 0.00 N ATOM 1897 CA ALA A 125 -13.203 3.309 0.834 1.00 0.00 C ATOM 1898 C ALA A 125 -14.136 2.619 1.843 1.00 0.00 C ATOM 1899 O ALA A 125 -13.992 1.450 2.140 1.00 0.00 O ATOM 1900 CB ALA A 125 -13.652 3.031 -0.602 1.00 0.00 C ATOM 0 H ALA A 125 -11.734 1.749 0.749 1.00 0.00 H new ATOM 0 HA ALA A 125 -13.232 4.371 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.665 3.408 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.977 3.530 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -13.635 1.957 -0.787 1.00 0.00 H new ATOM 1906 N LYS A 126 -15.092 3.344 2.374 1.00 0.00 N ATOM 1907 CA LYS A 126 -16.036 2.746 3.365 1.00 0.00 C ATOM 1908 C LYS A 126 -17.493 3.107 3.006 1.00 0.00 C ATOM 1909 O LYS A 126 -18.028 4.072 3.517 1.00 0.00 O ATOM 1910 CB LYS A 126 -15.653 3.392 4.697 1.00 0.00 C ATOM 1911 CG LYS A 126 -14.343 2.784 5.199 1.00 0.00 C ATOM 1912 CD LYS A 126 -14.634 1.443 5.875 1.00 0.00 C ATOM 1913 CE LYS A 126 -15.270 1.687 7.246 1.00 0.00 C ATOM 1914 NZ LYS A 126 -14.293 2.541 7.980 1.00 0.00 N ATOM 0 H LYS A 126 -15.258 4.328 2.161 1.00 0.00 H new ATOM 0 HA LYS A 126 -15.973 1.658 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -15.543 4.469 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -16.444 3.235 5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.652 2.643 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -13.860 3.462 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -15.303 0.848 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -13.712 0.873 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -16.235 2.185 7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -15.446 0.749 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -14.324 2.311 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -13.335 2.366 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.537 3.543 7.845 1.00 0.00 H new ATOM 1928 N ILE A 127 -18.156 2.359 2.153 1.00 0.00 N ATOM 1929 CA ILE A 127 -19.573 2.717 1.825 1.00 0.00 C ATOM 1930 C ILE A 127 -20.549 2.025 2.769 1.00 0.00 C ATOM 1931 O ILE A 127 -20.624 0.816 2.836 1.00 0.00 O ATOM 1932 CB ILE A 127 -19.822 2.320 0.396 1.00 0.00 C ATOM 1933 CG1 ILE A 127 -20.810 3.325 -0.057 1.00 0.00 C ATOM 1934 CG2 ILE A 127 -20.368 0.886 0.275 1.00 0.00 C ATOM 1935 CD1 ILE A 127 -21.528 2.857 -1.325 1.00 0.00 C ATOM 0 H ILE A 127 -17.787 1.534 1.680 1.00 0.00 H new ATOM 0 HA ILE A 127 -19.730 3.788 1.950 1.00 0.00 H new ATOM 0 HB ILE A 127 -18.912 2.308 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -21.539 3.504 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -20.308 4.273 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -20.532 0.646 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -19.648 0.186 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -21.311 0.809 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -22.248 3.614 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -20.799 2.702 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -22.050 1.921 -1.124 1.00 0.00 H new ATOM 1947 N ARG A 128 -21.304 2.801 3.484 1.00 0.00 N ATOM 1948 CA ARG A 128 -22.306 2.235 4.425 1.00 0.00 C ATOM 1949 C ARG A 128 -23.244 3.327 4.955 1.00 0.00 C ATOM 1950 O ARG A 128 -22.856 4.472 5.069 1.00 0.00 O ATOM 1951 CB ARG A 128 -21.571 1.597 5.531 1.00 0.00 C ATOM 1952 CG ARG A 128 -22.482 0.464 5.913 1.00 0.00 C ATOM 1953 CD ARG A 128 -22.252 -0.714 4.978 1.00 0.00 C ATOM 1954 NE ARG A 128 -21.332 -1.627 5.713 1.00 0.00 N ATOM 1955 CZ ARG A 128 -21.610 -2.899 5.806 1.00 0.00 C ATOM 1956 NH1 ARG A 128 -21.529 -3.662 4.751 1.00 0.00 N ATOM 1957 NH2 ARG A 128 -21.968 -3.406 6.954 1.00 0.00 N ATOM 0 H ARG A 128 -21.270 3.820 3.457 1.00 0.00 H new ATOM 0 HA ARG A 128 -22.929 1.503 3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -20.590 1.241 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -21.408 2.285 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -22.294 0.165 6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -23.522 0.786 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -23.190 -1.213 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.812 -0.388 4.036 1.00 0.00 H new ATOM 0 HE ARG A 128 -20.484 -1.258 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.249 -3.265 3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -21.746 -4.656 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -22.031 -2.808 7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -22.185 -4.400 7.027 1.00 0.00 H new ATOM 1971 N ASP A 129 -24.468 2.987 5.291 1.00 0.00 N ATOM 1972 CA ASP A 129 -25.422 4.004 5.820 1.00 0.00 C ATOM 1973 C ASP A 129 -25.228 5.352 5.116 1.00 0.00 C ATOM 1974 O ASP A 129 -24.749 6.270 5.760 1.00 0.00 O ATOM 1975 CB ASP A 129 -25.088 4.123 7.312 1.00 0.00 C ATOM 1976 CG ASP A 129 -24.778 2.740 7.893 1.00 0.00 C ATOM 1977 OD1 ASP A 129 -25.565 1.835 7.674 1.00 0.00 O ATOM 1978 OD2 ASP A 129 -23.756 2.613 8.548 1.00 0.00 O ATOM 1979 OXT ASP A 129 -25.562 5.441 3.946 1.00 0.00 O ATOM 0 H ASP A 129 -24.845 2.042 5.219 1.00 0.00 H new ATOM 0 HA ASP A 129 -26.459 3.714 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -24.232 4.784 7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -25.926 4.571 7.846 1.00 0.00 H new TER 1984 ASP A 129