USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0903 USER MOD Single : A 5 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.5) USER MOD Single : A 6 HIS : no HD1:sc= 0.219 K(o=0.22,f=-3.1!) USER MOD Single : A 7 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.15) USER MOD Single : A 8 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-4.8!) USER MOD Single : A 9 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.047) USER MOD Single : A 10 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.5) USER MOD Single : A 11 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.74) USER MOD Single : A 12 HIS : no HD1:sc=-0.00746 K(o=-0.0075,f=-2.7!) USER MOD Single : A 14 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.3) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 20 SER OG : rot 45:sc= 0.214 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0618 (180deg=-0.389) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0499 USER MOD Single : A 34 THR OG1 : rot -150:sc= -1.77! USER MOD Single : A 35 SER OG : rot 56:sc= 0.984 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -91:sc= -0.246 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.03! C(o=-2!,f=-4.7!) USER MOD Single : A 50 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.6!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 65 THR OG1 : rot -42:sc= 1.02 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-6.6!) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.659 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00936 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-3.8!) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 40:sc= -0.608 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.238 K(o=-0.24,f=-1.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 42:sc= 0.608 USER MOD Single : A 112 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.542 -30.087 20.470 1.00 0.00 N ATOM 2 CA MET A 1 1.956 -28.773 20.096 1.00 0.00 C ATOM 3 C MET A 1 2.454 -27.665 21.017 1.00 0.00 C ATOM 4 O MET A 1 1.976 -27.517 22.143 1.00 0.00 O ATOM 5 CB MET A 1 0.430 -28.880 20.170 1.00 0.00 C ATOM 6 CG MET A 1 -0.238 -28.967 18.808 1.00 0.00 C ATOM 7 SD MET A 1 -0.363 -27.364 17.991 1.00 0.00 S ATOM 8 CE MET A 1 -1.770 -27.639 16.918 1.00 0.00 C ATOM 0 H1 MET A 1 2.185 -30.822 19.826 1.00 0.00 H new ATOM 0 H2 MET A 1 3.578 -30.038 20.399 1.00 0.00 H new ATOM 0 H3 MET A 1 2.273 -30.322 21.447 1.00 0.00 H new ATOM 0 HA MET A 1 2.265 -28.518 19.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.163 -29.761 20.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.038 -28.014 20.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.327 -29.650 18.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.236 -29.390 18.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.973 -26.734 16.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.552 -28.460 16.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.643 -27.890 17.520 1.00 0.00 H new ATOM 20 N GLY A 2 3.418 -26.888 20.533 1.00 0.00 N ATOM 21 CA GLY A 2 3.967 -25.803 21.326 1.00 0.00 C ATOM 22 C GLY A 2 4.003 -24.491 20.567 1.00 0.00 C ATOM 23 O GLY A 2 5.064 -23.883 20.418 1.00 0.00 O ATOM 0 H GLY A 2 3.829 -26.990 19.605 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.371 -25.680 22.230 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.977 -26.064 21.643 1.00 0.00 H new ATOM 27 N SER A 3 2.844 -24.054 20.088 1.00 0.00 N ATOM 28 CA SER A 3 2.748 -22.806 19.342 1.00 0.00 C ATOM 29 C SER A 3 1.757 -21.851 19.999 1.00 0.00 C ATOM 30 O SER A 3 1.133 -22.185 21.007 1.00 0.00 O ATOM 31 CB SER A 3 2.330 -23.082 17.893 1.00 0.00 C ATOM 32 OG SER A 3 3.344 -22.694 16.979 1.00 0.00 O ATOM 0 H SER A 3 1.958 -24.546 20.203 1.00 0.00 H new ATOM 0 HA SER A 3 3.731 -22.335 19.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.115 -24.143 17.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.410 -22.542 17.669 1.00 0.00 H new ATOM 0 HG SER A 3 3.049 -22.884 16.064 1.00 0.00 H new ATOM 38 N SER A 4 1.617 -20.664 19.421 1.00 0.00 N ATOM 39 CA SER A 4 0.703 -19.658 19.948 1.00 0.00 C ATOM 40 C SER A 4 0.526 -18.510 18.958 1.00 0.00 C ATOM 41 O SER A 4 -0.582 -18.014 18.760 1.00 0.00 O ATOM 42 CB SER A 4 1.213 -19.124 21.288 1.00 0.00 C ATOM 43 OG SER A 4 2.148 -18.076 21.100 1.00 0.00 O ATOM 0 H SER A 4 2.126 -20.374 18.586 1.00 0.00 H new ATOM 0 HA SER A 4 -0.267 -20.130 20.102 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.373 -18.763 21.882 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.678 -19.933 21.852 1.00 0.00 H new ATOM 0 HG SER A 4 2.456 -17.752 21.972 1.00 0.00 H new ATOM 49 N HIS A 5 1.627 -18.093 18.339 1.00 0.00 N ATOM 50 CA HIS A 5 1.592 -17.003 17.370 1.00 0.00 C ATOM 51 C HIS A 5 2.837 -17.021 16.485 1.00 0.00 C ATOM 52 O HIS A 5 3.834 -17.663 16.815 1.00 0.00 O ATOM 53 CB HIS A 5 1.478 -15.658 18.089 1.00 0.00 C ATOM 54 CG HIS A 5 0.631 -14.661 17.361 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.522 -15.001 16.686 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.772 -13.322 17.204 1.00 0.00 C ATOM 57 CE1 HIS A 5 -1.053 -13.919 16.146 1.00 0.00 C ATOM 58 NE2 HIS A 5 -0.287 -12.886 16.446 1.00 0.00 N ATOM 0 H HIS A 5 2.553 -18.493 18.491 1.00 0.00 H new ATOM 0 HA HIS A 5 0.717 -17.141 16.735 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.061 -15.821 19.083 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.476 -15.243 18.227 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.569 -12.711 17.601 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -1.959 -13.885 15.559 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -0.455 -11.921 16.161 1.00 0.00 H new ATOM 67 N HIS A 6 2.770 -16.314 15.359 1.00 0.00 N ATOM 68 CA HIS A 6 3.892 -16.253 14.425 1.00 0.00 C ATOM 69 C HIS A 6 3.705 -15.113 13.424 1.00 0.00 C ATOM 70 O HIS A 6 2.582 -14.684 13.159 1.00 0.00 O ATOM 71 CB HIS A 6 4.032 -17.583 13.681 1.00 0.00 C ATOM 72 CG HIS A 6 5.366 -17.776 13.024 1.00 0.00 C ATOM 73 ND1 HIS A 6 6.466 -16.993 13.302 1.00 0.00 N ATOM 74 CD2 HIS A 6 5.775 -18.671 12.093 1.00 0.00 C ATOM 75 CE1 HIS A 6 7.490 -17.392 12.570 1.00 0.00 C ATOM 76 NE2 HIS A 6 7.097 -18.410 11.828 1.00 0.00 N ATOM 0 H HIS A 6 1.952 -15.776 15.072 1.00 0.00 H new ATOM 0 HA HIS A 6 4.801 -16.065 14.996 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.862 -18.400 14.383 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.252 -17.647 12.922 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.173 -19.446 11.643 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.480 -16.959 12.577 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.681 -18.920 11.165 1.00 0.00 H new ATOM 85 N HIS A 7 4.814 -14.626 12.875 1.00 0.00 N ATOM 86 CA HIS A 7 4.778 -13.536 11.908 1.00 0.00 C ATOM 87 C HIS A 7 5.166 -14.025 10.513 1.00 0.00 C ATOM 88 O HIS A 7 6.291 -13.813 10.062 1.00 0.00 O ATOM 89 CB HIS A 7 5.723 -12.417 12.350 1.00 0.00 C ATOM 90 CG HIS A 7 5.193 -11.043 12.087 1.00 0.00 C ATOM 91 ND1 HIS A 7 5.996 -9.924 12.034 1.00 0.00 N ATOM 92 CD2 HIS A 7 3.931 -10.608 11.859 1.00 0.00 C ATOM 93 CE1 HIS A 7 5.254 -8.861 11.788 1.00 0.00 C ATOM 94 NE2 HIS A 7 3.997 -9.248 11.677 1.00 0.00 N ATOM 0 H HIS A 7 5.751 -14.971 13.085 1.00 0.00 H new ATOM 0 HA HIS A 7 3.758 -13.153 11.863 1.00 0.00 H new ATOM 0 HB2 HIS A 7 5.922 -12.522 13.416 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.676 -12.534 11.835 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.039 -11.217 11.826 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.614 -7.847 11.694 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.203 -8.636 11.487 1.00 0.00 H new ATOM 103 N HIS A 8 4.227 -14.676 9.834 1.00 0.00 N ATOM 104 CA HIS A 8 4.473 -15.189 8.489 1.00 0.00 C ATOM 105 C HIS A 8 3.475 -14.604 7.494 1.00 0.00 C ATOM 106 O HIS A 8 2.278 -14.531 7.771 1.00 0.00 O ATOM 107 CB HIS A 8 4.387 -16.717 8.477 1.00 0.00 C ATOM 108 CG HIS A 8 5.106 -17.349 7.324 1.00 0.00 C ATOM 109 ND1 HIS A 8 5.343 -16.695 6.133 1.00 0.00 N ATOM 110 CD2 HIS A 8 5.641 -18.585 7.182 1.00 0.00 C ATOM 111 CE1 HIS A 8 5.993 -17.500 5.310 1.00 0.00 C ATOM 112 NE2 HIS A 8 6.186 -18.652 5.923 1.00 0.00 N ATOM 0 H HIS A 8 3.290 -14.861 10.191 1.00 0.00 H new ATOM 0 HA HIS A 8 5.477 -14.888 8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 8 4.801 -17.103 9.408 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.338 -17.013 8.447 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.639 -19.372 7.922 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.312 -17.256 4.307 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.663 -19.462 5.526 1.00 0.00 H new ATOM 121 N HIS A 9 3.977 -14.188 6.334 1.00 0.00 N ATOM 122 CA HIS A 9 3.128 -13.609 5.297 1.00 0.00 C ATOM 123 C HIS A 9 2.030 -14.584 4.883 1.00 0.00 C ATOM 124 O HIS A 9 2.068 -15.764 5.233 1.00 0.00 O ATOM 125 CB HIS A 9 3.967 -13.216 4.080 1.00 0.00 C ATOM 126 CG HIS A 9 3.462 -11.995 3.375 1.00 0.00 C ATOM 127 ND1 HIS A 9 3.474 -11.856 2.003 1.00 0.00 N ATOM 128 CD2 HIS A 9 2.923 -10.850 3.859 1.00 0.00 C ATOM 129 CE1 HIS A 9 2.968 -10.681 1.673 1.00 0.00 C ATOM 130 NE2 HIS A 9 2.626 -10.051 2.781 1.00 0.00 N ATOM 0 H HIS A 9 4.966 -14.241 6.089 1.00 0.00 H new ATOM 0 HA HIS A 9 2.657 -12.715 5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 9 4.995 -13.043 4.398 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.987 -14.049 3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.757 -10.610 4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 9 2.854 -10.301 0.668 1.00 0.00 H new ATOM 0 HE2 HIS A 9 2.209 -9.122 2.829 1.00 0.00 H new ATOM 139 N HIS A 10 1.052 -14.082 4.136 1.00 0.00 N ATOM 140 CA HIS A 10 -0.060 -14.906 3.673 1.00 0.00 C ATOM 141 C HIS A 10 0.418 -15.976 2.695 1.00 0.00 C ATOM 142 O HIS A 10 0.418 -17.166 3.011 1.00 0.00 O ATOM 143 CB HIS A 10 -1.126 -14.032 3.011 1.00 0.00 C ATOM 144 CG HIS A 10 -2.158 -13.518 3.967 1.00 0.00 C ATOM 145 ND1 HIS A 10 -2.537 -14.201 5.104 1.00 0.00 N ATOM 146 CD2 HIS A 10 -2.893 -12.382 3.953 1.00 0.00 C ATOM 147 CE1 HIS A 10 -3.459 -13.509 5.748 1.00 0.00 C ATOM 148 NE2 HIS A 10 -3.693 -12.400 5.071 1.00 0.00 N ATOM 0 H HIS A 10 1.007 -13.108 3.838 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.493 -15.405 4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.640 -13.186 2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.622 -14.607 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.858 -11.606 3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.939 -13.800 6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.359 -11.674 5.335 1.00 0.00 H new ATOM 157 N HIS A 11 0.823 -15.545 1.504 1.00 0.00 N ATOM 158 CA HIS A 11 1.303 -16.461 0.473 1.00 0.00 C ATOM 159 C HIS A 11 0.160 -17.308 -0.082 1.00 0.00 C ATOM 160 O HIS A 11 0.028 -18.487 0.250 1.00 0.00 O ATOM 161 CB HIS A 11 2.412 -17.365 1.028 1.00 0.00 C ATOM 162 CG HIS A 11 3.760 -17.085 0.439 1.00 0.00 C ATOM 163 ND1 HIS A 11 4.053 -15.931 -0.256 1.00 0.00 N ATOM 164 CD2 HIS A 11 4.900 -17.816 0.445 1.00 0.00 C ATOM 165 CE1 HIS A 11 5.311 -15.963 -0.654 1.00 0.00 C ATOM 166 NE2 HIS A 11 5.848 -17.097 -0.241 1.00 0.00 N ATOM 0 H HIS A 11 0.828 -14.563 1.228 1.00 0.00 H new ATOM 0 HA HIS A 11 1.713 -15.864 -0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.464 -17.241 2.110 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.150 -18.406 0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 11 5.038 -18.784 0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.815 -15.194 -1.220 1.00 0.00 H new ATOM 0 HE2 HIS A 11 6.811 -17.391 -0.405 1.00 0.00 H new ATOM 175 N HIS A 12 -0.661 -16.698 -0.931 1.00 0.00 N ATOM 176 CA HIS A 12 -1.793 -17.394 -1.541 1.00 0.00 C ATOM 177 C HIS A 12 -1.593 -17.562 -3.048 1.00 0.00 C ATOM 178 O HIS A 12 -2.345 -18.282 -3.704 1.00 0.00 O ATOM 179 CB HIS A 12 -3.097 -16.637 -1.270 1.00 0.00 C ATOM 180 CG HIS A 12 -2.964 -15.150 -1.377 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.451 -14.366 -0.365 1.00 0.00 N ATOM 182 CD2 HIS A 12 -3.282 -14.300 -2.382 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.459 -13.100 -0.742 1.00 0.00 C ATOM 184 NE2 HIS A 12 -2.958 -13.033 -1.961 1.00 0.00 N ATOM 0 H HIS A 12 -0.565 -15.723 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.855 -18.385 -1.091 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.857 -16.976 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.453 -16.890 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.710 -14.568 -3.336 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.116 -12.263 -0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.083 -12.178 -2.504 1.00 0.00 H new ATOM 193 N GLU A 13 -0.577 -16.895 -3.590 1.00 0.00 N ATOM 194 CA GLU A 13 -0.283 -16.975 -5.017 1.00 0.00 C ATOM 195 C GLU A 13 1.181 -16.639 -5.286 1.00 0.00 C ATOM 196 O GLU A 13 1.743 -15.737 -4.665 1.00 0.00 O ATOM 197 CB GLU A 13 -1.190 -16.024 -5.800 1.00 0.00 C ATOM 198 CG GLU A 13 -1.687 -16.603 -7.115 1.00 0.00 C ATOM 199 CD GLU A 13 -0.751 -16.313 -8.272 1.00 0.00 C ATOM 200 OE1 GLU A 13 -0.705 -15.148 -8.721 1.00 0.00 O ATOM 201 OE2 GLU A 13 -0.063 -17.250 -8.728 1.00 0.00 O ATOM 0 H GLU A 13 0.056 -16.294 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.471 -17.997 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.048 -15.761 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.647 -15.100 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.806 -17.681 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.672 -16.194 -7.338 1.00 0.00 H new ATOM 208 N ASN A 14 1.791 -17.370 -6.214 1.00 0.00 N ATOM 209 CA ASN A 14 3.191 -17.147 -6.561 1.00 0.00 C ATOM 210 C ASN A 14 3.361 -15.836 -7.323 1.00 0.00 C ATOM 211 O ASN A 14 2.667 -15.586 -8.309 1.00 0.00 O ATOM 212 CB ASN A 14 3.722 -18.314 -7.397 1.00 0.00 C ATOM 213 CG ASN A 14 5.080 -18.793 -6.919 1.00 0.00 C ATOM 214 OD1 ASN A 14 5.804 -18.065 -6.241 1.00 0.00 O ATOM 215 ND2 ASN A 14 5.432 -20.026 -7.270 1.00 0.00 N ATOM 0 H ASN A 14 1.340 -18.120 -6.738 1.00 0.00 H new ATOM 0 HA ASN A 14 3.764 -17.083 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.012 -19.140 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.794 -18.008 -8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.333 -20.402 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.801 -20.596 -7.833 1.00 0.00 H new ATOM 222 N LEU A 15 4.287 -15.003 -6.859 1.00 0.00 N ATOM 223 CA LEU A 15 4.546 -13.716 -7.495 1.00 0.00 C ATOM 224 C LEU A 15 5.695 -13.822 -8.492 1.00 0.00 C ATOM 225 O LEU A 15 6.382 -14.840 -8.561 1.00 0.00 O ATOM 226 CB LEU A 15 4.870 -12.657 -6.439 1.00 0.00 C ATOM 227 CG LEU A 15 3.741 -11.664 -6.149 1.00 0.00 C ATOM 228 CD1 LEU A 15 3.552 -11.493 -4.648 1.00 0.00 C ATOM 229 CD2 LEU A 15 4.023 -10.321 -6.813 1.00 0.00 C ATOM 0 H LEU A 15 4.871 -15.196 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 15 3.646 -13.419 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.137 -13.162 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.749 -12.100 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 15 2.817 -12.063 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.746 -10.784 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.300 -12.455 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.475 -11.118 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.209 -9.629 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.958 -9.914 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.104 -10.458 -7.891 1.00 0.00 H new ATOM 241 N TYR A 16 5.894 -12.758 -9.262 1.00 0.00 N ATOM 242 CA TYR A 16 6.959 -12.722 -10.259 1.00 0.00 C ATOM 243 C TYR A 16 7.586 -11.329 -10.355 1.00 0.00 C ATOM 244 O TYR A 16 8.743 -11.189 -10.752 1.00 0.00 O ATOM 245 CB TYR A 16 6.418 -13.147 -11.626 1.00 0.00 C ATOM 246 CG TYR A 16 6.553 -14.629 -11.896 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.790 -15.190 -12.190 1.00 0.00 C ATOM 248 CD2 TYR A 16 5.446 -15.467 -11.858 1.00 0.00 C ATOM 249 CE1 TYR A 16 7.919 -16.544 -12.438 1.00 0.00 C ATOM 250 CE2 TYR A 16 5.567 -16.822 -12.104 1.00 0.00 C ATOM 251 CZ TYR A 16 6.804 -17.356 -12.395 1.00 0.00 C ATOM 252 OH TYR A 16 6.926 -18.707 -12.639 1.00 0.00 O ATOM 0 H TYR A 16 5.332 -11.908 -9.215 1.00 0.00 H new ATOM 0 HA TYR A 16 7.734 -13.421 -9.945 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.367 -12.868 -11.694 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.945 -12.595 -12.404 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.665 -14.558 -12.225 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.474 -15.053 -11.632 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.888 -16.964 -12.664 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.696 -17.459 -12.068 1.00 0.00 H new ATOM 0 HH TYR A 16 6.046 -19.133 -12.568 1.00 0.00 H new ATOM 262 N PHE A 17 6.818 -10.302 -9.995 1.00 0.00 N ATOM 263 CA PHE A 17 7.305 -8.927 -10.045 1.00 0.00 C ATOM 264 C PHE A 17 8.013 -8.544 -8.746 1.00 0.00 C ATOM 265 O PHE A 17 9.194 -8.194 -8.750 1.00 0.00 O ATOM 266 CB PHE A 17 6.144 -7.965 -10.299 1.00 0.00 C ATOM 267 CG PHE A 17 6.573 -6.658 -10.899 1.00 0.00 C ATOM 268 CD1 PHE A 17 6.666 -6.509 -12.272 1.00 0.00 C ATOM 269 CD2 PHE A 17 6.888 -5.579 -10.088 1.00 0.00 C ATOM 270 CE1 PHE A 17 7.065 -5.308 -12.828 1.00 0.00 C ATOM 271 CE2 PHE A 17 7.287 -4.375 -10.638 1.00 0.00 C ATOM 272 CZ PHE A 17 7.376 -4.240 -12.010 1.00 0.00 C ATOM 0 H PHE A 17 5.857 -10.397 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 17 8.022 -8.856 -10.863 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.425 -8.443 -10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.629 -7.773 -9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.424 -7.341 -12.917 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.821 -5.680 -9.015 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.133 -5.205 -13.901 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.529 -3.541 -9.996 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.688 -3.301 -12.442 1.00 0.00 H new ATOM 282 N GLN A 18 7.279 -8.611 -7.636 1.00 0.00 N ATOM 283 CA GLN A 18 7.822 -8.273 -6.321 1.00 0.00 C ATOM 284 C GLN A 18 8.003 -6.762 -6.173 1.00 0.00 C ATOM 285 O GLN A 18 9.038 -6.294 -5.699 1.00 0.00 O ATOM 286 CB GLN A 18 9.161 -8.983 -6.078 1.00 0.00 C ATOM 287 CG GLN A 18 9.194 -10.429 -6.552 1.00 0.00 C ATOM 288 CD GLN A 18 10.603 -10.904 -6.850 1.00 0.00 C ATOM 289 OE1 GLN A 18 11.580 -10.322 -6.376 1.00 0.00 O ATOM 290 NE2 GLN A 18 10.716 -11.964 -7.640 1.00 0.00 N ATOM 0 H GLN A 18 6.300 -8.898 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 18 7.104 -8.614 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.951 -8.428 -6.584 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.386 -8.956 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.751 -11.069 -5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.582 -10.530 -7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.880 -12.415 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.639 -12.328 -7.877 1.00 0.00 H new ATOM 299 N GLY A 19 6.988 -6.004 -6.578 1.00 0.00 N ATOM 300 CA GLY A 19 7.056 -4.556 -6.478 1.00 0.00 C ATOM 301 C GLY A 19 5.686 -3.915 -6.345 1.00 0.00 C ATOM 302 O GLY A 19 5.182 -3.308 -7.290 1.00 0.00 O ATOM 0 H GLY A 19 6.120 -6.366 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.666 -4.283 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.555 -4.158 -7.361 1.00 0.00 H new ATOM 306 N SER A 20 5.083 -4.048 -5.166 1.00 0.00 N ATOM 307 CA SER A 20 3.764 -3.479 -4.906 1.00 0.00 C ATOM 308 C SER A 20 3.555 -3.248 -3.410 1.00 0.00 C ATOM 309 O SER A 20 3.281 -4.185 -2.659 1.00 0.00 O ATOM 310 CB SER A 20 2.675 -4.403 -5.456 1.00 0.00 C ATOM 311 OG SER A 20 2.893 -5.744 -5.052 1.00 0.00 O ATOM 0 H SER A 20 5.489 -4.546 -4.374 1.00 0.00 H new ATOM 0 HA SER A 20 3.701 -2.515 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.699 -4.068 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.660 -4.345 -6.544 1.00 0.00 H new ATOM 0 HG SER A 20 3.127 -5.765 -4.100 1.00 0.00 H new ATOM 317 N LYS A 21 3.698 -1.996 -2.984 1.00 0.00 N ATOM 318 CA LYS A 21 3.540 -1.637 -1.577 1.00 0.00 C ATOM 319 C LYS A 21 2.111 -1.897 -1.089 1.00 0.00 C ATOM 320 O LYS A 21 1.725 -3.047 -0.873 1.00 0.00 O ATOM 321 CB LYS A 21 3.931 -0.171 -1.361 1.00 0.00 C ATOM 322 CG LYS A 21 5.420 0.087 -1.512 1.00 0.00 C ATOM 323 CD LYS A 21 6.125 0.078 -0.166 1.00 0.00 C ATOM 324 CE LYS A 21 5.993 1.417 0.540 1.00 0.00 C ATOM 325 NZ LYS A 21 6.734 2.497 -0.171 1.00 0.00 N ATOM 0 H LYS A 21 3.924 -1.211 -3.595 1.00 0.00 H new ATOM 0 HA LYS A 21 4.205 -2.269 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.388 0.450 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.616 0.138 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.858 -0.673 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.576 1.049 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.705 -0.708 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.180 -0.157 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.939 1.687 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.370 1.329 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.939 3.272 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.626 2.117 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.154 2.857 -0.956 1.00 0.00 H new ATOM 339 N ARG A 22 1.327 -0.832 -0.916 1.00 0.00 N ATOM 340 CA ARG A 22 -0.050 -0.965 -0.454 1.00 0.00 C ATOM 341 C ARG A 22 -1.029 -0.695 -1.591 1.00 0.00 C ATOM 342 O ARG A 22 -0.793 0.174 -2.430 1.00 0.00 O ATOM 343 CB ARG A 22 -0.317 -0.005 0.710 1.00 0.00 C ATOM 344 CG ARG A 22 0.195 1.404 0.465 1.00 0.00 C ATOM 345 CD ARG A 22 0.130 2.254 1.723 1.00 0.00 C ATOM 346 NE ARG A 22 1.463 2.580 2.218 1.00 0.00 N ATOM 347 CZ ARG A 22 1.699 3.147 3.397 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.695 3.472 4.201 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.946 3.391 3.772 1.00 0.00 N ATOM 0 H ARG A 22 1.623 0.129 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.196 -1.988 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.390 0.035 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.151 -0.401 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.224 1.360 0.109 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.395 1.874 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.417 3.174 1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.426 1.721 2.495 1.00 0.00 H new ATOM 0 HE ARG A 22 2.262 2.360 1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.267 3.287 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.885 3.907 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.721 3.144 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.131 3.826 4.676 1.00 0.00 H new ATOM 363 N LYS A 23 -2.126 -1.445 -1.618 1.00 0.00 N ATOM 364 CA LYS A 23 -3.136 -1.285 -2.658 1.00 0.00 C ATOM 365 C LYS A 23 -4.529 -1.123 -2.044 1.00 0.00 C ATOM 366 O LYS A 23 -5.032 -2.038 -1.394 1.00 0.00 O ATOM 367 CB LYS A 23 -3.114 -2.501 -3.591 1.00 0.00 C ATOM 368 CG LYS A 23 -1.756 -2.759 -4.232 1.00 0.00 C ATOM 369 CD LYS A 23 -1.712 -2.263 -5.669 1.00 0.00 C ATOM 370 CE LYS A 23 -1.438 -3.391 -6.651 1.00 0.00 C ATOM 371 NZ LYS A 23 -0.626 -2.929 -7.812 1.00 0.00 N ATOM 0 H LYS A 23 -2.338 -2.169 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.907 -0.385 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.413 -3.385 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.855 -2.358 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.979 -2.263 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.539 -3.827 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.661 -1.788 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.939 -1.501 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.914 -4.199 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.383 -3.800 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.460 -3.726 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.137 -2.175 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.286 -2.562 -7.474 1.00 0.00 H new ATOM 385 N ILE A 24 -5.152 0.044 -2.248 1.00 0.00 N ATOM 386 CA ILE A 24 -6.488 0.305 -1.705 1.00 0.00 C ATOM 387 C ILE A 24 -7.553 0.140 -2.788 1.00 0.00 C ATOM 388 O ILE A 24 -7.257 0.289 -3.971 1.00 0.00 O ATOM 389 CB ILE A 24 -6.600 1.731 -1.121 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.526 1.968 -0.059 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.985 1.955 -0.528 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.840 3.314 -0.168 1.00 0.00 C ATOM 0 H ILE A 24 -4.755 0.817 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.650 -0.420 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.446 2.444 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.980 1.882 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.775 1.182 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.048 2.964 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.738 1.830 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.162 1.231 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.092 3.406 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.355 3.397 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.579 4.108 -0.062 1.00 0.00 H new ATOM 404 N ILE A 25 -8.789 -0.162 -2.383 1.00 0.00 N ATOM 405 CA ILE A 25 -9.891 -0.347 -3.330 1.00 0.00 C ATOM 406 C ILE A 25 -11.024 0.632 -3.050 1.00 0.00 C ATOM 407 O ILE A 25 -11.308 0.962 -1.898 1.00 0.00 O ATOM 408 CB ILE A 25 -10.421 -1.808 -3.308 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.959 -1.884 -3.320 1.00 0.00 C ATOM 410 CG2 ILE A 25 -9.863 -2.544 -2.109 1.00 0.00 C ATOM 411 CD1 ILE A 25 -12.622 -1.516 -2.005 1.00 0.00 C ATOM 0 H ILE A 25 -9.052 -0.284 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.499 -0.145 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.077 -2.289 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.336 -1.222 -4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.257 -2.897 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.240 -3.567 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.775 -2.559 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.172 -2.037 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.704 -1.598 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.279 -2.193 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.359 -0.492 -1.739 1.00 0.00 H new ATOM 423 N VAL A 26 -11.670 1.088 -4.113 1.00 0.00 N ATOM 424 CA VAL A 26 -12.775 2.021 -3.990 1.00 0.00 C ATOM 425 C VAL A 26 -14.003 1.486 -4.704 1.00 0.00 C ATOM 426 O VAL A 26 -14.004 1.332 -5.925 1.00 0.00 O ATOM 427 CB VAL A 26 -12.416 3.397 -4.576 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.425 4.445 -4.138 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.007 3.800 -4.171 1.00 0.00 C ATOM 0 H VAL A 26 -11.445 0.825 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.986 2.135 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.450 3.327 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.154 5.411 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.418 4.162 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.428 4.515 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.772 4.776 -4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.941 3.851 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.296 3.062 -4.543 1.00 0.00 H new ATOM 439 N ALA A 27 -15.044 1.196 -3.939 1.00 0.00 N ATOM 440 CA ALA A 27 -16.273 0.673 -4.509 1.00 0.00 C ATOM 441 C ALA A 27 -17.459 1.548 -4.148 1.00 0.00 C ATOM 442 O ALA A 27 -17.708 1.836 -2.977 1.00 0.00 O ATOM 443 CB ALA A 27 -16.492 -0.765 -4.068 1.00 0.00 C ATOM 0 H ALA A 27 -15.061 1.314 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.179 0.684 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.417 -1.142 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.656 -1.380 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.560 -0.806 -2.981 1.00 0.00 H new ATOM 449 N CYS A 28 -18.168 1.987 -5.176 1.00 0.00 N ATOM 450 CA CYS A 28 -19.318 2.858 -4.994 1.00 0.00 C ATOM 451 C CYS A 28 -20.553 2.293 -5.686 1.00 0.00 C ATOM 452 O CYS A 28 -20.486 1.262 -6.358 1.00 0.00 O ATOM 453 CB CYS A 28 -18.993 4.246 -5.549 1.00 0.00 C ATOM 454 SG CYS A 28 -19.776 5.608 -4.658 1.00 0.00 S ATOM 0 H CYS A 28 -17.966 1.753 -6.148 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.536 2.929 -3.928 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.913 4.388 -5.529 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.300 4.287 -6.594 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.435 6.737 -5.205 1.00 0.00 H new ATOM 460 N GLY A 29 -21.681 2.975 -5.517 1.00 0.00 N ATOM 461 CA GLY A 29 -22.916 2.528 -6.132 1.00 0.00 C ATOM 462 C GLY A 29 -23.916 3.654 -6.300 1.00 0.00 C ATOM 463 O GLY A 29 -24.907 3.727 -5.571 1.00 0.00 O ATOM 0 H GLY A 29 -21.761 3.829 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.697 2.092 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -23.358 1.740 -5.522 1.00 0.00 H new ATOM 467 N GLY A 30 -23.659 4.534 -7.261 1.00 0.00 N ATOM 468 CA GLY A 30 -24.555 5.651 -7.504 1.00 0.00 C ATOM 469 C GLY A 30 -23.981 6.652 -8.486 1.00 0.00 C ATOM 470 O GLY A 30 -23.774 6.333 -9.657 1.00 0.00 O ATOM 0 H GLY A 30 -22.847 4.495 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -25.504 5.275 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -24.768 6.154 -6.561 1.00 0.00 H new ATOM 474 N ALA A 31 -23.722 7.869 -8.012 1.00 0.00 N ATOM 475 CA ALA A 31 -23.168 8.914 -8.865 1.00 0.00 C ATOM 476 C ALA A 31 -21.714 8.615 -9.217 1.00 0.00 C ATOM 477 O ALA A 31 -20.887 8.378 -8.336 1.00 0.00 O ATOM 478 CB ALA A 31 -23.295 10.272 -8.191 1.00 0.00 C ATOM 0 H ALA A 31 -23.886 8.153 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 31 -23.738 8.937 -9.794 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -22.877 11.041 -8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.347 10.488 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -22.752 10.261 -7.246 1.00 0.00 H new ATOM 484 N VAL A 32 -21.416 8.617 -10.512 1.00 0.00 N ATOM 485 CA VAL A 32 -20.069 8.333 -10.998 1.00 0.00 C ATOM 486 C VAL A 32 -19.052 9.336 -10.459 1.00 0.00 C ATOM 487 O VAL A 32 -17.965 8.956 -10.022 1.00 0.00 O ATOM 488 CB VAL A 32 -20.011 8.344 -12.539 1.00 0.00 C ATOM 489 CG1 VAL A 32 -18.721 7.704 -13.030 1.00 0.00 C ATOM 490 CG2 VAL A 32 -21.224 7.638 -13.135 1.00 0.00 C ATOM 0 H VAL A 32 -22.094 8.813 -11.249 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.815 7.337 -10.635 1.00 0.00 H new ATOM 0 HB VAL A 32 -20.028 9.382 -12.872 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.698 7.721 -14.120 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -17.868 8.260 -12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -18.671 6.672 -12.682 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -21.159 7.659 -14.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -21.247 6.603 -12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -22.134 8.146 -12.816 1.00 0.00 H new ATOM 500 N ALA A 33 -19.407 10.615 -10.500 1.00 0.00 N ATOM 501 CA ALA A 33 -18.523 11.671 -10.021 1.00 0.00 C ATOM 502 C ALA A 33 -18.075 11.418 -8.584 1.00 0.00 C ATOM 503 O ALA A 33 -17.021 11.889 -8.161 1.00 0.00 O ATOM 504 CB ALA A 33 -19.216 13.022 -10.130 1.00 0.00 C ATOM 0 H ALA A 33 -20.302 10.946 -10.860 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.632 11.674 -10.649 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -18.547 13.804 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -19.473 13.216 -11.171 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.124 13.015 -9.527 1.00 0.00 H new ATOM 510 N THR A 34 -18.884 10.672 -7.839 1.00 0.00 N ATOM 511 CA THR A 34 -18.577 10.359 -6.446 1.00 0.00 C ATOM 512 C THR A 34 -17.382 9.423 -6.344 1.00 0.00 C ATOM 513 O THR A 34 -16.392 9.727 -5.678 1.00 0.00 O ATOM 514 CB THR A 34 -19.788 9.718 -5.764 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.981 10.398 -6.105 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.694 9.720 -4.260 1.00 0.00 C ATOM 0 H THR A 34 -19.759 10.272 -8.177 1.00 0.00 H new ATOM 0 HA THR A 34 -18.331 11.294 -5.943 1.00 0.00 H new ATOM 0 HB THR A 34 -19.800 8.688 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.620 10.327 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.584 9.252 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.810 9.163 -3.950 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.621 10.747 -3.901 1.00 0.00 H new ATOM 524 N SER A 35 -17.489 8.279 -7.009 1.00 0.00 N ATOM 525 CA SER A 35 -16.428 7.281 -7.003 1.00 0.00 C ATOM 526 C SER A 35 -15.101 7.893 -7.440 1.00 0.00 C ATOM 527 O SER A 35 -14.056 7.619 -6.849 1.00 0.00 O ATOM 528 CB SER A 35 -16.803 6.112 -7.917 1.00 0.00 C ATOM 529 OG SER A 35 -17.923 6.433 -8.728 1.00 0.00 O ATOM 0 H SER A 35 -18.305 8.019 -7.562 1.00 0.00 H new ATOM 0 HA SER A 35 -16.309 6.911 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.954 5.855 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.028 5.233 -7.313 1.00 0.00 H new ATOM 0 HG SER A 35 -17.737 7.252 -9.233 1.00 0.00 H new ATOM 535 N THR A 36 -15.151 8.729 -8.473 1.00 0.00 N ATOM 536 CA THR A 36 -13.952 9.384 -8.982 1.00 0.00 C ATOM 537 C THR A 36 -13.541 10.538 -8.072 1.00 0.00 C ATOM 538 O THR A 36 -12.356 10.845 -7.943 1.00 0.00 O ATOM 539 CB THR A 36 -14.187 9.898 -10.402 1.00 0.00 C ATOM 540 OG1 THR A 36 -13.026 10.539 -10.903 1.00 0.00 O ATOM 541 CG2 THR A 36 -15.331 10.882 -10.496 1.00 0.00 C ATOM 0 H THR A 36 -16.008 8.968 -8.973 1.00 0.00 H new ATOM 0 HA THR A 36 -13.146 8.650 -9.001 1.00 0.00 H new ATOM 0 HB THR A 36 -14.435 9.016 -10.993 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.196 10.859 -11.813 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.446 11.209 -11.529 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.251 10.403 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.122 11.745 -9.864 1.00 0.00 H new ATOM 549 N MET A 37 -14.526 11.171 -7.436 1.00 0.00 N ATOM 550 CA MET A 37 -14.256 12.289 -6.534 1.00 0.00 C ATOM 551 C MET A 37 -13.194 11.905 -5.512 1.00 0.00 C ATOM 552 O MET A 37 -12.179 12.585 -5.371 1.00 0.00 O ATOM 553 CB MET A 37 -15.534 12.724 -5.813 1.00 0.00 C ATOM 554 CG MET A 37 -15.325 13.880 -4.848 1.00 0.00 C ATOM 555 SD MET A 37 -15.675 15.481 -5.601 1.00 0.00 S ATOM 556 CE MET A 37 -17.407 15.678 -5.189 1.00 0.00 C ATOM 0 H MET A 37 -15.513 10.930 -7.528 1.00 0.00 H new ATOM 0 HA MET A 37 -13.889 13.123 -7.132 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.280 13.011 -6.554 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.940 11.873 -5.265 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.967 13.743 -3.978 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.296 13.868 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 37 -17.770 16.625 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 37 -17.980 14.858 -5.623 1.00 0.00 H new ATOM 0 HE3 MET A 37 -17.526 15.671 -4.106 1.00 0.00 H new ATOM 566 N ALA A 38 -13.432 10.805 -4.808 1.00 0.00 N ATOM 567 CA ALA A 38 -12.490 10.328 -3.810 1.00 0.00 C ATOM 568 C ALA A 38 -11.172 9.943 -4.471 1.00 0.00 C ATOM 569 O ALA A 38 -10.114 10.456 -4.112 1.00 0.00 O ATOM 570 CB ALA A 38 -13.078 9.150 -3.045 1.00 0.00 C ATOM 0 H ALA A 38 -14.268 10.230 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.295 11.131 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.360 8.804 -2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.996 9.462 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.300 8.340 -3.739 1.00 0.00 H new ATOM 576 N ALA A 39 -11.247 9.041 -5.449 1.00 0.00 N ATOM 577 CA ALA A 39 -10.064 8.582 -6.174 1.00 0.00 C ATOM 578 C ALA A 39 -9.129 9.739 -6.523 1.00 0.00 C ATOM 579 O ALA A 39 -7.965 9.749 -6.121 1.00 0.00 O ATOM 580 CB ALA A 39 -10.477 7.843 -7.438 1.00 0.00 C ATOM 0 H ALA A 39 -12.119 8.612 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.519 7.902 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.587 7.506 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.089 6.981 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.051 8.512 -8.079 1.00 0.00 H new ATOM 586 N GLU A 40 -9.643 10.713 -7.270 1.00 0.00 N ATOM 587 CA GLU A 40 -8.848 11.871 -7.666 1.00 0.00 C ATOM 588 C GLU A 40 -8.328 12.618 -6.439 1.00 0.00 C ATOM 589 O GLU A 40 -7.256 13.223 -6.478 1.00 0.00 O ATOM 590 CB GLU A 40 -9.678 12.816 -8.540 1.00 0.00 C ATOM 591 CG GLU A 40 -8.838 13.769 -9.377 1.00 0.00 C ATOM 592 CD GLU A 40 -9.474 15.138 -9.517 1.00 0.00 C ATOM 593 OE1 GLU A 40 -10.334 15.306 -10.408 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.113 16.043 -8.736 1.00 0.00 O ATOM 0 H GLU A 40 -10.604 10.723 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.995 11.514 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.309 12.224 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.343 13.397 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.853 13.875 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.687 13.340 -10.367 1.00 0.00 H new ATOM 601 N GLU A 41 -9.093 12.569 -5.353 1.00 0.00 N ATOM 602 CA GLU A 41 -8.713 13.239 -4.115 1.00 0.00 C ATOM 603 C GLU A 41 -7.570 12.500 -3.422 1.00 0.00 C ATOM 604 O GLU A 41 -6.555 13.100 -3.066 1.00 0.00 O ATOM 605 CB GLU A 41 -9.916 13.337 -3.174 1.00 0.00 C ATOM 606 CG GLU A 41 -10.734 14.606 -3.355 1.00 0.00 C ATOM 607 CD GLU A 41 -10.462 15.635 -2.275 1.00 0.00 C ATOM 608 OE1 GLU A 41 -10.107 15.233 -1.147 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.606 16.844 -2.557 1.00 0.00 O ATOM 0 H GLU A 41 -9.982 12.071 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.372 14.244 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.562 12.474 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.565 13.286 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.512 15.041 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.794 14.354 -3.352 1.00 0.00 H new ATOM 616 N ILE A 42 -7.739 11.194 -3.230 1.00 0.00 N ATOM 617 CA ILE A 42 -6.712 10.388 -2.576 1.00 0.00 C ATOM 618 C ILE A 42 -5.415 10.402 -3.381 1.00 0.00 C ATOM 619 O ILE A 42 -4.324 10.305 -2.820 1.00 0.00 O ATOM 620 CB ILE A 42 -7.150 8.921 -2.375 1.00 0.00 C ATOM 621 CG1 ILE A 42 -8.610 8.831 -1.922 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.242 8.243 -1.361 1.00 0.00 C ATOM 623 CD1 ILE A 42 -8.888 9.538 -0.613 1.00 0.00 C ATOM 0 H ILE A 42 -8.570 10.675 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.553 10.839 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.066 8.408 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.248 9.257 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.886 7.781 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.557 7.209 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.214 8.264 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.303 8.769 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.942 9.430 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.277 9.098 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.645 10.596 -0.712 1.00 0.00 H new ATOM 635 N LYS A 43 -5.545 10.518 -4.700 1.00 0.00 N ATOM 636 CA LYS A 43 -4.389 10.538 -5.590 1.00 0.00 C ATOM 637 C LYS A 43 -3.548 11.793 -5.379 1.00 0.00 C ATOM 638 O LYS A 43 -2.357 11.711 -5.076 1.00 0.00 O ATOM 639 CB LYS A 43 -4.842 10.459 -7.049 1.00 0.00 C ATOM 640 CG LYS A 43 -3.973 9.557 -7.910 1.00 0.00 C ATOM 641 CD LYS A 43 -4.671 9.188 -9.211 1.00 0.00 C ATOM 642 CE LYS A 43 -4.569 7.698 -9.500 1.00 0.00 C ATOM 643 NZ LYS A 43 -3.662 7.416 -10.647 1.00 0.00 N ATOM 0 H LYS A 43 -6.443 10.600 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.773 9.670 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.870 10.098 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.843 11.462 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.031 10.060 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.728 8.650 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.720 9.477 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.228 9.750 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.204 7.180 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.561 7.301 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.619 6.390 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.023 7.889 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.709 7.772 -10.431 1.00 0.00 H new ATOM 657 N GLU A 44 -4.173 12.958 -5.543 1.00 0.00 N ATOM 658 CA GLU A 44 -3.476 14.229 -5.370 1.00 0.00 C ATOM 659 C GLU A 44 -2.770 14.275 -4.024 1.00 0.00 C ATOM 660 O GLU A 44 -1.702 14.872 -3.889 1.00 0.00 O ATOM 661 CB GLU A 44 -4.454 15.400 -5.481 1.00 0.00 C ATOM 662 CG GLU A 44 -5.592 15.343 -4.475 1.00 0.00 C ATOM 663 CD GLU A 44 -6.045 16.719 -4.029 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.218 17.459 -3.455 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.226 17.056 -4.251 1.00 0.00 O ATOM 0 H GLU A 44 -5.157 13.047 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.732 14.314 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.907 16.333 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.871 15.419 -6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.436 14.812 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.274 14.769 -3.604 1.00 0.00 H new ATOM 672 N LEU A 45 -3.375 13.642 -3.028 1.00 0.00 N ATOM 673 CA LEU A 45 -2.803 13.614 -1.693 1.00 0.00 C ATOM 674 C LEU A 45 -1.540 12.759 -1.660 1.00 0.00 C ATOM 675 O LEU A 45 -0.471 13.231 -1.275 1.00 0.00 O ATOM 676 CB LEU A 45 -3.827 13.086 -0.689 1.00 0.00 C ATOM 677 CG LEU A 45 -3.655 13.603 0.739 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.849 13.213 1.599 1.00 0.00 C ATOM 679 CD2 LEU A 45 -2.362 13.075 1.346 1.00 0.00 C ATOM 0 H LEU A 45 -4.260 13.143 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.532 14.633 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.825 13.350 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.772 11.997 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.600 14.691 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.707 13.590 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.758 13.642 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.939 12.127 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.256 13.453 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.387 11.985 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.516 13.408 0.745 1.00 0.00 H new ATOM 691 N CYS A 46 -1.669 11.498 -2.065 1.00 0.00 N ATOM 692 CA CYS A 46 -0.536 10.577 -2.078 1.00 0.00 C ATOM 693 C CYS A 46 0.705 11.232 -2.682 1.00 0.00 C ATOM 694 O CYS A 46 1.818 11.053 -2.184 1.00 0.00 O ATOM 695 CB CYS A 46 -0.895 9.313 -2.862 1.00 0.00 C ATOM 696 SG CYS A 46 -1.095 7.840 -1.834 1.00 0.00 S ATOM 0 H CYS A 46 -2.547 11.091 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.308 10.309 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.821 9.489 -3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.117 9.124 -3.602 1.00 0.00 H new ATOM 0 HG CYS A 46 0.043 7.218 -1.741 1.00 0.00 H new ATOM 702 N GLN A 47 0.506 11.995 -3.753 1.00 0.00 N ATOM 703 CA GLN A 47 1.608 12.680 -4.422 1.00 0.00 C ATOM 704 C GLN A 47 2.131 13.830 -3.568 1.00 0.00 C ATOM 705 O GLN A 47 3.340 14.032 -3.454 1.00 0.00 O ATOM 706 CB GLN A 47 1.155 13.205 -5.786 1.00 0.00 C ATOM 707 CG GLN A 47 0.723 12.108 -6.744 1.00 0.00 C ATOM 708 CD GLN A 47 1.431 12.189 -8.083 1.00 0.00 C ATOM 709 OE1 GLN A 47 2.371 11.439 -8.348 1.00 0.00 O ATOM 710 NE2 GLN A 47 0.983 13.105 -8.934 1.00 0.00 N ATOM 0 H GLN A 47 -0.408 12.155 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 47 2.416 11.963 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.326 13.898 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.970 13.771 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.921 11.137 -6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.354 12.172 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.201 13.705 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.421 13.208 -9.849 1.00 0.00 H new ATOM 719 N SER A 48 1.211 14.581 -2.975 1.00 0.00 N ATOM 720 CA SER A 48 1.570 15.718 -2.129 1.00 0.00 C ATOM 721 C SER A 48 2.617 15.325 -1.085 1.00 0.00 C ATOM 722 O SER A 48 3.564 16.068 -0.833 1.00 0.00 O ATOM 723 CB SER A 48 0.321 16.273 -1.437 1.00 0.00 C ATOM 724 OG SER A 48 0.644 16.877 -0.194 1.00 0.00 O ATOM 0 H SER A 48 0.207 14.424 -3.063 1.00 0.00 H new ATOM 0 HA SER A 48 2.002 16.489 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.161 17.005 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.396 15.468 -1.277 1.00 0.00 H new ATOM 0 HG SER A 48 -0.172 17.223 0.223 1.00 0.00 H new ATOM 730 N HIS A 49 2.431 14.159 -0.475 1.00 0.00 N ATOM 731 CA HIS A 49 3.353 13.672 0.548 1.00 0.00 C ATOM 732 C HIS A 49 4.359 12.674 -0.032 1.00 0.00 C ATOM 733 O HIS A 49 5.218 12.160 0.685 1.00 0.00 O ATOM 734 CB HIS A 49 2.565 13.025 1.688 1.00 0.00 C ATOM 735 CG HIS A 49 3.411 12.573 2.839 1.00 0.00 C ATOM 736 ND1 HIS A 49 3.101 11.475 3.614 1.00 0.00 N ATOM 737 CD2 HIS A 49 4.556 13.080 3.355 1.00 0.00 C ATOM 738 CE1 HIS A 49 4.015 11.327 4.556 1.00 0.00 C ATOM 739 NE2 HIS A 49 4.910 12.287 4.421 1.00 0.00 N ATOM 0 H HIS A 49 1.650 13.533 -0.671 1.00 0.00 H new ATOM 0 HA HIS A 49 3.915 14.524 0.931 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.825 13.737 2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.017 12.168 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.092 13.946 2.996 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.028 10.552 5.308 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.731 12.419 5.011 1.00 0.00 H new ATOM 748 N ASN A 50 4.252 12.408 -1.332 1.00 0.00 N ATOM 749 CA ASN A 50 5.156 11.480 -2.007 1.00 0.00 C ATOM 750 C ASN A 50 5.104 10.088 -1.373 1.00 0.00 C ATOM 751 O ASN A 50 6.130 9.551 -0.950 1.00 0.00 O ATOM 752 CB ASN A 50 6.588 12.023 -1.973 1.00 0.00 C ATOM 753 CG ASN A 50 6.764 13.258 -2.839 1.00 0.00 C ATOM 754 OD1 ASN A 50 5.789 13.891 -3.243 1.00 0.00 O ATOM 755 ND2 ASN A 50 8.012 13.608 -3.127 1.00 0.00 N ATOM 0 H ASN A 50 3.546 12.823 -1.940 1.00 0.00 H new ATOM 0 HA ASN A 50 4.831 11.388 -3.043 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.857 12.263 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.275 11.247 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.191 14.430 -3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.792 13.055 -2.771 1.00 0.00 H new ATOM 762 N ILE A 51 3.909 9.499 -1.321 1.00 0.00 N ATOM 763 CA ILE A 51 3.738 8.163 -0.751 1.00 0.00 C ATOM 764 C ILE A 51 3.370 7.151 -1.834 1.00 0.00 C ATOM 765 O ILE A 51 2.210 7.055 -2.231 1.00 0.00 O ATOM 766 CB ILE A 51 2.638 8.121 0.331 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.673 9.367 1.218 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.790 6.864 1.177 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.296 9.841 1.631 1.00 0.00 C ATOM 0 H ILE A 51 3.048 9.924 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 51 4.695 7.907 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 51 1.671 8.102 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.260 9.153 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.183 10.170 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.010 6.841 1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.701 5.984 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.768 6.866 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.389 10.727 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.714 10.085 0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.792 9.052 2.190 1.00 0.00 H new ATOM 781 N PRO A 52 4.350 6.374 -2.330 1.00 0.00 N ATOM 782 CA PRO A 52 4.102 5.368 -3.369 1.00 0.00 C ATOM 783 C PRO A 52 2.970 4.410 -2.997 1.00 0.00 C ATOM 784 O PRO A 52 3.130 3.555 -2.126 1.00 0.00 O ATOM 785 CB PRO A 52 5.433 4.616 -3.461 1.00 0.00 C ATOM 786 CG PRO A 52 6.453 5.586 -2.974 1.00 0.00 C ATOM 787 CD PRO A 52 5.767 6.413 -1.922 1.00 0.00 C ATOM 0 HA PRO A 52 3.788 5.823 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.421 3.714 -2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.641 4.304 -4.484 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.318 5.068 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.816 6.213 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.910 5.995 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.151 7.433 -1.898 1.00 0.00 H new ATOM 795 N VAL A 53 1.831 4.553 -3.675 1.00 0.00 N ATOM 796 CA VAL A 53 0.670 3.697 -3.429 1.00 0.00 C ATOM 797 C VAL A 53 -0.161 3.517 -4.702 1.00 0.00 C ATOM 798 O VAL A 53 -0.047 4.303 -5.642 1.00 0.00 O ATOM 799 CB VAL A 53 -0.234 4.267 -2.315 1.00 0.00 C ATOM 800 CG1 VAL A 53 -1.396 3.325 -2.033 1.00 0.00 C ATOM 801 CG2 VAL A 53 0.568 4.522 -1.046 1.00 0.00 C ATOM 0 H VAL A 53 1.687 5.255 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 53 1.057 2.730 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.639 5.219 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.021 3.744 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.989 3.198 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.010 2.357 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.089 4.923 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.006 3.586 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.362 5.239 -1.255 1.00 0.00 H new ATOM 811 N GLU A 54 -0.994 2.477 -4.726 1.00 0.00 N ATOM 812 CA GLU A 54 -1.841 2.198 -5.885 1.00 0.00 C ATOM 813 C GLU A 54 -3.303 2.042 -5.459 1.00 0.00 C ATOM 814 O GLU A 54 -3.632 1.179 -4.646 1.00 0.00 O ATOM 815 CB GLU A 54 -1.371 0.927 -6.603 1.00 0.00 C ATOM 816 CG GLU A 54 0.137 0.709 -6.576 1.00 0.00 C ATOM 817 CD GLU A 54 0.817 1.170 -7.850 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.266 2.064 -8.526 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.899 0.634 -8.174 1.00 0.00 O ATOM 0 H GLU A 54 -1.100 1.815 -3.957 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.762 3.041 -6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.858 0.065 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.701 0.968 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.562 1.245 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.344 -0.350 -6.421 1.00 0.00 H new ATOM 826 N LEU A 55 -4.172 2.894 -5.998 1.00 0.00 N ATOM 827 CA LEU A 55 -5.595 2.865 -5.657 1.00 0.00 C ATOM 828 C LEU A 55 -6.432 2.201 -6.759 1.00 0.00 C ATOM 829 O LEU A 55 -6.420 2.640 -7.909 1.00 0.00 O ATOM 830 CB LEU A 55 -6.088 4.295 -5.409 1.00 0.00 C ATOM 831 CG LEU A 55 -7.186 4.442 -4.352 1.00 0.00 C ATOM 832 CD1 LEU A 55 -6.578 4.676 -2.977 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.126 5.581 -4.717 1.00 0.00 C ATOM 0 H LEU A 55 -3.917 3.614 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.716 2.269 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.237 4.907 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.458 4.701 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.759 3.515 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.374 4.778 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.943 3.831 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.980 5.587 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.900 5.672 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.563 6.513 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.589 5.376 -5.682 1.00 0.00 H new ATOM 845 N ILE A 56 -7.160 1.142 -6.392 1.00 0.00 N ATOM 846 CA ILE A 56 -8.008 0.410 -7.337 1.00 0.00 C ATOM 847 C ILE A 56 -9.479 0.774 -7.139 1.00 0.00 C ATOM 848 O ILE A 56 -9.901 1.102 -6.030 1.00 0.00 O ATOM 849 CB ILE A 56 -7.828 -1.127 -7.211 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.550 -1.854 -8.348 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.333 -1.631 -5.869 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.684 -2.873 -9.058 1.00 0.00 C ATOM 0 H ILE A 56 -7.179 0.771 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.694 0.705 -8.338 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.761 -1.340 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.432 -2.354 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.902 -1.120 -9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.194 -2.710 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.775 -1.149 -5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.392 -1.396 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.259 -3.350 -9.852 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.815 -2.375 -9.489 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.353 -3.629 -8.346 1.00 0.00 H new ATOM 864 N GLN A 57 -10.259 0.712 -8.217 1.00 0.00 N ATOM 865 CA GLN A 57 -11.681 1.029 -8.158 1.00 0.00 C ATOM 866 C GLN A 57 -12.503 -0.149 -8.671 1.00 0.00 C ATOM 867 O GLN A 57 -12.253 -0.662 -9.761 1.00 0.00 O ATOM 868 CB GLN A 57 -11.982 2.273 -8.999 1.00 0.00 C ATOM 869 CG GLN A 57 -11.388 2.212 -10.400 1.00 0.00 C ATOM 870 CD GLN A 57 -12.040 3.189 -11.360 1.00 0.00 C ATOM 871 OE1 GLN A 57 -13.211 3.045 -11.713 1.00 0.00 O ATOM 872 NE2 GLN A 57 -11.280 4.190 -11.795 1.00 0.00 N ATOM 0 H GLN A 57 -9.927 0.444 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 57 -11.950 1.228 -7.121 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.062 2.399 -9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.594 3.153 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.320 2.422 -10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.495 1.200 -10.791 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.314 4.272 -11.477 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.663 4.875 -12.446 1.00 0.00 H new ATOM 881 N CYS A 58 -13.481 -0.580 -7.882 1.00 0.00 N ATOM 882 CA CYS A 58 -14.330 -1.702 -8.260 1.00 0.00 C ATOM 883 C CYS A 58 -15.747 -1.502 -7.729 1.00 0.00 C ATOM 884 O CYS A 58 -15.985 -0.625 -6.908 1.00 0.00 O ATOM 885 CB CYS A 58 -13.744 -3.011 -7.732 1.00 0.00 C ATOM 886 SG CYS A 58 -13.160 -4.125 -9.029 1.00 0.00 S ATOM 0 H CYS A 58 -13.705 -0.168 -6.976 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.373 -1.753 -9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.915 -2.783 -7.062 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.501 -3.524 -7.139 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.679 -5.205 -8.489 1.00 0.00 H new ATOM 892 N ARG A 59 -16.686 -2.314 -8.202 1.00 0.00 N ATOM 893 CA ARG A 59 -18.075 -2.215 -7.767 1.00 0.00 C ATOM 894 C ARG A 59 -18.265 -2.817 -6.374 1.00 0.00 C ATOM 895 O ARG A 59 -17.301 -3.006 -5.632 1.00 0.00 O ATOM 896 CB ARG A 59 -18.983 -2.925 -8.775 1.00 0.00 C ATOM 897 CG ARG A 59 -20.083 -2.037 -9.327 1.00 0.00 C ATOM 898 CD ARG A 59 -21.226 -2.854 -9.902 1.00 0.00 C ATOM 899 NE ARG A 59 -22.177 -2.019 -10.630 1.00 0.00 N ATOM 900 CZ ARG A 59 -23.498 -2.064 -10.459 1.00 0.00 C ATOM 901 NH1 ARG A 59 -24.039 -2.908 -9.589 1.00 0.00 N ATOM 902 NH2 ARG A 59 -24.283 -1.260 -11.163 1.00 0.00 N ATOM 0 H ARG A 59 -16.511 -3.049 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.343 -1.160 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.376 -3.295 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.434 -3.794 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.460 -1.390 -8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.673 -1.388 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.827 -3.617 -10.570 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.742 -3.374 -9.095 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.807 -1.359 -11.313 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -23.443 -3.530 -9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.051 -2.934 -9.466 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.876 -0.609 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -25.294 -1.293 -11.034 1.00 0.00 H new ATOM 916 N VAL A 60 -19.516 -3.116 -6.026 1.00 0.00 N ATOM 917 CA VAL A 60 -19.834 -3.697 -4.724 1.00 0.00 C ATOM 918 C VAL A 60 -19.735 -5.223 -4.755 1.00 0.00 C ATOM 919 O VAL A 60 -19.656 -5.868 -3.709 1.00 0.00 O ATOM 920 CB VAL A 60 -21.251 -3.299 -4.253 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.342 -3.350 -2.736 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.629 -1.915 -4.766 1.00 0.00 C ATOM 0 H VAL A 60 -20.325 -2.965 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.100 -3.301 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.959 -4.017 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.347 -3.067 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.126 -4.362 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.619 -2.658 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.631 -1.660 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.917 -1.180 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.610 -1.913 -5.856 1.00 0.00 H new ATOM 932 N ASN A 61 -19.740 -5.795 -5.956 1.00 0.00 N ATOM 933 CA ASN A 61 -19.649 -7.243 -6.116 1.00 0.00 C ATOM 934 C ASN A 61 -18.561 -7.606 -7.122 1.00 0.00 C ATOM 935 O ASN A 61 -18.838 -8.166 -8.183 1.00 0.00 O ATOM 936 CB ASN A 61 -20.995 -7.812 -6.573 1.00 0.00 C ATOM 937 CG ASN A 61 -21.200 -9.246 -6.125 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.412 -10.131 -6.459 1.00 0.00 O ATOM 939 ND2 ASN A 61 -22.263 -9.482 -5.367 1.00 0.00 N ATOM 0 H ASN A 61 -19.806 -5.278 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.389 -7.678 -5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.801 -7.193 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.057 -7.762 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -22.454 -10.428 -5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -22.889 -8.718 -5.115 1.00 0.00 H new ATOM 946 N GLU A 62 -17.321 -7.276 -6.779 1.00 0.00 N ATOM 947 CA GLU A 62 -16.180 -7.557 -7.648 1.00 0.00 C ATOM 948 C GLU A 62 -14.864 -7.416 -6.887 1.00 0.00 C ATOM 949 O GLU A 62 -13.896 -8.124 -7.162 1.00 0.00 O ATOM 950 CB GLU A 62 -16.190 -6.615 -8.854 1.00 0.00 C ATOM 951 CG GLU A 62 -16.050 -7.332 -10.187 1.00 0.00 C ATOM 952 CD GLU A 62 -17.219 -7.071 -11.117 1.00 0.00 C ATOM 953 OE1 GLU A 62 -18.240 -7.781 -10.997 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.114 -6.158 -11.962 1.00 0.00 O ATOM 0 H GLU A 62 -17.078 -6.812 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.265 -8.586 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.120 -6.046 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.377 -5.897 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.127 -7.013 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.963 -8.404 -10.011 1.00 0.00 H new ATOM 961 N ILE A 63 -14.836 -6.497 -5.927 1.00 0.00 N ATOM 962 CA ILE A 63 -13.648 -6.263 -5.121 1.00 0.00 C ATOM 963 C ILE A 63 -13.182 -7.545 -4.436 1.00 0.00 C ATOM 964 O ILE A 63 -11.987 -7.755 -4.232 1.00 0.00 O ATOM 965 CB ILE A 63 -13.917 -5.181 -4.057 1.00 0.00 C ATOM 966 CG1 ILE A 63 -15.233 -5.460 -3.323 1.00 0.00 C ATOM 967 CG2 ILE A 63 -13.961 -3.812 -4.716 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.054 -5.836 -1.868 1.00 0.00 C ATOM 0 H ILE A 63 -15.628 -5.900 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.861 -5.920 -5.792 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.109 -5.200 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.867 -4.575 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -15.760 -6.266 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.151 -3.050 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -13.006 -3.611 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.757 -3.792 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.029 -6.018 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.447 -6.739 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.556 -5.022 -1.340 1.00 0.00 H new ATOM 980 N GLU A 64 -14.137 -8.403 -4.090 1.00 0.00 N ATOM 981 CA GLU A 64 -13.830 -9.670 -3.435 1.00 0.00 C ATOM 982 C GLU A 64 -13.008 -10.572 -4.349 1.00 0.00 C ATOM 983 O GLU A 64 -12.073 -11.236 -3.904 1.00 0.00 O ATOM 984 CB GLU A 64 -15.119 -10.384 -3.031 1.00 0.00 C ATOM 985 CG GLU A 64 -16.105 -9.486 -2.307 1.00 0.00 C ATOM 986 CD GLU A 64 -17.181 -10.269 -1.584 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.534 -11.370 -2.058 1.00 0.00 O ATOM 988 OE2 GLU A 64 -17.670 -9.784 -0.542 1.00 0.00 O ATOM 0 H GLU A 64 -15.131 -8.243 -4.253 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.244 -9.453 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.596 -10.789 -3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.871 -11.230 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.567 -8.866 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.572 -8.811 -3.025 1.00 0.00 H new ATOM 995 N THR A 65 -13.365 -10.593 -5.629 1.00 0.00 N ATOM 996 CA THR A 65 -12.658 -11.418 -6.602 1.00 0.00 C ATOM 997 C THR A 65 -11.337 -10.769 -6.998 1.00 0.00 C ATOM 998 O THR A 65 -10.333 -11.455 -7.192 1.00 0.00 O ATOM 999 CB THR A 65 -13.524 -11.651 -7.841 1.00 0.00 C ATOM 1000 OG1 THR A 65 -13.688 -10.451 -8.574 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.904 -12.182 -7.514 1.00 0.00 C ATOM 0 H THR A 65 -14.137 -10.050 -6.016 1.00 0.00 H new ATOM 0 HA THR A 65 -12.446 -12.382 -6.139 1.00 0.00 H new ATOM 0 HB THR A 65 -12.992 -12.400 -8.427 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.847 -9.708 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.467 -12.325 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.813 -13.135 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.427 -11.469 -6.877 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.336 -9.442 -7.111 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.130 -8.708 -7.475 1.00 0.00 C ATOM 1011 C TYR A 66 -9.228 -8.481 -6.259 1.00 0.00 C ATOM 1012 O TYR A 66 -8.276 -7.703 -6.323 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.498 -7.364 -8.109 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.968 -7.471 -9.544 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -12.197 -8.043 -9.852 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.187 -6.998 -10.590 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.632 -8.142 -11.161 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -10.615 -7.092 -11.902 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.837 -7.665 -12.181 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.266 -7.759 -13.486 1.00 0.00 O ATOM 0 H TYR A 66 -12.156 -8.856 -6.956 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.580 -9.309 -8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.282 -6.895 -7.514 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.631 -6.705 -8.069 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.823 -8.417 -9.055 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.229 -6.549 -10.375 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.589 -8.590 -11.383 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.995 -6.718 -12.703 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.589 -7.375 -14.081 1.00 0.00 H new ATOM 1030 N MET A 67 -9.518 -9.165 -5.152 1.00 0.00 N ATOM 1031 CA MET A 67 -8.718 -9.033 -3.937 1.00 0.00 C ATOM 1032 C MET A 67 -7.385 -9.774 -4.077 1.00 0.00 C ATOM 1033 O MET A 67 -6.984 -10.524 -3.188 1.00 0.00 O ATOM 1034 CB MET A 67 -9.497 -9.581 -2.733 1.00 0.00 C ATOM 1035 CG MET A 67 -9.951 -8.510 -1.756 1.00 0.00 C ATOM 1036 SD MET A 67 -8.584 -7.798 -0.830 1.00 0.00 S ATOM 1037 CE MET A 67 -8.418 -8.976 0.509 1.00 0.00 C ATOM 0 H MET A 67 -10.300 -9.815 -5.073 1.00 0.00 H new ATOM 0 HA MET A 67 -8.508 -7.975 -3.779 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.371 -10.124 -3.094 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.871 -10.300 -2.204 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.466 -7.720 -2.302 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.672 -8.939 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.607 -8.666 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.349 -9.018 1.074 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.197 -9.962 0.101 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.703 -9.571 -5.202 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.429 -10.234 -5.453 1.00 0.00 C ATOM 1049 C ASP A 68 -4.362 -9.772 -4.468 1.00 0.00 C ATOM 1050 O ASP A 68 -3.567 -10.574 -3.977 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.972 -9.969 -6.890 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.787 -11.248 -7.681 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -3.925 -12.066 -7.293 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.505 -11.435 -8.685 1.00 0.00 O ATOM 0 H ASP A 68 -7.012 -8.953 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.573 -11.306 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.706 -9.338 -7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.033 -9.416 -6.874 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.347 -8.475 -4.186 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.372 -7.926 -3.262 1.00 0.00 C ATOM 1061 C GLY A 69 -3.751 -6.542 -2.775 1.00 0.00 C ATOM 1062 O GLY A 69 -3.124 -5.551 -3.149 1.00 0.00 O ATOM 0 H GLY A 69 -4.994 -7.792 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.270 -8.594 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.398 -7.882 -3.750 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.787 -6.475 -1.944 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.262 -5.208 -1.407 1.00 0.00 C ATOM 1068 C VAL A 70 -4.844 -5.025 0.048 1.00 0.00 C ATOM 1069 O VAL A 70 -5.041 -5.913 0.877 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.790 -5.122 -1.488 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.277 -3.770 -1.006 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.276 -5.415 -2.902 1.00 0.00 C ATOM 0 H VAL A 70 -5.315 -7.289 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.812 -4.420 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.211 -5.882 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.364 -3.730 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.970 -3.621 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.847 -2.985 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.363 -5.348 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.847 -4.688 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.966 -6.419 -3.193 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.274 -3.866 0.353 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.839 -3.562 1.712 1.00 0.00 C ATOM 1084 C HIS A 71 -4.899 -2.768 2.472 1.00 0.00 C ATOM 1085 O HIS A 71 -4.874 -2.699 3.701 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.525 -2.789 1.683 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.384 -3.602 1.167 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.461 -4.362 0.019 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.131 -3.776 1.647 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.308 -4.970 -0.186 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.517 -4.630 0.788 1.00 0.00 N ATOM 0 H HIS A 71 -4.102 -3.121 -0.322 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.688 -4.507 2.235 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.644 -1.903 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.291 -2.442 2.689 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.282 -3.328 2.538 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.078 -5.631 -1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.480 -4.950 0.886 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.828 -2.169 1.734 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.895 -1.379 2.336 1.00 0.00 C ATOM 1102 C LEU A 72 -8.136 -1.395 1.448 1.00 0.00 C ATOM 1103 O LEU A 72 -8.033 -1.460 0.224 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.423 0.059 2.549 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.547 0.284 3.785 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.099 0.526 3.381 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.070 1.452 4.610 1.00 0.00 C ATOM 0 H LEU A 72 -5.863 -2.216 0.716 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.152 -1.817 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.866 0.376 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.298 0.704 2.622 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.588 -0.616 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.494 0.684 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.724 -0.340 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.042 1.408 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.433 1.595 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.063 2.358 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.089 1.241 4.934 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.308 -1.353 2.066 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.567 -1.375 1.324 1.00 0.00 C ATOM 1121 C ILE A 73 -11.466 -0.217 1.741 1.00 0.00 C ATOM 1122 O ILE A 73 -11.658 0.038 2.928 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.326 -2.705 1.543 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.834 -3.382 2.822 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.164 -3.634 0.347 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.625 -4.277 2.625 1.00 0.00 C ATOM 0 H ILE A 73 -9.416 -1.303 3.079 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.316 -1.278 0.268 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.388 -2.482 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.588 -2.614 3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.647 -3.975 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.708 -4.561 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.560 -3.150 -0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.107 -3.857 0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.340 -4.719 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.870 -5.069 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.795 -3.687 2.236 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.017 0.482 0.760 1.00 0.00 N ATOM 1139 CA CYS A 74 -12.897 1.608 1.033 1.00 0.00 C ATOM 1140 C CYS A 74 -14.219 1.453 0.286 1.00 0.00 C ATOM 1141 O CYS A 74 -14.287 1.670 -0.923 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.214 2.915 0.630 1.00 0.00 C ATOM 1143 SG CYS A 74 -12.556 4.300 1.739 1.00 0.00 S ATOM 0 H CYS A 74 -11.871 0.290 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.108 1.631 2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.137 2.752 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.533 3.183 -0.377 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.932 5.359 1.316 1.00 0.00 H new ATOM 1149 N THR A 75 -15.269 1.081 1.015 1.00 0.00 N ATOM 1150 CA THR A 75 -16.588 0.904 0.417 1.00 0.00 C ATOM 1151 C THR A 75 -17.682 1.387 1.361 1.00 0.00 C ATOM 1152 O THR A 75 -17.482 1.459 2.575 1.00 0.00 O ATOM 1153 CB THR A 75 -16.825 -0.565 0.057 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.627 -1.158 -0.431 1.00 0.00 O ATOM 1155 CG2 THR A 75 -17.919 -0.753 -0.982 1.00 0.00 C ATOM 0 H THR A 75 -15.231 0.897 2.018 1.00 0.00 H new ATOM 0 HA THR A 75 -16.624 1.502 -0.494 1.00 0.00 H new ATOM 0 HB THR A 75 -17.147 -1.053 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.795 -2.097 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.040 -1.815 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.857 -0.351 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.646 -0.228 -1.897 1.00 0.00 H new ATOM 1163 N THR A 76 -18.838 1.713 0.798 1.00 0.00 N ATOM 1164 CA THR A 76 -19.965 2.185 1.590 1.00 0.00 C ATOM 1165 C THR A 76 -20.875 1.023 1.978 1.00 0.00 C ATOM 1166 O THR A 76 -21.994 0.901 1.480 1.00 0.00 O ATOM 1167 CB THR A 76 -20.752 3.242 0.813 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.981 3.745 -0.266 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.170 4.418 1.667 1.00 0.00 C ATOM 0 H THR A 76 -19.019 1.659 -0.204 1.00 0.00 H new ATOM 0 HA THR A 76 -19.579 2.637 2.504 1.00 0.00 H new ATOM 0 HB THR A 76 -21.649 2.736 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.500 4.419 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.724 5.132 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.803 4.069 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.284 4.902 2.078 1.00 0.00 H new ATOM 1177 N ALA A 77 -20.382 0.167 2.868 1.00 0.00 N ATOM 1178 CA ALA A 77 -21.143 -0.990 3.324 1.00 0.00 C ATOM 1179 C ALA A 77 -20.365 -1.779 4.372 1.00 0.00 C ATOM 1180 O ALA A 77 -19.214 -1.462 4.673 1.00 0.00 O ATOM 1181 CB ALA A 77 -21.502 -1.885 2.147 1.00 0.00 C ATOM 0 H ALA A 77 -19.457 0.254 3.288 1.00 0.00 H new ATOM 0 HA ALA A 77 -22.063 -0.630 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.070 -2.744 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.104 -1.323 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -20.590 -2.230 1.660 1.00 0.00 H new ATOM 1187 N ARG A 78 -20.998 -2.811 4.923 1.00 0.00 N ATOM 1188 CA ARG A 78 -20.362 -3.648 5.936 1.00 0.00 C ATOM 1189 C ARG A 78 -20.215 -5.083 5.441 1.00 0.00 C ATOM 1190 O ARG A 78 -21.011 -5.957 5.785 1.00 0.00 O ATOM 1191 CB ARG A 78 -21.168 -3.618 7.236 1.00 0.00 C ATOM 1192 CG ARG A 78 -20.390 -3.070 8.423 1.00 0.00 C ATOM 1193 CD ARG A 78 -21.274 -2.223 9.322 1.00 0.00 C ATOM 1194 NE ARG A 78 -22.529 -2.897 9.643 1.00 0.00 N ATOM 1195 CZ ARG A 78 -23.419 -2.431 10.514 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -23.186 -1.302 11.170 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -24.545 -3.097 10.732 1.00 0.00 N ATOM 0 H ARG A 78 -21.951 -3.088 4.685 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.367 -3.248 6.130 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -22.061 -3.011 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -21.505 -4.628 7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -19.970 -3.896 8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -19.552 -2.471 8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.740 -1.993 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.487 -1.273 8.831 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.735 -3.777 9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -22.321 -0.787 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -23.872 -0.949 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.728 -3.967 10.232 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -25.228 -2.740 11.400 1.00 0.00 H new ATOM 1211 N VAL A 79 -19.193 -5.317 4.632 1.00 0.00 N ATOM 1212 CA VAL A 79 -18.939 -6.645 4.091 1.00 0.00 C ATOM 1213 C VAL A 79 -17.852 -7.361 4.891 1.00 0.00 C ATOM 1214 O VAL A 79 -17.190 -8.265 4.388 1.00 0.00 O ATOM 1215 CB VAL A 79 -18.527 -6.582 2.602 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -18.629 -7.957 1.954 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -19.380 -5.570 1.845 1.00 0.00 C ATOM 0 H VAL A 79 -18.526 -4.605 4.335 1.00 0.00 H new ATOM 0 HA VAL A 79 -19.870 -7.206 4.170 1.00 0.00 H new ATOM 0 HB VAL A 79 -17.488 -6.257 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.334 -7.888 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -17.969 -8.653 2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -19.657 -8.315 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -19.072 -5.544 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -20.429 -5.860 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -19.250 -4.582 2.287 1.00 0.00 H new ATOM 1227 N ASP A 80 -17.677 -6.955 6.145 1.00 0.00 N ATOM 1228 CA ASP A 80 -16.670 -7.560 7.011 1.00 0.00 C ATOM 1229 C ASP A 80 -17.138 -8.910 7.559 1.00 0.00 C ATOM 1230 O ASP A 80 -16.405 -9.576 8.290 1.00 0.00 O ATOM 1231 CB ASP A 80 -16.334 -6.614 8.166 1.00 0.00 C ATOM 1232 CG ASP A 80 -15.041 -6.985 8.864 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -14.190 -7.642 8.229 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -14.879 -6.618 10.047 1.00 0.00 O ATOM 0 H ASP A 80 -18.219 -6.210 6.584 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.776 -7.733 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.259 -5.595 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -17.149 -6.625 8.889 1.00 0.00 H new ATOM 1239 N ARG A 81 -18.357 -9.314 7.202 1.00 0.00 N ATOM 1240 CA ARG A 81 -18.907 -10.586 7.660 1.00 0.00 C ATOM 1241 C ARG A 81 -18.772 -11.651 6.577 1.00 0.00 C ATOM 1242 O ARG A 81 -19.613 -12.542 6.460 1.00 0.00 O ATOM 1243 CB ARG A 81 -20.379 -10.421 8.043 1.00 0.00 C ATOM 1244 CG ARG A 81 -20.746 -11.093 9.355 1.00 0.00 C ATOM 1245 CD ARG A 81 -20.676 -10.116 10.517 1.00 0.00 C ATOM 1246 NE ARG A 81 -19.376 -9.455 10.598 1.00 0.00 N ATOM 1247 CZ ARG A 81 -19.210 -8.135 10.676 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -20.257 -7.317 10.661 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -17.988 -7.629 10.765 1.00 0.00 N ATOM 0 H ARG A 81 -18.980 -8.778 6.598 1.00 0.00 H new ATOM 0 HA ARG A 81 -18.344 -10.905 8.537 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -20.611 -9.358 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -21.001 -10.832 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -21.752 -11.506 9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -20.071 -11.929 9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -21.458 -9.365 10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -20.872 -10.646 11.449 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.541 -10.041 10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -21.201 -7.698 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.117 -6.308 10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.178 -8.249 10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.857 -6.619 10.825 1.00 0.00 H new ATOM 1263 N SER A 82 -17.710 -11.548 5.785 1.00 0.00 N ATOM 1264 CA SER A 82 -17.466 -12.500 4.707 1.00 0.00 C ATOM 1265 C SER A 82 -15.974 -12.795 4.561 1.00 0.00 C ATOM 1266 O SER A 82 -15.578 -13.943 4.360 1.00 0.00 O ATOM 1267 CB SER A 82 -18.022 -11.958 3.386 1.00 0.00 C ATOM 1268 OG SER A 82 -17.367 -12.541 2.271 1.00 0.00 O ATOM 0 H SER A 82 -17.005 -10.816 5.869 1.00 0.00 H new ATOM 0 HA SER A 82 -17.976 -13.430 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.091 -12.161 3.329 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.901 -10.875 3.356 1.00 0.00 H new ATOM 0 HG SER A 82 -17.744 -12.177 1.443 1.00 0.00 H new ATOM 1274 N PHE A 83 -15.153 -11.751 4.655 1.00 0.00 N ATOM 1275 CA PHE A 83 -13.704 -11.897 4.524 1.00 0.00 C ATOM 1276 C PHE A 83 -13.074 -12.366 5.830 1.00 0.00 C ATOM 1277 O PHE A 83 -12.133 -13.161 5.825 1.00 0.00 O ATOM 1278 CB PHE A 83 -13.073 -10.571 4.099 1.00 0.00 C ATOM 1279 CG PHE A 83 -13.814 -9.879 2.992 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -13.508 -10.141 1.665 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -14.815 -8.967 3.277 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -14.190 -9.505 0.644 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -15.499 -8.329 2.262 1.00 0.00 C ATOM 1284 CZ PHE A 83 -15.188 -8.596 0.945 1.00 0.00 C ATOM 0 H PHE A 83 -15.466 -10.795 4.821 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.516 -12.651 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.025 -9.908 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.047 -10.753 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -12.729 -10.849 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -15.064 -8.752 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.944 -9.718 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -16.278 -7.620 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.723 -8.096 0.151 1.00 0.00 H new ATOM 1294 N GLY A 84 -13.595 -11.871 6.946 1.00 0.00 N ATOM 1295 CA GLY A 84 -13.067 -12.255 8.243 1.00 0.00 C ATOM 1296 C GLY A 84 -12.423 -11.098 8.979 1.00 0.00 C ATOM 1297 O GLY A 84 -12.574 -10.967 10.194 1.00 0.00 O ATOM 0 H GLY A 84 -14.372 -11.212 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.873 -12.664 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.333 -13.050 8.111 1.00 0.00 H new ATOM 1301 N ASP A 85 -11.698 -10.256 8.247 1.00 0.00 N ATOM 1302 CA ASP A 85 -11.030 -9.110 8.850 1.00 0.00 C ATOM 1303 C ASP A 85 -10.723 -8.042 7.809 1.00 0.00 C ATOM 1304 O ASP A 85 -9.804 -7.240 7.983 1.00 0.00 O ATOM 1305 CB ASP A 85 -9.735 -9.554 9.535 1.00 0.00 C ATOM 1306 CG ASP A 85 -8.806 -10.298 8.592 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -9.311 -11.025 7.712 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -7.574 -10.151 8.735 1.00 0.00 O ATOM 0 H ASP A 85 -11.559 -10.346 7.240 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.703 -8.681 9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.220 -8.680 9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.977 -10.195 10.383 1.00 0.00 H new ATOM 1313 N ILE A 86 -11.484 -8.036 6.717 1.00 0.00 N ATOM 1314 CA ILE A 86 -11.267 -7.066 5.654 1.00 0.00 C ATOM 1315 C ILE A 86 -11.172 -5.641 6.206 1.00 0.00 C ATOM 1316 O ILE A 86 -12.171 -5.060 6.623 1.00 0.00 O ATOM 1317 CB ILE A 86 -12.377 -7.128 4.579 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.988 -6.258 3.389 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -13.719 -6.682 5.146 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.692 -6.614 2.098 1.00 0.00 C ATOM 0 H ILE A 86 -12.250 -8.688 6.548 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.318 -7.330 5.187 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.482 -8.162 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.202 -5.217 3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.912 -6.335 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.479 -6.736 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.000 -7.334 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.640 -5.656 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.357 -5.946 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.458 -7.644 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.769 -6.509 2.230 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.959 -5.059 6.228 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.748 -3.697 6.734 1.00 0.00 C ATOM 1334 C PRO A 87 -10.459 -2.650 5.875 1.00 0.00 C ATOM 1335 O PRO A 87 -9.815 -1.792 5.269 1.00 0.00 O ATOM 1336 CB PRO A 87 -8.226 -3.512 6.655 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.764 -4.516 5.653 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.702 -5.681 5.773 1.00 0.00 C ATOM 0 HA PRO A 87 -10.150 -3.568 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.967 -2.499 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.758 -3.679 7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.785 -4.100 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.736 -4.820 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.829 -6.195 4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.337 -6.419 6.487 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.790 -2.734 5.816 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.584 -1.805 5.014 1.00 0.00 C ATOM 1348 C LEU A 88 -13.159 -0.683 5.876 1.00 0.00 C ATOM 1349 O LEU A 88 -13.235 -0.801 7.100 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.711 -2.563 4.293 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.723 -1.694 3.536 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.078 -2.324 2.194 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -15.977 -1.488 4.373 1.00 0.00 C ATOM 0 H LEU A 88 -12.338 -3.435 6.314 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.930 -1.350 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.260 -3.261 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.251 -3.159 5.029 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.266 -0.722 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.797 -1.691 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.177 -2.423 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.514 -3.309 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.685 -0.869 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.432 -2.454 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.713 -0.993 5.307 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.555 0.409 5.226 1.00 0.00 N ATOM 1366 CA VAL A 89 -14.115 1.560 5.922 1.00 0.00 C ATOM 1367 C VAL A 89 -15.221 2.218 5.095 1.00 0.00 C ATOM 1368 O VAL A 89 -15.235 2.113 3.869 1.00 0.00 O ATOM 1369 CB VAL A 89 -13.017 2.601 6.224 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.350 3.062 4.936 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -13.582 3.786 6.996 1.00 0.00 C ATOM 0 H VAL A 89 -13.497 0.519 4.214 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.540 1.201 6.859 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.263 2.125 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.578 3.796 5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.898 2.207 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.095 3.514 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.786 4.504 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -14.363 4.265 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.002 3.439 7.940 1.00 0.00 H new ATOM 1381 N HIS A 90 -16.143 2.896 5.775 1.00 0.00 N ATOM 1382 CA HIS A 90 -17.249 3.574 5.104 1.00 0.00 C ATOM 1383 C HIS A 90 -16.810 4.945 4.593 1.00 0.00 C ATOM 1384 O HIS A 90 -15.973 5.605 5.207 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.434 3.731 6.061 1.00 0.00 C ATOM 1386 CG HIS A 90 -19.185 2.457 6.302 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -20.393 2.410 6.963 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.888 1.178 5.976 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -20.806 1.159 7.038 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.911 0.387 6.447 1.00 0.00 N ATOM 0 H HIS A 90 -16.146 2.990 6.791 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.556 2.966 4.253 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -18.071 4.115 7.015 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -19.120 4.476 5.657 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -20.891 3.218 7.337 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.011 0.840 5.445 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -21.721 0.823 7.504 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.377 5.367 3.464 1.00 0.00 N ATOM 1400 CA GLY A 91 -17.024 6.656 2.892 1.00 0.00 C ATOM 1401 C GLY A 91 -18.175 7.644 2.910 1.00 0.00 C ATOM 1402 O GLY A 91 -18.260 8.523 2.053 1.00 0.00 O ATOM 0 H GLY A 91 -18.073 4.840 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.183 7.075 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.690 6.513 1.864 1.00 0.00 H new ATOM 1406 N MET A 92 -19.064 7.498 3.886 1.00 0.00 N ATOM 1407 CA MET A 92 -20.218 8.382 4.007 1.00 0.00 C ATOM 1408 C MET A 92 -19.801 9.843 4.210 1.00 0.00 C ATOM 1409 O MET A 92 -20.350 10.738 3.567 1.00 0.00 O ATOM 1410 CB MET A 92 -21.117 7.936 5.162 1.00 0.00 C ATOM 1411 CG MET A 92 -22.480 8.612 5.161 1.00 0.00 C ATOM 1412 SD MET A 92 -23.838 7.453 4.903 1.00 0.00 S ATOM 1413 CE MET A 92 -25.175 8.302 5.740 1.00 0.00 C ATOM 0 H MET A 92 -19.008 6.776 4.605 1.00 0.00 H new ATOM 0 HA MET A 92 -20.772 8.317 3.070 1.00 0.00 H new ATOM 0 HB2 MET A 92 -21.255 6.856 5.109 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.615 8.148 6.106 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.625 9.128 6.110 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.503 9.371 4.379 1.00 0.00 H new ATOM 0 HE1 MET A 92 -26.086 7.707 5.667 1.00 0.00 H new ATOM 0 HE2 MET A 92 -24.916 8.442 6.790 1.00 0.00 H new ATOM 0 HE3 MET A 92 -25.338 9.274 5.273 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.839 10.114 5.114 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.385 11.483 5.390 1.00 0.00 C ATOM 1425 C PRO A 93 -17.486 12.049 4.294 1.00 0.00 C ATOM 1426 O PRO A 93 -17.442 13.262 4.085 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.603 11.334 6.694 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.082 9.941 6.656 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.129 9.122 5.948 1.00 0.00 C ATOM 0 HA PRO A 93 -19.222 12.179 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.792 12.060 6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.243 11.495 7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.129 9.896 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.907 9.563 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.680 8.335 5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.803 8.635 6.653 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.765 11.175 3.600 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.868 11.614 2.536 1.00 0.00 C ATOM 1439 C PHE A 94 -16.658 12.240 1.396 1.00 0.00 C ATOM 1440 O PHE A 94 -16.230 13.224 0.794 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.054 10.427 2.015 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.634 10.768 1.656 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.290 12.050 1.255 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.643 9.803 1.720 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.985 12.361 0.924 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.337 10.107 1.391 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.007 11.388 0.992 1.00 0.00 C ATOM 0 H PHE A 94 -16.783 10.167 3.753 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.189 12.364 2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.048 9.644 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.551 10.017 1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -14.051 12.814 1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.895 8.800 2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.730 13.363 0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.574 9.344 1.445 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.986 11.628 0.734 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.820 11.665 1.109 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.676 12.169 0.045 1.00 0.00 C ATOM 1459 C VAL A 95 -19.434 13.418 0.486 1.00 0.00 C ATOM 1460 O VAL A 95 -19.969 14.153 -0.343 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.696 11.111 -0.415 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.383 11.565 -1.693 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.023 9.759 -0.609 1.00 0.00 C ATOM 0 H VAL A 95 -18.190 10.850 1.599 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.017 12.417 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.453 10.998 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.102 10.809 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.902 12.506 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.638 11.706 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.763 9.028 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.243 9.846 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.581 9.434 0.333 1.00 0.00 H new ATOM 1473 N SER A 96 -19.490 13.645 1.796 1.00 0.00 N ATOM 1474 CA SER A 96 -20.198 14.798 2.341 1.00 0.00 C ATOM 1475 C SER A 96 -19.667 16.106 1.762 1.00 0.00 C ATOM 1476 O SER A 96 -20.438 17.014 1.455 1.00 0.00 O ATOM 1477 CB SER A 96 -20.070 14.822 3.864 1.00 0.00 C ATOM 1478 OG SER A 96 -20.653 13.668 4.445 1.00 0.00 O ATOM 0 H SER A 96 -19.054 13.047 2.498 1.00 0.00 H new ATOM 0 HA SER A 96 -21.248 14.704 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.018 14.881 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.554 15.715 4.258 1.00 0.00 H new ATOM 0 HG SER A 96 -20.440 12.883 3.898 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.350 16.197 1.615 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.753 17.407 1.075 1.00 0.00 C ATOM 1486 C GLY A 97 -17.583 18.500 2.118 1.00 0.00 C ATOM 1487 O GLY A 97 -17.003 19.549 1.835 1.00 0.00 O ATOM 0 H GLY A 97 -17.688 15.460 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.780 17.166 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.375 17.781 0.262 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.098 18.260 3.321 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.012 19.236 4.401 1.00 0.00 C ATOM 1493 C VAL A 98 -17.099 18.748 5.522 1.00 0.00 C ATOM 1494 O VAL A 98 -16.402 19.541 6.156 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.409 19.534 4.979 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.361 20.719 5.932 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.407 19.781 3.855 1.00 0.00 C ATOM 0 H VAL A 98 -18.580 17.397 3.572 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.591 20.148 3.978 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.739 18.663 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.359 20.909 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.682 20.497 6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.008 21.601 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.389 19.990 4.280 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.080 20.633 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.467 18.897 3.221 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.105 17.441 5.763 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.269 16.882 6.809 1.00 0.00 C ATOM 1509 C GLY A 99 -14.996 16.250 6.273 1.00 0.00 C ATOM 1510 O GLY A 99 -14.325 15.505 6.986 1.00 0.00 O ATOM 0 H GLY A 99 -17.671 16.762 5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.008 17.668 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.837 16.132 7.360 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.657 16.550 5.019 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.447 15.999 4.412 1.00 0.00 C ATOM 1516 C ILE A 100 -12.207 16.431 5.188 1.00 0.00 C ATOM 1517 O ILE A 100 -11.282 15.646 5.390 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.262 16.438 2.944 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.547 16.246 2.130 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.112 15.661 2.319 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.382 16.589 0.660 1.00 0.00 C ATOM 0 H ILE A 100 -15.197 17.165 4.410 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.567 14.916 4.443 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.028 17.502 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.875 15.210 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.335 16.868 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.983 15.973 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.195 15.859 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.333 14.594 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.328 16.431 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.083 17.633 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.616 15.949 0.221 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.193 17.693 5.608 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.064 18.246 6.350 1.00 0.00 C ATOM 1535 C GLU A 101 -10.743 17.396 7.575 1.00 0.00 C ATOM 1536 O GLU A 101 -9.587 17.047 7.814 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.364 19.687 6.775 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.370 20.702 6.231 1.00 0.00 C ATOM 1539 CD GLU A 101 -9.732 21.537 7.325 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -10.479 22.117 8.141 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -8.485 21.612 7.364 1.00 0.00 O ATOM 0 H GLU A 101 -12.953 18.354 5.447 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.194 18.241 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.365 19.955 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.368 19.742 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.590 20.180 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.877 21.360 5.526 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.772 17.067 8.347 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.595 16.259 9.546 1.00 0.00 C ATOM 1550 C ALA A 102 -11.253 14.818 9.185 1.00 0.00 C ATOM 1551 O ALA A 102 -10.310 14.241 9.725 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.844 16.312 10.408 1.00 0.00 C ATOM 0 H ALA A 102 -12.736 17.347 8.164 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.762 16.671 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.696 15.703 11.300 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.041 17.343 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.693 15.927 9.843 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.020 14.245 8.263 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.787 12.873 7.826 1.00 0.00 C ATOM 1560 C LEU A 103 -10.380 12.728 7.261 1.00 0.00 C ATOM 1561 O LEU A 103 -9.594 11.901 7.725 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.821 12.463 6.773 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.624 11.063 6.181 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.742 10.130 6.622 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -12.550 11.130 4.662 1.00 0.00 C ATOM 0 H LEU A 103 -12.806 14.707 7.805 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.888 12.216 8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.813 12.515 7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.799 13.190 5.962 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.680 10.664 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.583 9.142 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.746 10.055 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.700 10.524 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.410 10.127 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.476 11.552 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.711 11.760 4.366 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.063 13.547 6.259 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.747 13.517 5.633 1.00 0.00 C ATOM 1579 C GLN A 104 -7.638 13.558 6.683 1.00 0.00 C ATOM 1580 O GLN A 104 -6.697 12.767 6.636 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.587 14.685 4.660 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.269 14.657 3.903 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.707 16.042 3.653 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -6.854 16.596 2.563 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -6.056 16.609 4.662 1.00 0.00 N ATOM 0 H GLN A 104 -10.701 14.238 5.865 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.664 12.582 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.410 14.669 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.662 15.622 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.543 14.072 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.414 14.151 2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.958 16.114 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.654 17.540 4.551 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.740 14.491 7.623 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.731 14.622 8.670 1.00 0.00 C ATOM 1596 C ASN A 105 -6.551 13.308 9.429 1.00 0.00 C ATOM 1597 O ASN A 105 -5.427 12.911 9.741 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.106 15.742 9.646 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.956 16.703 9.889 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.803 16.398 9.585 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -6.263 17.872 10.445 1.00 0.00 N ATOM 0 H ASN A 105 -8.505 15.164 7.683 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.786 14.875 8.189 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.960 16.293 9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.418 15.305 10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.529 18.555 10.635 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.232 18.085 10.682 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.662 12.639 9.731 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.622 11.375 10.463 1.00 0.00 C ATOM 1610 C LYS A 106 -7.154 10.223 9.572 1.00 0.00 C ATOM 1611 O LYS A 106 -6.341 9.402 9.993 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.999 11.054 11.048 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.941 10.449 12.444 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.815 9.209 12.556 1.00 0.00 C ATOM 1615 CE LYS A 106 -9.795 8.633 13.964 1.00 0.00 C ATOM 1616 NZ LYS A 106 -11.170 8.379 14.482 1.00 0.00 N ATOM 0 H LYS A 106 -8.600 12.951 9.480 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.903 11.488 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.593 11.968 11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.515 10.362 10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.910 10.191 12.686 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.264 11.190 13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.839 9.459 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.469 8.455 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.228 7.702 13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.278 9.323 14.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.112 7.987 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.703 9.272 14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.655 7.701 13.861 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.668 10.160 8.344 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.282 9.094 7.420 1.00 0.00 C ATOM 1632 C ILE A 107 -5.802 9.183 7.079 1.00 0.00 C ATOM 1633 O ILE A 107 -5.155 8.171 6.817 1.00 0.00 O ATOM 1634 CB ILE A 107 -8.113 9.106 6.117 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.855 10.380 5.311 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -9.591 8.969 6.441 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -6.766 10.233 4.270 1.00 0.00 C ATOM 0 H ILE A 107 -8.344 10.825 7.969 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.484 8.155 7.935 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.805 8.257 5.506 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.779 10.680 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.584 11.184 5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.169 8.978 5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.763 8.030 6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.904 9.800 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.640 11.177 3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -5.830 9.964 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -7.043 9.452 3.561 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.266 10.399 7.082 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.859 10.611 6.772 1.00 0.00 C ATOM 1651 C LEU A 108 -2.965 10.151 7.918 1.00 0.00 C ATOM 1652 O LEU A 108 -1.986 9.437 7.705 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.598 12.086 6.463 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.690 12.455 4.984 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.589 13.961 4.806 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.603 11.744 4.192 1.00 0.00 C ATOM 0 H LEU A 108 -5.785 11.251 7.296 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.618 10.014 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.313 12.692 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.605 12.349 6.828 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.658 12.130 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.656 14.207 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.403 14.446 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.635 14.311 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.682 12.017 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.625 12.039 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.723 10.666 4.297 1.00 0.00 H new ATOM 1668 N THR A 109 -3.304 10.565 9.133 1.00 0.00 N ATOM 1669 CA THR A 109 -2.523 10.193 10.309 1.00 0.00 C ATOM 1670 C THR A 109 -2.403 8.680 10.430 1.00 0.00 C ATOM 1671 O THR A 109 -1.362 8.159 10.832 1.00 0.00 O ATOM 1672 CB THR A 109 -3.138 10.765 11.591 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.536 10.977 11.456 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.502 12.069 12.020 1.00 0.00 C ATOM 0 H THR A 109 -4.111 11.156 9.331 1.00 0.00 H new ATOM 0 HA THR A 109 -1.527 10.618 10.181 1.00 0.00 H new ATOM 0 HB THR A 109 -2.946 10.012 12.356 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.938 10.218 10.983 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.980 12.424 12.933 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.439 11.912 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.628 12.812 11.232 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.474 7.977 10.087 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.482 6.524 10.165 1.00 0.00 C ATOM 1684 C ILE A 110 -2.586 5.910 9.095 1.00 0.00 C ATOM 1685 O ILE A 110 -1.806 5.000 9.378 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.909 5.959 10.026 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.832 6.594 11.067 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.898 4.444 10.178 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.303 6.388 10.779 1.00 0.00 C ATOM 0 H ILE A 110 -4.346 8.388 9.753 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.095 6.257 11.148 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.285 6.202 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.601 6.178 12.047 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.627 7.663 11.118 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.913 4.061 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.266 4.005 9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.506 4.180 11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.897 6.865 11.559 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.550 6.829 9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.524 5.321 10.757 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.698 6.408 7.869 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.892 5.897 6.764 1.00 0.00 C ATOM 1703 C LEU A 111 -0.422 6.272 6.938 1.00 0.00 C ATOM 1704 O LEU A 111 0.467 5.557 6.475 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.417 6.425 5.427 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.849 6.008 5.078 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.304 6.678 3.788 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.955 4.495 4.960 1.00 0.00 C ATOM 0 H LEU A 111 -3.336 7.162 7.614 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.970 4.810 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.365 7.514 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.752 6.083 4.633 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.505 6.335 5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.324 6.369 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.272 7.761 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.643 6.384 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.980 4.220 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.285 4.143 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.676 4.036 5.908 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.169 7.392 7.612 1.00 0.00 N ATOM 1721 CA GLN A 112 1.199 7.848 7.847 1.00 0.00 C ATOM 1722 C GLN A 112 1.732 7.329 9.182 1.00 0.00 C ATOM 1723 O GLN A 112 2.927 7.430 9.462 1.00 0.00 O ATOM 1724 CB GLN A 112 1.271 9.378 7.816 1.00 0.00 C ATOM 1725 CG GLN A 112 0.491 10.052 8.935 1.00 0.00 C ATOM 1726 CD GLN A 112 1.346 10.992 9.763 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.085 12.193 9.828 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.373 10.448 10.405 1.00 0.00 N ATOM 0 H GLN A 112 -0.890 7.998 8.003 1.00 0.00 H new ATOM 0 HA GLN A 112 1.823 7.448 7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.315 9.685 7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.891 9.731 6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.343 10.608 8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.064 9.288 9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.553 9.447 10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.982 11.031 10.980 1.00 0.00 H new ATOM 1737 N GLY A 113 0.843 6.776 10.004 1.00 0.00 N ATOM 1738 CA GLY A 113 1.251 6.252 11.294 1.00 0.00 C ATOM 1739 C GLY A 113 0.741 4.846 11.536 1.00 0.00 C ATOM 1740 O GLY A 113 0.451 4.142 10.547 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.633 4.448 12.715 1.00 0.00 O ATOM 0 H GLY A 113 -0.152 6.682 9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.339 6.256 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.884 6.909 12.082 1.00 0.00 H new TER 1745 GLY A 113