USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 ASN : amide:sc= -2.45 K(o=-8.6,f=-3.5) USER MOD Set 1.2: A 105 ASN : amide:sc= -6.16! K(o=-8.6!,f=-3.5) USER MOD Set 2.1: A 54 ASN : amide:sc= -3.55! C(o=-3.6!,f=-4!) USER MOD Set 2.2: A 57 CYS SG : rot 180:sc= -0.0594 USER MOD Set 3.1: A 27 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Set 3.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 109 SER OG : rot 73:sc= 0.657 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.129 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.57 K(o=0.57,f=-3.4!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.27 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00831) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 77:sc= 0.914 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 151:sc= -2.36 (180deg=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 177:sc= -1.96 (180deg=-1.99) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.191 USER MOD Single : A 80 MET CE :methyl -167:sc= -0.779 (180deg=-0.951) USER MOD Single : A 86 SER OG : rot -41:sc= -0.0484! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc=-0.000104 X(o=-0.0001,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.053 -8.040 -31.010 1.00 0.00 N ATOM 2 CA GLY A 1 6.937 -7.063 -29.941 1.00 0.00 C ATOM 3 C GLY A 1 7.758 -5.810 -30.251 1.00 0.00 C ATOM 4 O GLY A 1 8.387 -5.720 -31.304 1.00 0.00 O ATOM 0 H1 GLY A 1 6.108 -8.258 -31.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.647 -7.653 -31.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.487 -8.910 -30.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.890 -6.791 -29.804 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.278 -7.502 -29.003 1.00 0.00 H new ATOM 8 N SER A 2 7.727 -4.874 -29.313 1.00 0.00 N ATOM 9 CA SER A 2 8.460 -3.630 -29.473 1.00 0.00 C ATOM 10 C SER A 2 8.305 -2.766 -28.220 1.00 0.00 C ATOM 11 O SER A 2 7.325 -2.897 -27.489 1.00 0.00 O ATOM 12 CB SER A 2 7.983 -2.863 -30.708 1.00 0.00 C ATOM 13 OG SER A 2 8.381 -1.496 -30.675 1.00 0.00 O ATOM 0 H SER A 2 7.206 -4.953 -28.440 1.00 0.00 H new ATOM 0 HA SER A 2 9.514 -3.871 -29.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.384 -3.335 -31.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.897 -2.923 -30.774 1.00 0.00 H new ATOM 0 HG SER A 2 8.059 -1.042 -31.481 1.00 0.00 H new ATOM 19 N SER A 3 9.288 -1.903 -28.010 1.00 0.00 N ATOM 20 CA SER A 3 9.273 -1.018 -26.857 1.00 0.00 C ATOM 21 C SER A 3 10.230 0.154 -27.085 1.00 0.00 C ATOM 22 O SER A 3 11.295 -0.015 -27.676 1.00 0.00 O ATOM 23 CB SER A 3 9.651 -1.771 -25.580 1.00 0.00 C ATOM 24 OG SER A 3 9.199 -1.095 -24.409 1.00 0.00 O ATOM 0 H SER A 3 10.100 -1.798 -28.618 1.00 0.00 H new ATOM 0 HA SER A 3 8.260 -0.634 -26.734 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.222 -2.773 -25.609 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.734 -1.889 -25.536 1.00 0.00 H new ATOM 0 HG SER A 3 9.458 -1.608 -23.615 1.00 0.00 H new ATOM 30 N GLY A 4 9.815 1.317 -26.604 1.00 0.00 N ATOM 31 CA GLY A 4 10.622 2.517 -26.748 1.00 0.00 C ATOM 32 C GLY A 4 9.878 3.744 -26.217 1.00 0.00 C ATOM 33 O GLY A 4 8.853 4.140 -26.770 1.00 0.00 O ATOM 0 H GLY A 4 8.931 1.454 -26.114 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.561 2.395 -26.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.874 2.666 -27.798 1.00 0.00 H new ATOM 37 N SER A 5 10.424 4.313 -25.152 1.00 0.00 N ATOM 38 CA SER A 5 9.826 5.487 -24.541 1.00 0.00 C ATOM 39 C SER A 5 10.918 6.398 -23.978 1.00 0.00 C ATOM 40 O SER A 5 11.697 5.983 -23.122 1.00 0.00 O ATOM 41 CB SER A 5 8.842 5.093 -23.437 1.00 0.00 C ATOM 42 OG SER A 5 8.508 6.197 -22.601 1.00 0.00 O ATOM 0 H SER A 5 11.275 3.982 -24.697 1.00 0.00 H new ATOM 0 HA SER A 5 9.272 6.027 -25.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.934 4.691 -23.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.276 4.298 -22.831 1.00 0.00 H new ATOM 0 HG SER A 5 7.877 5.905 -21.910 1.00 0.00 H new ATOM 48 N SER A 6 10.940 7.624 -24.482 1.00 0.00 N ATOM 49 CA SER A 6 11.924 8.597 -24.040 1.00 0.00 C ATOM 50 C SER A 6 11.404 10.015 -24.285 1.00 0.00 C ATOM 51 O SER A 6 10.829 10.296 -25.336 1.00 0.00 O ATOM 52 CB SER A 6 13.261 8.391 -24.753 1.00 0.00 C ATOM 53 OG SER A 6 13.095 8.203 -26.156 1.00 0.00 O ATOM 0 H SER A 6 10.292 7.965 -25.192 1.00 0.00 H new ATOM 0 HA SER A 6 12.088 8.457 -22.972 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.903 9.254 -24.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.768 7.525 -24.329 1.00 0.00 H new ATOM 0 HG SER A 6 13.972 8.077 -26.575 1.00 0.00 H new ATOM 59 N GLY A 7 11.624 10.871 -23.298 1.00 0.00 N ATOM 60 CA GLY A 7 11.186 12.253 -23.394 1.00 0.00 C ATOM 61 C GLY A 7 10.303 12.632 -22.204 1.00 0.00 C ATOM 62 O GLY A 7 9.121 12.292 -22.169 1.00 0.00 O ATOM 0 H GLY A 7 12.100 10.634 -22.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.054 12.911 -23.432 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.634 12.400 -24.322 1.00 0.00 H new ATOM 66 N ASP A 8 10.910 13.331 -21.256 1.00 0.00 N ATOM 67 CA ASP A 8 10.194 13.759 -20.067 1.00 0.00 C ATOM 68 C ASP A 8 10.871 15.004 -19.490 1.00 0.00 C ATOM 69 O ASP A 8 12.096 15.111 -19.502 1.00 0.00 O ATOM 70 CB ASP A 8 10.211 12.671 -18.991 1.00 0.00 C ATOM 71 CG ASP A 8 11.598 12.316 -18.452 1.00 0.00 C ATOM 72 OD1 ASP A 8 12.227 13.223 -17.866 1.00 0.00 O ATOM 73 OD2 ASP A 8 11.997 11.147 -18.638 1.00 0.00 O ATOM 0 H ASP A 8 11.890 13.612 -21.288 1.00 0.00 H new ATOM 0 HA ASP A 8 9.163 13.968 -20.352 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.586 12.995 -18.159 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.755 11.769 -19.400 1.00 0.00 H new ATOM 78 N ASP A 9 10.043 15.915 -18.998 1.00 0.00 N ATOM 79 CA ASP A 9 10.546 17.148 -18.418 1.00 0.00 C ATOM 80 C ASP A 9 9.851 17.397 -17.078 1.00 0.00 C ATOM 81 O ASP A 9 8.624 17.409 -17.004 1.00 0.00 O ATOM 82 CB ASP A 9 10.258 18.343 -19.329 1.00 0.00 C ATOM 83 CG ASP A 9 11.145 18.437 -20.573 1.00 0.00 C ATOM 84 OD1 ASP A 9 12.381 18.425 -20.390 1.00 0.00 O ATOM 85 OD2 ASP A 9 10.566 18.517 -21.678 1.00 0.00 O ATOM 0 H ASP A 9 9.027 15.823 -18.989 1.00 0.00 H new ATOM 0 HA ASP A 9 11.623 17.045 -18.288 1.00 0.00 H new ATOM 0 HB2 ASP A 9 9.216 18.296 -19.647 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.373 19.259 -18.749 1.00 0.00 H new ATOM 90 N ASN A 10 10.667 17.590 -16.052 1.00 0.00 N ATOM 91 CA ASN A 10 10.146 17.838 -14.718 1.00 0.00 C ATOM 92 C ASN A 10 9.426 19.188 -14.699 1.00 0.00 C ATOM 93 O ASN A 10 8.490 19.386 -13.927 1.00 0.00 O ATOM 94 CB ASN A 10 11.275 17.889 -13.687 1.00 0.00 C ATOM 95 CG ASN A 10 12.439 18.746 -14.190 1.00 0.00 C ATOM 96 OD1 ASN A 10 13.112 18.419 -15.153 1.00 0.00 O ATOM 97 ND2 ASN A 10 12.637 19.857 -13.486 1.00 0.00 N ATOM 0 H ASN A 10 11.685 17.580 -16.117 1.00 0.00 H new ATOM 0 HA ASN A 10 9.464 17.026 -14.466 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.898 18.296 -12.749 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.627 16.879 -13.477 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.390 20.496 -13.742 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.036 20.070 -12.690 1.00 0.00 H new ATOM 104 N GLU A 11 9.892 20.083 -15.559 1.00 0.00 N ATOM 105 CA GLU A 11 9.305 21.409 -15.650 1.00 0.00 C ATOM 106 C GLU A 11 7.794 21.306 -15.872 1.00 0.00 C ATOM 107 O GLU A 11 7.029 22.109 -15.340 1.00 0.00 O ATOM 108 CB GLU A 11 9.967 22.226 -16.761 1.00 0.00 C ATOM 109 CG GLU A 11 10.675 23.456 -16.188 1.00 0.00 C ATOM 110 CD GLU A 11 9.665 24.531 -15.782 1.00 0.00 C ATOM 111 OE1 GLU A 11 9.276 25.311 -16.677 1.00 0.00 O ATOM 112 OE2 GLU A 11 9.305 24.547 -14.585 1.00 0.00 O ATOM 0 H GLU A 11 10.669 19.915 -16.198 1.00 0.00 H new ATOM 0 HA GLU A 11 9.480 21.928 -14.708 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.685 21.605 -17.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.215 22.539 -17.485 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.271 23.167 -15.322 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.364 23.861 -16.929 1.00 0.00 H new ATOM 119 N ARG A 12 7.410 20.312 -16.659 1.00 0.00 N ATOM 120 CA ARG A 12 6.005 20.094 -16.957 1.00 0.00 C ATOM 121 C ARG A 12 5.344 19.284 -15.840 1.00 0.00 C ATOM 122 O ARG A 12 4.222 19.581 -15.433 1.00 0.00 O ATOM 123 CB ARG A 12 5.832 19.353 -18.285 1.00 0.00 C ATOM 124 CG ARG A 12 6.266 20.228 -19.462 1.00 0.00 C ATOM 125 CD ARG A 12 6.320 19.417 -20.758 1.00 0.00 C ATOM 126 NE ARG A 12 5.985 20.283 -21.911 1.00 0.00 N ATOM 127 CZ ARG A 12 4.754 20.743 -22.172 1.00 0.00 C ATOM 128 NH1 ARG A 12 3.733 20.422 -21.365 1.00 0.00 N ATOM 129 NH2 ARG A 12 4.543 21.523 -23.241 1.00 0.00 N ATOM 0 H ARG A 12 8.047 19.649 -17.099 1.00 0.00 H new ATOM 0 HA ARG A 12 5.528 21.071 -17.033 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.421 18.436 -18.273 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.789 19.061 -18.409 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.570 21.059 -19.578 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.246 20.659 -19.257 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.315 18.991 -20.889 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.621 18.583 -20.704 1.00 0.00 H new ATOM 0 HE ARG A 12 6.738 20.546 -22.546 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.893 19.827 -20.552 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.796 20.772 -21.564 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.320 21.766 -23.856 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.606 21.873 -23.440 1.00 0.00 H new ATOM 143 N LEU A 13 6.069 18.277 -15.374 1.00 0.00 N ATOM 144 CA LEU A 13 5.567 17.422 -14.312 1.00 0.00 C ATOM 145 C LEU A 13 5.118 18.290 -13.134 1.00 0.00 C ATOM 146 O LEU A 13 3.964 18.714 -13.076 1.00 0.00 O ATOM 147 CB LEU A 13 6.609 16.367 -13.935 1.00 0.00 C ATOM 148 CG LEU A 13 6.732 15.176 -14.888 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.998 14.368 -14.595 1.00 0.00 C ATOM 150 CD2 LEU A 13 5.474 14.307 -14.844 1.00 0.00 C ATOM 0 H LEU A 13 7.000 18.034 -15.713 1.00 0.00 H new ATOM 0 HA LEU A 13 4.693 16.866 -14.652 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.582 16.854 -13.866 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.371 15.989 -12.941 1.00 0.00 H new ATOM 0 HG LEU A 13 6.823 15.559 -15.904 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.061 13.528 -15.286 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.873 15.006 -14.718 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.962 13.994 -13.572 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.587 13.468 -15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.327 13.931 -13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.610 14.902 -15.139 1.00 0.00 H new ATOM 162 N SER A 14 6.052 18.529 -12.226 1.00 0.00 N ATOM 163 CA SER A 14 5.767 19.339 -11.054 1.00 0.00 C ATOM 164 C SER A 14 4.710 18.651 -10.187 1.00 0.00 C ATOM 165 O SER A 14 5.039 17.814 -9.347 1.00 0.00 O ATOM 166 CB SER A 14 5.297 20.739 -11.453 1.00 0.00 C ATOM 167 OG SER A 14 4.671 21.421 -10.369 1.00 0.00 O ATOM 0 H SER A 14 7.007 18.176 -12.278 1.00 0.00 H new ATOM 0 HA SER A 14 6.687 19.444 -10.479 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.149 21.321 -11.804 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.598 20.663 -12.286 1.00 0.00 H new ATOM 0 HG SER A 14 4.387 22.311 -10.663 1.00 0.00 H new ATOM 173 N LYS A 15 3.461 19.028 -10.421 1.00 0.00 N ATOM 174 CA LYS A 15 2.354 18.458 -9.673 1.00 0.00 C ATOM 175 C LYS A 15 2.340 16.941 -9.868 1.00 0.00 C ATOM 176 O LYS A 15 2.169 16.190 -8.909 1.00 0.00 O ATOM 177 CB LYS A 15 1.040 19.140 -10.058 1.00 0.00 C ATOM 178 CG LYS A 15 -0.098 18.700 -9.134 1.00 0.00 C ATOM 179 CD LYS A 15 -1.012 17.691 -9.832 1.00 0.00 C ATOM 180 CE LYS A 15 -2.482 18.087 -9.682 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.296 16.917 -9.282 1.00 0.00 N ATOM 0 H LYS A 15 3.192 19.722 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 15 2.481 18.641 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.159 20.222 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.789 18.897 -11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.315 18.256 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.678 19.570 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.754 17.632 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.854 16.699 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.578 18.876 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.854 18.491 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.291 17.203 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.218 16.176 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.951 16.549 -8.373 1.00 0.00 H new ATOM 195 N VAL A 16 2.522 16.535 -11.116 1.00 0.00 N ATOM 196 CA VAL A 16 2.532 15.121 -11.449 1.00 0.00 C ATOM 197 C VAL A 16 3.687 14.437 -10.715 1.00 0.00 C ATOM 198 O VAL A 16 3.480 13.458 -9.999 1.00 0.00 O ATOM 199 CB VAL A 16 2.599 14.941 -12.967 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.426 13.471 -13.353 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.560 15.818 -13.669 1.00 0.00 C ATOM 0 H VAL A 16 2.664 17.161 -11.909 1.00 0.00 H new ATOM 0 HA VAL A 16 1.609 14.645 -11.119 1.00 0.00 H new ATOM 0 HB VAL A 16 3.587 15.260 -13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.478 13.371 -14.437 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.219 12.879 -12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.458 13.114 -13.001 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.629 15.671 -14.747 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.562 15.543 -13.328 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.748 16.865 -13.433 1.00 0.00 H new ATOM 211 N GLU A 17 4.879 14.979 -10.918 1.00 0.00 N ATOM 212 CA GLU A 17 6.067 14.433 -10.284 1.00 0.00 C ATOM 213 C GLU A 17 5.766 14.048 -8.834 1.00 0.00 C ATOM 214 O GLU A 17 6.325 13.083 -8.316 1.00 0.00 O ATOM 215 CB GLU A 17 7.232 15.422 -10.358 1.00 0.00 C ATOM 216 CG GLU A 17 8.415 14.821 -11.120 1.00 0.00 C ATOM 217 CD GLU A 17 9.557 14.464 -10.166 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.004 15.384 -9.448 1.00 0.00 O ATOM 219 OE2 GLU A 17 9.956 13.280 -10.177 1.00 0.00 O ATOM 0 H GLU A 17 5.047 15.791 -11.513 1.00 0.00 H new ATOM 0 HA GLU A 17 6.362 13.534 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.905 16.338 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.545 15.696 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.092 13.929 -11.656 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.769 15.531 -11.868 1.00 0.00 H new ATOM 226 N LYS A 18 4.884 14.823 -8.221 1.00 0.00 N ATOM 227 CA LYS A 18 4.502 14.575 -6.841 1.00 0.00 C ATOM 228 C LYS A 18 3.659 13.300 -6.771 1.00 0.00 C ATOM 229 O LYS A 18 3.917 12.426 -5.945 1.00 0.00 O ATOM 230 CB LYS A 18 3.810 15.804 -6.248 1.00 0.00 C ATOM 231 CG LYS A 18 4.764 16.588 -5.345 1.00 0.00 C ATOM 232 CD LYS A 18 4.828 15.970 -3.947 1.00 0.00 C ATOM 233 CE LYS A 18 3.645 16.426 -3.090 1.00 0.00 C ATOM 234 NZ LYS A 18 3.886 17.786 -2.557 1.00 0.00 N ATOM 0 H LYS A 18 4.423 15.623 -8.654 1.00 0.00 H new ATOM 0 HA LYS A 18 5.385 14.407 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.453 16.448 -7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.936 15.493 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.760 16.601 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.434 17.624 -5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.827 14.883 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.763 16.253 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.732 16.419 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.494 15.728 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.123 18.040 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.798 17.806 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.906 18.468 -3.342 1.00 0.00 H new ATOM 248 N ALA A 19 2.668 13.236 -7.648 1.00 0.00 N ATOM 249 CA ALA A 19 1.785 12.082 -7.695 1.00 0.00 C ATOM 250 C ALA A 19 2.584 10.852 -8.129 1.00 0.00 C ATOM 251 O ALA A 19 2.500 9.799 -7.499 1.00 0.00 O ATOM 252 CB ALA A 19 0.612 12.376 -8.632 1.00 0.00 C ATOM 0 H ALA A 19 2.457 13.963 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 19 1.371 11.874 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.051 11.511 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.060 13.241 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.989 12.586 -9.633 1.00 0.00 H new ATOM 258 N ARG A 20 3.341 11.025 -9.202 1.00 0.00 N ATOM 259 CA ARG A 20 4.154 9.942 -9.728 1.00 0.00 C ATOM 260 C ARG A 20 4.937 9.270 -8.598 1.00 0.00 C ATOM 261 O ARG A 20 4.818 8.064 -8.388 1.00 0.00 O ATOM 262 CB ARG A 20 5.136 10.452 -10.785 1.00 0.00 C ATOM 263 CG ARG A 20 5.156 9.530 -12.005 1.00 0.00 C ATOM 264 CD ARG A 20 6.570 9.407 -12.577 1.00 0.00 C ATOM 265 NE ARG A 20 7.077 8.030 -12.382 1.00 0.00 N ATOM 266 CZ ARG A 20 8.232 7.577 -12.886 1.00 0.00 C ATOM 267 NH1 ARG A 20 9.007 8.388 -13.619 1.00 0.00 N ATOM 268 NH2 ARG A 20 8.612 6.312 -12.658 1.00 0.00 N ATOM 0 H ARG A 20 3.409 11.900 -9.722 1.00 0.00 H new ATOM 0 HA ARG A 20 3.483 9.219 -10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.855 11.460 -11.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.136 10.516 -10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.786 8.544 -11.726 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.483 9.918 -12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.565 9.654 -13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.233 10.120 -12.087 1.00 0.00 H new ATOM 0 HE ARG A 20 6.511 7.386 -11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.717 9.350 -13.793 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.887 8.043 -14.003 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.021 5.695 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.492 5.967 -13.042 1.00 0.00 H new ATOM 282 N GLN A 21 5.720 10.079 -7.900 1.00 0.00 N ATOM 283 CA GLN A 21 6.522 9.578 -6.797 1.00 0.00 C ATOM 284 C GLN A 21 5.631 8.879 -5.768 1.00 0.00 C ATOM 285 O GLN A 21 5.839 7.707 -5.457 1.00 0.00 O ATOM 286 CB GLN A 21 7.328 10.705 -6.149 1.00 0.00 C ATOM 287 CG GLN A 21 8.456 11.173 -7.071 1.00 0.00 C ATOM 288 CD GLN A 21 9.498 11.981 -6.295 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.181 12.855 -5.505 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.756 11.643 -6.565 1.00 0.00 N ATOM 0 H GLN A 21 5.816 11.079 -8.077 1.00 0.00 H new ATOM 0 HA GLN A 21 7.231 8.849 -7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.669 11.543 -5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.746 10.361 -5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.932 10.310 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.044 11.782 -7.876 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.952 10.901 -7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.525 12.125 -6.099 1.00 0.00 H new ATOM 299 N LEU A 22 4.658 9.627 -5.270 1.00 0.00 N ATOM 300 CA LEU A 22 3.735 9.093 -4.282 1.00 0.00 C ATOM 301 C LEU A 22 3.240 7.721 -4.743 1.00 0.00 C ATOM 302 O LEU A 22 3.342 6.741 -4.006 1.00 0.00 O ATOM 303 CB LEU A 22 2.610 10.092 -4.007 1.00 0.00 C ATOM 304 CG LEU A 22 3.011 11.366 -3.259 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.839 12.345 -3.176 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.580 11.035 -1.878 1.00 0.00 C ATOM 0 H LEU A 22 4.488 10.598 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 22 4.240 8.946 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.165 10.379 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.834 9.586 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 22 3.803 11.859 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.151 13.241 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.520 12.617 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.010 11.876 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.857 11.958 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.828 10.508 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.461 10.403 -1.989 1.00 0.00 H new ATOM 318 N ARG A 23 2.715 7.694 -5.958 1.00 0.00 N ATOM 319 CA ARG A 23 2.203 6.457 -6.525 1.00 0.00 C ATOM 320 C ARG A 23 3.176 5.308 -6.255 1.00 0.00 C ATOM 321 O ARG A 23 2.755 4.187 -5.974 1.00 0.00 O ATOM 322 CB ARG A 23 1.989 6.591 -8.034 1.00 0.00 C ATOM 323 CG ARG A 23 0.725 7.398 -8.339 1.00 0.00 C ATOM 324 CD ARG A 23 0.104 6.964 -9.668 1.00 0.00 C ATOM 325 NE ARG A 23 1.071 7.171 -10.770 1.00 0.00 N ATOM 326 CZ ARG A 23 0.725 7.307 -12.057 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.566 7.257 -12.413 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.670 7.491 -12.989 1.00 0.00 N ATOM 0 H ARG A 23 2.633 8.508 -6.567 1.00 0.00 H new ATOM 0 HA ARG A 23 1.245 6.245 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.853 7.078 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.910 5.601 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.001 7.265 -7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.968 8.460 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.184 5.914 -9.618 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.805 7.535 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 23 2.063 7.213 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.285 7.115 -11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.829 7.361 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.653 7.527 -12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.407 7.595 -13.969 1.00 0.00 H new ATOM 342 N GLU A 24 4.459 5.626 -6.350 1.00 0.00 N ATOM 343 CA GLU A 24 5.495 4.633 -6.120 1.00 0.00 C ATOM 344 C GLU A 24 5.536 4.243 -4.641 1.00 0.00 C ATOM 345 O GLU A 24 5.526 3.059 -4.307 1.00 0.00 O ATOM 346 CB GLU A 24 6.858 5.144 -6.591 1.00 0.00 C ATOM 347 CG GLU A 24 6.768 5.722 -8.004 1.00 0.00 C ATOM 348 CD GLU A 24 8.012 5.367 -8.822 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.278 4.152 -8.951 1.00 0.00 O ATOM 350 OE2 GLU A 24 8.668 6.318 -9.300 1.00 0.00 O ATOM 0 H GLU A 24 4.805 6.557 -6.583 1.00 0.00 H new ATOM 0 HA GLU A 24 5.256 3.744 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.221 5.908 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.582 4.329 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.878 5.337 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.660 6.805 -7.951 1.00 0.00 H new ATOM 357 N GLN A 25 5.583 5.261 -3.794 1.00 0.00 N ATOM 358 CA GLN A 25 5.626 5.039 -2.359 1.00 0.00 C ATOM 359 C GLN A 25 4.383 4.273 -1.902 1.00 0.00 C ATOM 360 O GLN A 25 4.491 3.274 -1.193 1.00 0.00 O ATOM 361 CB GLN A 25 5.762 6.363 -1.604 1.00 0.00 C ATOM 362 CG GLN A 25 7.197 6.568 -1.112 1.00 0.00 C ATOM 363 CD GLN A 25 7.214 7.104 0.321 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.301 6.363 1.287 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.127 8.428 0.404 1.00 0.00 N ATOM 0 H GLN A 25 5.592 6.242 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 25 6.505 4.436 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.476 7.189 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.078 6.374 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.739 5.623 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.715 7.265 -1.771 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.057 8.989 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.131 8.883 1.317 1.00 0.00 H new ATOM 374 N VAL A 26 3.231 4.771 -2.328 1.00 0.00 N ATOM 375 CA VAL A 26 1.968 4.145 -1.972 1.00 0.00 C ATOM 376 C VAL A 26 1.973 2.691 -2.447 1.00 0.00 C ATOM 377 O VAL A 26 1.768 1.774 -1.653 1.00 0.00 O ATOM 378 CB VAL A 26 0.803 4.957 -2.541 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.521 4.211 -2.369 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.738 6.346 -1.902 1.00 0.00 C ATOM 0 H VAL A 26 3.146 5.600 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 26 1.839 4.132 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 26 0.977 5.088 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.333 4.810 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.472 3.257 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.704 4.034 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.099 6.902 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.600 6.245 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.666 6.882 -2.100 1.00 0.00 H new ATOM 390 N ASN A 27 2.207 2.525 -3.740 1.00 0.00 N ATOM 391 CA ASN A 27 2.241 1.198 -4.331 1.00 0.00 C ATOM 392 C ASN A 27 3.100 0.279 -3.461 1.00 0.00 C ATOM 393 O ASN A 27 2.596 -0.679 -2.877 1.00 0.00 O ATOM 394 CB ASN A 27 2.855 1.234 -5.731 1.00 0.00 C ATOM 395 CG ASN A 27 3.108 -0.182 -6.255 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.203 -0.985 -6.412 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.386 -0.441 -6.517 1.00 0.00 N ATOM 0 H ASN A 27 2.375 3.288 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 27 1.216 0.832 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.188 1.764 -6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.792 1.790 -5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.658 -1.358 -6.872 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.094 0.277 -6.363 1.00 0.00 H new ATOM 404 N ASP A 28 4.383 0.603 -3.401 1.00 0.00 N ATOM 405 CA ASP A 28 5.318 -0.181 -2.612 1.00 0.00 C ATOM 406 C ASP A 28 4.795 -0.299 -1.179 1.00 0.00 C ATOM 407 O ASP A 28 4.748 -1.394 -0.619 1.00 0.00 O ATOM 408 CB ASP A 28 6.692 0.488 -2.559 1.00 0.00 C ATOM 409 CG ASP A 28 7.882 -0.470 -2.645 1.00 0.00 C ATOM 410 OD1 ASP A 28 7.716 -1.524 -3.296 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.930 -0.127 -2.057 1.00 0.00 O ATOM 0 H ASP A 28 4.798 1.399 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 28 5.413 -1.162 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.762 1.205 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.768 1.055 -1.631 1.00 0.00 H new ATOM 416 N LEU A 29 4.415 0.843 -0.626 1.00 0.00 N ATOM 417 CA LEU A 29 3.897 0.882 0.732 1.00 0.00 C ATOM 418 C LEU A 29 2.966 -0.312 0.952 1.00 0.00 C ATOM 419 O LEU A 29 3.251 -1.183 1.772 1.00 0.00 O ATOM 420 CB LEU A 29 3.240 2.234 1.016 1.00 0.00 C ATOM 421 CG LEU A 29 2.137 2.234 2.076 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.687 1.812 3.440 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.434 3.592 2.137 1.00 0.00 C ATOM 0 H LEU A 29 4.455 1.749 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 29 4.710 0.791 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.015 2.934 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.821 2.615 0.085 1.00 0.00 H new ATOM 0 HG LEU A 29 1.388 1.496 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.882 1.821 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.103 0.807 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.468 2.507 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.655 3.564 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.159 4.366 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.987 3.814 1.168 1.00 0.00 H new ATOM 435 N PHE A 30 1.872 -0.315 0.204 1.00 0.00 N ATOM 436 CA PHE A 30 0.898 -1.388 0.308 1.00 0.00 C ATOM 437 C PHE A 30 1.558 -2.751 0.091 1.00 0.00 C ATOM 438 O PHE A 30 1.367 -3.671 0.886 1.00 0.00 O ATOM 439 CB PHE A 30 -0.140 -1.157 -0.793 1.00 0.00 C ATOM 440 CG PHE A 30 -1.026 0.070 -0.565 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.447 0.381 0.690 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.391 0.849 -1.618 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.269 1.520 0.901 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.213 1.988 -1.407 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.634 2.299 -0.152 1.00 0.00 C ATOM 0 H PHE A 30 1.639 0.408 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 30 0.447 -1.386 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.376 -1.048 -1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.774 -2.040 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.156 -0.238 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.056 0.602 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.604 1.767 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.504 2.607 -2.243 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.259 3.165 0.009 1.00 0.00 H new ATOM 455 N SER A 31 2.322 -2.838 -0.988 1.00 0.00 N ATOM 456 CA SER A 31 3.012 -4.074 -1.319 1.00 0.00 C ATOM 457 C SER A 31 3.827 -4.556 -0.117 1.00 0.00 C ATOM 458 O SER A 31 3.771 -5.730 0.244 1.00 0.00 O ATOM 459 CB SER A 31 3.920 -3.888 -2.536 1.00 0.00 C ATOM 460 OG SER A 31 3.352 -3.002 -3.496 1.00 0.00 O ATOM 0 H SER A 31 2.479 -2.073 -1.644 1.00 0.00 H new ATOM 0 HA SER A 31 2.265 -4.827 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.886 -3.500 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.105 -4.856 -3.001 1.00 0.00 H new ATOM 0 HG SER A 31 3.459 -2.077 -3.191 1.00 0.00 H new ATOM 466 N ARG A 32 4.564 -3.624 0.470 1.00 0.00 N ATOM 467 CA ARG A 32 5.390 -3.940 1.623 1.00 0.00 C ATOM 468 C ARG A 32 4.516 -4.409 2.788 1.00 0.00 C ATOM 469 O ARG A 32 4.639 -5.546 3.242 1.00 0.00 O ATOM 470 CB ARG A 32 6.207 -2.724 2.065 1.00 0.00 C ATOM 471 CG ARG A 32 7.707 -2.997 1.941 1.00 0.00 C ATOM 472 CD ARG A 32 8.456 -2.519 3.186 1.00 0.00 C ATOM 473 NE ARG A 32 9.624 -3.392 3.440 1.00 0.00 N ATOM 474 CZ ARG A 32 9.540 -4.702 3.709 1.00 0.00 C ATOM 475 NH1 ARG A 32 8.341 -5.299 3.761 1.00 0.00 N ATOM 476 NH2 ARG A 32 10.653 -5.415 3.926 1.00 0.00 N ATOM 0 H ARG A 32 4.606 -2.650 0.169 1.00 0.00 H new ATOM 0 HA ARG A 32 6.074 -4.737 1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.939 -1.861 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.963 -2.474 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.875 -4.064 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.101 -2.492 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.784 -1.489 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.789 -2.530 4.048 1.00 0.00 H new ATOM 0 HE ARG A 32 10.552 -2.970 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.493 -4.756 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.276 -6.296 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.565 -4.961 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.588 -6.412 4.131 1.00 0.00 H new ATOM 490 N LYS A 33 3.653 -3.511 3.239 1.00 0.00 N ATOM 491 CA LYS A 33 2.760 -3.819 4.342 1.00 0.00 C ATOM 492 C LYS A 33 2.026 -5.129 4.048 1.00 0.00 C ATOM 493 O LYS A 33 1.777 -5.922 4.954 1.00 0.00 O ATOM 494 CB LYS A 33 1.826 -2.640 4.621 1.00 0.00 C ATOM 495 CG LYS A 33 2.606 -1.435 5.152 1.00 0.00 C ATOM 496 CD LYS A 33 3.019 -1.649 6.610 1.00 0.00 C ATOM 497 CE LYS A 33 3.934 -0.522 7.091 1.00 0.00 C ATOM 498 NZ LYS A 33 4.983 -1.054 7.990 1.00 0.00 N ATOM 0 H LYS A 33 3.553 -2.569 2.860 1.00 0.00 H new ATOM 0 HA LYS A 33 3.327 -3.970 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.301 -2.363 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.068 -2.936 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.493 -1.272 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.994 -0.537 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.131 -1.695 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.531 -2.606 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.396 -0.030 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.347 0.233 7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.596 -0.276 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.538 -1.503 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.554 -1.758 7.479 1.00 0.00 H new ATOM 512 N PHE A 34 1.699 -5.314 2.777 1.00 0.00 N ATOM 513 CA PHE A 34 0.999 -6.514 2.352 1.00 0.00 C ATOM 514 C PHE A 34 1.875 -7.755 2.534 1.00 0.00 C ATOM 515 O PHE A 34 1.365 -8.861 2.702 1.00 0.00 O ATOM 516 CB PHE A 34 0.680 -6.343 0.865 1.00 0.00 C ATOM 517 CG PHE A 34 0.144 -7.609 0.194 1.00 0.00 C ATOM 518 CD1 PHE A 34 -1.064 -8.114 0.561 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.876 -8.230 -0.770 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.561 -9.289 -0.061 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.379 -9.405 -1.393 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.829 -9.910 -1.025 1.00 0.00 C ATOM 0 H PHE A 34 1.906 -4.653 2.028 1.00 0.00 H new ATOM 0 HA PHE A 34 0.097 -6.649 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.054 -5.545 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.583 -6.023 0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.645 -7.621 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.836 -7.829 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.520 -9.690 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.960 -9.898 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.207 -10.804 -1.498 1.00 0.00 H new ATOM 532 N GLY A 35 3.180 -7.528 2.496 1.00 0.00 N ATOM 533 CA GLY A 35 4.133 -8.614 2.655 1.00 0.00 C ATOM 534 C GLY A 35 3.883 -9.377 3.958 1.00 0.00 C ATOM 535 O GLY A 35 3.587 -10.571 3.935 1.00 0.00 O ATOM 0 H GLY A 35 3.600 -6.609 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.056 -9.297 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.148 -8.216 2.652 1.00 0.00 H new ATOM 539 N GLU A 36 4.011 -8.656 5.062 1.00 0.00 N ATOM 540 CA GLU A 36 3.802 -9.250 6.372 1.00 0.00 C ATOM 541 C GLU A 36 2.496 -10.048 6.391 1.00 0.00 C ATOM 542 O GLU A 36 2.408 -11.085 7.046 1.00 0.00 O ATOM 543 CB GLU A 36 3.808 -8.181 7.466 1.00 0.00 C ATOM 544 CG GLU A 36 2.968 -6.971 7.054 1.00 0.00 C ATOM 545 CD GLU A 36 2.735 -6.035 8.242 1.00 0.00 C ATOM 546 OE1 GLU A 36 1.898 -6.400 9.096 1.00 0.00 O ATOM 547 OE2 GLU A 36 3.398 -4.976 8.269 1.00 0.00 O ATOM 0 H GLU A 36 4.257 -7.666 5.077 1.00 0.00 H new ATOM 0 HA GLU A 36 4.626 -9.934 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.417 -8.601 8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.832 -7.866 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.472 -6.430 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.010 -7.307 6.658 1.00 0.00 H new ATOM 554 N ALA A 37 1.515 -9.533 5.665 1.00 0.00 N ATOM 555 CA ALA A 37 0.218 -10.184 5.591 1.00 0.00 C ATOM 556 C ALA A 37 0.400 -11.617 5.087 1.00 0.00 C ATOM 557 O ALA A 37 -0.422 -12.487 5.370 1.00 0.00 O ATOM 558 CB ALA A 37 -0.714 -9.364 4.695 1.00 0.00 C ATOM 0 H ALA A 37 1.592 -8.672 5.123 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.242 -10.238 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.687 -9.852 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.833 -8.364 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.286 -9.292 3.695 1.00 0.00 H new ATOM 564 N ILE A 38 1.481 -11.817 4.348 1.00 0.00 N ATOM 565 CA ILE A 38 1.781 -13.130 3.802 1.00 0.00 C ATOM 566 C ILE A 38 3.100 -13.634 4.392 1.00 0.00 C ATOM 567 O ILE A 38 3.733 -14.528 3.833 1.00 0.00 O ATOM 568 CB ILE A 38 1.768 -13.090 2.272 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.390 -11.792 1.752 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.353 -13.305 1.730 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.290 -11.708 0.228 1.00 0.00 C ATOM 0 H ILE A 38 2.160 -11.092 4.114 1.00 0.00 H new ATOM 0 HA ILE A 38 1.010 -13.846 4.086 1.00 0.00 H new ATOM 0 HB ILE A 38 2.382 -13.912 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.884 -10.937 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.436 -11.739 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.372 -13.272 0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.018 -14.276 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.304 -12.520 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.739 -10.776 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.817 -12.551 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.242 -11.737 -0.070 1.00 0.00 H new ATOM 583 N GLY A 39 3.475 -13.038 5.514 1.00 0.00 N ATOM 584 CA GLY A 39 4.706 -13.416 6.187 1.00 0.00 C ATOM 585 C GLY A 39 5.891 -13.382 5.219 1.00 0.00 C ATOM 586 O GLY A 39 6.928 -13.992 5.480 1.00 0.00 O ATOM 0 H GLY A 39 2.948 -12.296 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.892 -12.738 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.603 -14.417 6.607 1.00 0.00 H new ATOM 590 N MET A 40 5.699 -12.663 4.123 1.00 0.00 N ATOM 591 CA MET A 40 6.739 -12.542 3.116 1.00 0.00 C ATOM 592 C MET A 40 7.808 -11.536 3.549 1.00 0.00 C ATOM 593 O MET A 40 7.507 -10.564 4.241 1.00 0.00 O ATOM 594 CB MET A 40 6.118 -12.089 1.793 1.00 0.00 C ATOM 595 CG MET A 40 5.183 -13.161 1.231 1.00 0.00 C ATOM 596 SD MET A 40 6.135 -14.472 0.483 1.00 0.00 S ATOM 597 CE MET A 40 5.450 -14.452 -1.165 1.00 0.00 C ATOM 0 H MET A 40 4.839 -12.158 3.910 1.00 0.00 H new ATOM 0 HA MET A 40 7.213 -13.516 2.991 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.565 -11.162 1.945 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.906 -11.875 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.558 -13.564 2.028 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.513 -12.720 0.493 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.204 -14.790 -1.876 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.587 -15.116 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.141 -13.438 -1.418 1.00 0.00 H new ATOM 607 N GLY A 41 9.034 -11.804 3.125 1.00 0.00 N ATOM 608 CA GLY A 41 10.149 -10.935 3.461 1.00 0.00 C ATOM 609 C GLY A 41 10.395 -9.907 2.355 1.00 0.00 C ATOM 610 O GLY A 41 11.533 -9.503 2.121 1.00 0.00 O ATOM 0 H GLY A 41 9.280 -12.611 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.944 -10.422 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.048 -11.533 3.613 1.00 0.00 H new ATOM 614 N PHE A 42 9.311 -9.515 1.703 1.00 0.00 N ATOM 615 CA PHE A 42 9.395 -8.542 0.627 1.00 0.00 C ATOM 616 C PHE A 42 8.006 -8.027 0.244 1.00 0.00 C ATOM 617 O PHE A 42 6.996 -8.636 0.593 1.00 0.00 O ATOM 618 CB PHE A 42 10.010 -9.259 -0.577 1.00 0.00 C ATOM 619 CG PHE A 42 9.488 -10.682 -0.787 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.163 -10.894 -1.009 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.348 -11.734 -0.752 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.678 -12.215 -1.204 1.00 0.00 C ATOM 623 CE2 PHE A 42 9.864 -13.055 -0.947 1.00 0.00 C ATOM 624 CZ PHE A 42 8.539 -13.267 -1.169 1.00 0.00 C ATOM 0 H PHE A 42 8.369 -9.854 1.899 1.00 0.00 H new ATOM 0 HA PHE A 42 9.995 -7.689 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.812 -8.674 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.092 -9.295 -0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.480 -10.058 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.400 -11.565 -0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.626 -12.384 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.548 -13.891 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.171 -14.271 -1.318 1.00 0.00 H new ATOM 634 N PRO A 43 8.000 -6.881 -0.489 1.00 0.00 N ATOM 635 CA PRO A 43 6.752 -6.277 -0.923 1.00 0.00 C ATOM 636 C PRO A 43 6.138 -7.062 -2.083 1.00 0.00 C ATOM 637 O PRO A 43 6.742 -7.178 -3.148 1.00 0.00 O ATOM 638 CB PRO A 43 7.116 -4.850 -1.299 1.00 0.00 C ATOM 639 CG PRO A 43 8.622 -4.844 -1.504 1.00 0.00 C ATOM 640 CD PRO A 43 9.177 -6.133 -0.921 1.00 0.00 C ATOM 0 HA PRO A 43 5.987 -6.288 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.597 -4.541 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.826 -4.153 -0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.863 -4.770 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.070 -3.979 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.749 -6.689 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.848 -5.933 -0.086 1.00 0.00 H new ATOM 648 N VAL A 44 4.943 -7.582 -1.838 1.00 0.00 N ATOM 649 CA VAL A 44 4.240 -8.353 -2.849 1.00 0.00 C ATOM 650 C VAL A 44 3.117 -7.501 -3.444 1.00 0.00 C ATOM 651 O VAL A 44 2.661 -6.545 -2.819 1.00 0.00 O ATOM 652 CB VAL A 44 3.740 -9.668 -2.249 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.175 -10.586 -3.335 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.849 -10.369 -1.461 1.00 0.00 C ATOM 0 H VAL A 44 4.444 -7.484 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 44 4.913 -8.619 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 44 2.933 -9.434 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.826 -11.514 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.342 -10.090 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.954 -10.809 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.466 -11.301 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.686 -10.584 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.185 -9.721 -0.651 1.00 0.00 H new ATOM 664 N LYS A 45 2.704 -7.879 -4.644 1.00 0.00 N ATOM 665 CA LYS A 45 1.642 -7.162 -5.330 1.00 0.00 C ATOM 666 C LYS A 45 0.493 -6.904 -4.354 1.00 0.00 C ATOM 667 O LYS A 45 0.454 -7.482 -3.269 1.00 0.00 O ATOM 668 CB LYS A 45 1.218 -7.914 -6.594 1.00 0.00 C ATOM 669 CG LYS A 45 0.267 -9.063 -6.256 1.00 0.00 C ATOM 670 CD LYS A 45 0.561 -10.291 -7.120 1.00 0.00 C ATOM 671 CE LYS A 45 -0.707 -10.788 -7.816 1.00 0.00 C ATOM 672 NZ LYS A 45 -1.061 -9.899 -8.945 1.00 0.00 N ATOM 0 H LYS A 45 3.085 -8.672 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 45 1.997 -6.189 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.731 -7.226 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.100 -8.305 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.366 -9.323 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.764 -8.744 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.316 -10.043 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.975 -11.086 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.555 -11.804 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.530 -10.825 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.924 -10.251 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.226 -8.936 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.282 -9.885 -9.633 1.00 0.00 H new ATOM 686 N VAL A 46 -0.415 -6.035 -4.775 1.00 0.00 N ATOM 687 CA VAL A 46 -1.562 -5.693 -3.951 1.00 0.00 C ATOM 688 C VAL A 46 -2.837 -5.803 -4.789 1.00 0.00 C ATOM 689 O VAL A 46 -3.081 -4.975 -5.666 1.00 0.00 O ATOM 690 CB VAL A 46 -1.368 -4.306 -3.335 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.636 -3.847 -2.611 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.162 -4.287 -2.394 1.00 0.00 C ATOM 0 H VAL A 46 -0.379 -5.558 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.658 -6.392 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.171 -3.604 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.472 -2.858 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.463 -3.803 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.876 -4.552 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.047 -3.289 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.316 -5.007 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.738 -4.551 -2.950 1.00 0.00 H new ATOM 702 N PRO A 47 -3.637 -6.859 -4.482 1.00 0.00 N ATOM 703 CA PRO A 47 -4.882 -7.087 -5.197 1.00 0.00 C ATOM 704 C PRO A 47 -5.959 -6.096 -4.753 1.00 0.00 C ATOM 705 O PRO A 47 -6.980 -6.493 -4.193 1.00 0.00 O ATOM 706 CB PRO A 47 -5.246 -8.533 -4.901 1.00 0.00 C ATOM 707 CG PRO A 47 -4.448 -8.919 -3.666 1.00 0.00 C ATOM 708 CD PRO A 47 -3.380 -7.859 -3.450 1.00 0.00 C ATOM 0 HA PRO A 47 -4.786 -6.926 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.316 -8.638 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.998 -9.179 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.101 -8.986 -2.796 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.991 -9.900 -3.798 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.449 -7.425 -2.452 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.379 -8.280 -3.547 1.00 0.00 H new ATOM 716 N TYR A 48 -5.696 -4.825 -5.019 1.00 0.00 N ATOM 717 CA TYR A 48 -6.630 -3.775 -4.654 1.00 0.00 C ATOM 718 C TYR A 48 -8.057 -4.143 -5.065 1.00 0.00 C ATOM 719 O TYR A 48 -8.990 -4.004 -4.274 1.00 0.00 O ATOM 720 CB TYR A 48 -6.193 -2.532 -5.432 1.00 0.00 C ATOM 721 CG TYR A 48 -4.719 -2.167 -5.245 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.279 -1.675 -4.033 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.830 -2.330 -6.288 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.891 -1.332 -3.857 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.443 -1.987 -6.112 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.042 -1.505 -4.906 1.00 0.00 C ATOM 727 OH TYR A 48 -0.732 -1.180 -4.739 1.00 0.00 O ATOM 0 H TYR A 48 -4.848 -4.499 -5.483 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.626 -3.616 -3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.385 -2.694 -6.493 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.808 -1.687 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.975 -1.547 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.175 -2.715 -7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.533 -0.946 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.737 -2.110 -6.920 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.243 -1.356 -5.570 1.00 0.00 H new ATOM 737 N ARG A 49 -8.183 -4.606 -6.300 1.00 0.00 N ATOM 738 CA ARG A 49 -9.481 -4.995 -6.825 1.00 0.00 C ATOM 739 C ARG A 49 -10.088 -6.108 -5.968 1.00 0.00 C ATOM 740 O ARG A 49 -11.094 -5.897 -5.293 1.00 0.00 O ATOM 741 CB ARG A 49 -9.367 -5.479 -8.272 1.00 0.00 C ATOM 742 CG ARG A 49 -10.728 -5.922 -8.810 1.00 0.00 C ATOM 743 CD ARG A 49 -11.097 -5.145 -10.076 1.00 0.00 C ATOM 744 NE ARG A 49 -11.540 -6.081 -11.133 1.00 0.00 N ATOM 745 CZ ARG A 49 -11.730 -5.733 -12.413 1.00 0.00 C ATOM 746 NH1 ARG A 49 -11.516 -4.468 -12.802 1.00 0.00 N ATOM 747 NH2 ARG A 49 -12.134 -6.649 -13.304 1.00 0.00 N ATOM 0 H ARG A 49 -7.407 -4.721 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.127 -4.117 -6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.968 -4.680 -8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.662 -6.309 -8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.707 -6.990 -9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.492 -5.767 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.890 -4.430 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.238 -4.571 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.711 -7.052 -10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.209 -3.771 -12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.660 -4.203 -13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.297 -7.611 -13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.279 -6.384 -14.278 1.00 0.00 H new ATOM 761 N LYS A 50 -9.450 -7.268 -6.023 1.00 0.00 N ATOM 762 CA LYS A 50 -9.914 -8.414 -5.260 1.00 0.00 C ATOM 763 C LYS A 50 -10.251 -7.970 -3.835 1.00 0.00 C ATOM 764 O LYS A 50 -11.223 -8.443 -3.247 1.00 0.00 O ATOM 765 CB LYS A 50 -8.892 -9.551 -5.325 1.00 0.00 C ATOM 766 CG LYS A 50 -9.394 -10.689 -6.216 1.00 0.00 C ATOM 767 CD LYS A 50 -8.473 -11.907 -6.121 1.00 0.00 C ATOM 768 CE LYS A 50 -9.283 -13.199 -6.003 1.00 0.00 C ATOM 769 NZ LYS A 50 -9.635 -13.714 -7.345 1.00 0.00 N ATOM 0 H LYS A 50 -8.616 -7.439 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.830 -8.815 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.946 -9.172 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.698 -9.929 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.405 -10.969 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.448 -10.349 -7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.834 -11.954 -7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.817 -11.805 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.707 -13.948 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.191 -13.015 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.185 -14.591 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.203 -13.005 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.765 -13.908 -7.881 1.00 0.00 H new ATOM 783 N ILE A 51 -9.429 -7.068 -3.321 1.00 0.00 N ATOM 784 CA ILE A 51 -9.627 -6.555 -1.976 1.00 0.00 C ATOM 785 C ILE A 51 -10.844 -5.627 -1.962 1.00 0.00 C ATOM 786 O ILE A 51 -11.619 -5.628 -1.008 1.00 0.00 O ATOM 787 CB ILE A 51 -8.346 -5.897 -1.459 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.454 -6.917 -0.749 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.668 -4.698 -0.565 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.017 -6.844 -1.269 1.00 0.00 C ATOM 0 H ILE A 51 -8.624 -6.679 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.840 -7.371 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.786 -5.520 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.466 -6.731 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.850 -7.921 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.740 -4.249 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.234 -3.961 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.260 -5.029 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.404 -7.579 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.006 -7.055 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.616 -5.846 -1.092 1.00 0.00 H new ATOM 802 N THR A 52 -10.973 -4.857 -3.033 1.00 0.00 N ATOM 803 CA THR A 52 -12.082 -3.927 -3.157 1.00 0.00 C ATOM 804 C THR A 52 -13.412 -4.682 -3.175 1.00 0.00 C ATOM 805 O THR A 52 -14.241 -4.507 -2.282 1.00 0.00 O ATOM 806 CB THR A 52 -11.848 -3.077 -4.408 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.682 -1.755 -3.903 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.093 -2.984 -5.293 1.00 0.00 C ATOM 0 H THR A 52 -10.327 -4.859 -3.823 1.00 0.00 H new ATOM 0 HA THR A 52 -12.136 -3.259 -2.298 1.00 0.00 H new ATOM 0 HB THR A 52 -11.023 -3.497 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.524 -1.138 -4.648 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.873 -2.370 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.385 -3.983 -5.616 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.908 -2.532 -4.728 1.00 0.00 H new ATOM 816 N ILE A 53 -13.575 -5.505 -4.200 1.00 0.00 N ATOM 817 CA ILE A 53 -14.791 -6.287 -4.346 1.00 0.00 C ATOM 818 C ILE A 53 -15.148 -6.923 -3.000 1.00 0.00 C ATOM 819 O ILE A 53 -16.266 -6.768 -2.514 1.00 0.00 O ATOM 820 CB ILE A 53 -14.644 -7.298 -5.484 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.408 -8.177 -5.281 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.631 -6.596 -6.843 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.076 -8.959 -6.553 1.00 0.00 C ATOM 0 H ILE A 53 -12.885 -5.647 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.626 -5.645 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.513 -7.956 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.558 -7.556 -5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.582 -8.871 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.525 -7.338 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.564 -6.050 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.794 -5.899 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.194 -9.575 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.919 -9.597 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.879 -8.262 -7.368 1.00 0.00 H new ATOM 835 N ASN A 54 -14.175 -7.625 -2.438 1.00 0.00 N ATOM 836 CA ASN A 54 -14.372 -8.285 -1.158 1.00 0.00 C ATOM 837 C ASN A 54 -13.024 -8.424 -0.448 1.00 0.00 C ATOM 838 O ASN A 54 -12.106 -9.056 -0.968 1.00 0.00 O ATOM 839 CB ASN A 54 -14.955 -9.687 -1.346 1.00 0.00 C ATOM 840 CG ASN A 54 -13.918 -10.635 -1.953 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.081 -11.201 -1.269 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.020 -10.775 -3.271 1.00 0.00 N ATOM 0 H ASN A 54 -13.248 -7.751 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.064 -7.682 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.291 -10.077 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -15.830 -9.637 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.374 -11.386 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.745 -10.271 -3.783 1.00 0.00 H new ATOM 849 N PRO A 55 -12.946 -7.807 0.762 1.00 0.00 N ATOM 850 CA PRO A 55 -11.725 -7.855 1.549 1.00 0.00 C ATOM 851 C PRO A 55 -11.547 -9.229 2.199 1.00 0.00 C ATOM 852 O PRO A 55 -10.421 -9.681 2.405 1.00 0.00 O ATOM 853 CB PRO A 55 -11.866 -6.732 2.563 1.00 0.00 C ATOM 854 CG PRO A 55 -13.348 -6.397 2.611 1.00 0.00 C ATOM 855 CD PRO A 55 -14.012 -7.049 1.409 1.00 0.00 C ATOM 0 HA PRO A 55 -10.829 -7.717 0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.504 -7.043 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.279 -5.863 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.792 -6.762 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.496 -5.317 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.831 -7.700 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.432 -6.302 0.735 1.00 0.00 H new ATOM 863 N GLY A 56 -12.674 -9.854 2.505 1.00 0.00 N ATOM 864 CA GLY A 56 -12.656 -11.167 3.127 1.00 0.00 C ATOM 865 C GLY A 56 -11.272 -11.809 3.014 1.00 0.00 C ATOM 866 O GLY A 56 -10.616 -12.061 4.024 1.00 0.00 O ATOM 0 H GLY A 56 -13.606 -9.476 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.936 -11.080 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.398 -11.809 2.652 1.00 0.00 H new ATOM 870 N CYS A 57 -10.869 -12.056 1.776 1.00 0.00 N ATOM 871 CA CYS A 57 -9.575 -12.663 1.518 1.00 0.00 C ATOM 872 C CYS A 57 -8.501 -11.817 2.205 1.00 0.00 C ATOM 873 O CYS A 57 -7.968 -12.206 3.243 1.00 0.00 O ATOM 874 CB CYS A 57 -9.310 -12.815 0.019 1.00 0.00 C ATOM 875 SG CYS A 57 -10.487 -14.013 -0.707 1.00 0.00 S ATOM 0 H CYS A 57 -11.416 -11.847 0.941 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.557 -13.673 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.410 -11.849 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.287 -13.153 -0.145 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.254 -14.133 -1.980 1.00 0.00 H new ATOM 881 N VAL A 58 -8.215 -10.675 1.597 1.00 0.00 N ATOM 882 CA VAL A 58 -7.214 -9.770 2.137 1.00 0.00 C ATOM 883 C VAL A 58 -7.893 -8.474 2.583 1.00 0.00 C ATOM 884 O VAL A 58 -8.809 -7.988 1.921 1.00 0.00 O ATOM 885 CB VAL A 58 -6.106 -9.541 1.107 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.202 -8.379 1.524 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.291 -10.817 0.886 1.00 0.00 C ATOM 0 H VAL A 58 -8.659 -10.356 0.736 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.738 -10.206 3.015 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.578 -9.276 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.423 -8.237 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.795 -7.468 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.743 -8.603 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.510 -10.627 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.835 -11.125 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.946 -11.609 0.524 1.00 0.00 H new ATOM 897 N VAL A 59 -7.417 -7.949 3.703 1.00 0.00 N ATOM 898 CA VAL A 59 -7.966 -6.719 4.246 1.00 0.00 C ATOM 899 C VAL A 59 -6.900 -5.623 4.193 1.00 0.00 C ATOM 900 O VAL A 59 -5.742 -5.893 3.880 1.00 0.00 O ATOM 901 CB VAL A 59 -8.504 -6.963 5.657 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.306 -5.758 6.154 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.343 -8.241 5.711 1.00 0.00 C ATOM 0 H VAL A 59 -6.657 -8.354 4.249 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.811 -6.380 3.646 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.651 -7.095 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.677 -5.958 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.665 -4.877 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.148 -5.580 5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.713 -8.391 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.186 -8.152 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.728 -9.093 5.420 1.00 0.00 H new ATOM 913 N VAL A 60 -7.329 -4.408 4.505 1.00 0.00 N ATOM 914 CA VAL A 60 -6.426 -3.270 4.497 1.00 0.00 C ATOM 915 C VAL A 60 -6.865 -2.269 5.567 1.00 0.00 C ATOM 916 O VAL A 60 -7.941 -1.680 5.466 1.00 0.00 O ATOM 917 CB VAL A 60 -6.365 -2.660 3.095 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.626 -1.321 3.112 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.720 -3.630 2.103 1.00 0.00 C ATOM 0 H VAL A 60 -8.290 -4.188 4.765 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.412 -3.585 4.744 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.387 -2.474 2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.597 -0.909 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.146 -0.627 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.608 -1.472 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.689 -3.172 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.706 -3.862 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.305 -4.548 2.059 1.00 0.00 H new ATOM 929 N ASP A 61 -6.011 -2.105 6.566 1.00 0.00 N ATOM 930 CA ASP A 61 -6.298 -1.185 7.653 1.00 0.00 C ATOM 931 C ASP A 61 -5.311 -0.016 7.599 1.00 0.00 C ATOM 932 O ASP A 61 -4.512 0.084 6.670 1.00 0.00 O ATOM 933 CB ASP A 61 -6.144 -1.872 9.011 1.00 0.00 C ATOM 934 CG ASP A 61 -7.419 -2.515 9.559 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.210 -1.770 10.177 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.574 -3.737 9.347 1.00 0.00 O ATOM 0 H ASP A 61 -5.119 -2.594 6.646 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.325 -0.838 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.375 -2.640 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.785 -1.139 9.734 1.00 0.00 H new ATOM 941 N GLY A 62 -5.401 0.838 8.608 1.00 0.00 N ATOM 942 CA GLY A 62 -4.526 1.996 8.688 1.00 0.00 C ATOM 943 C GLY A 62 -5.014 3.116 7.767 1.00 0.00 C ATOM 944 O GLY A 62 -4.440 4.204 7.749 1.00 0.00 O ATOM 0 H GLY A 62 -6.066 0.752 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.487 2.357 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.511 1.709 8.412 1.00 0.00 H new ATOM 948 N MET A 63 -6.069 2.812 7.025 1.00 0.00 N ATOM 949 CA MET A 63 -6.641 3.779 6.105 1.00 0.00 C ATOM 950 C MET A 63 -7.125 5.025 6.849 1.00 0.00 C ATOM 951 O MET A 63 -7.708 4.922 7.927 1.00 0.00 O ATOM 952 CB MET A 63 -7.815 3.143 5.359 1.00 0.00 C ATOM 953 CG MET A 63 -7.353 2.516 4.041 1.00 0.00 C ATOM 954 SD MET A 63 -8.074 3.392 2.663 1.00 0.00 S ATOM 955 CE MET A 63 -6.592 3.869 1.790 1.00 0.00 C ATOM 0 H MET A 63 -6.542 1.909 7.043 1.00 0.00 H new ATOM 0 HA MET A 63 -5.868 4.078 5.397 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.279 2.381 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.576 3.898 5.160 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.266 2.549 3.975 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.643 1.466 4.007 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.863 4.383 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.999 4.535 2.417 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.008 2.980 1.552 1.00 0.00 H new ATOM 965 N PRO A 64 -6.857 6.206 6.229 1.00 0.00 N ATOM 966 CA PRO A 64 -7.258 7.470 6.822 1.00 0.00 C ATOM 967 C PRO A 64 -8.765 7.693 6.671 1.00 0.00 C ATOM 968 O PRO A 64 -9.446 6.921 5.997 1.00 0.00 O ATOM 969 CB PRO A 64 -6.428 8.522 6.104 1.00 0.00 C ATOM 970 CG PRO A 64 -5.937 7.864 4.825 1.00 0.00 C ATOM 971 CD PRO A 64 -6.168 6.367 4.952 1.00 0.00 C ATOM 0 HA PRO A 64 -7.080 7.506 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.025 9.407 5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.591 8.848 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.472 8.261 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.879 8.075 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.770 5.988 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.226 5.818 4.938 1.00 0.00 H new ATOM 979 N PRO A 65 -9.253 8.780 7.326 1.00 0.00 N ATOM 980 CA PRO A 65 -10.667 9.113 7.272 1.00 0.00 C ATOM 981 C PRO A 65 -11.034 9.722 5.917 1.00 0.00 C ATOM 982 O PRO A 65 -10.277 10.518 5.364 1.00 0.00 O ATOM 983 CB PRO A 65 -10.890 10.069 8.433 1.00 0.00 C ATOM 984 CG PRO A 65 -9.515 10.597 8.808 1.00 0.00 C ATOM 985 CD PRO A 65 -8.477 9.716 8.134 1.00 0.00 C ATOM 0 HA PRO A 65 -11.310 8.238 7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.556 10.883 8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.355 9.558 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.403 11.633 8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.383 10.583 9.890 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.799 10.305 7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.865 9.192 8.868 1.00 0.00 H new ATOM 993 N GLY A 66 -12.197 9.325 5.422 1.00 0.00 N ATOM 994 CA GLY A 66 -12.675 9.821 4.143 1.00 0.00 C ATOM 995 C GLY A 66 -11.712 9.445 3.015 1.00 0.00 C ATOM 996 O GLY A 66 -11.621 10.149 2.011 1.00 0.00 O ATOM 0 H GLY A 66 -12.823 8.665 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.663 9.409 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.784 10.905 4.187 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.018 8.335 3.218 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.065 7.856 2.231 1.00 0.00 C ATOM 1002 C VAL A 67 -10.275 6.357 2.011 1.00 0.00 C ATOM 1003 O VAL A 67 -10.111 5.562 2.935 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.640 8.203 2.667 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.612 7.623 1.694 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.465 9.716 2.813 1.00 0.00 C ATOM 0 H VAL A 67 -11.097 7.753 4.052 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.226 8.351 1.273 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.469 7.750 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.608 7.884 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.713 6.538 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.782 8.033 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.444 9.936 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.665 10.199 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.161 10.092 3.563 1.00 0.00 H new ATOM 1016 N SER A 68 -10.633 6.016 0.782 1.00 0.00 N ATOM 1017 CA SER A 68 -10.867 4.626 0.429 1.00 0.00 C ATOM 1018 C SER A 68 -9.587 4.007 -0.137 1.00 0.00 C ATOM 1019 O SER A 68 -8.786 4.696 -0.767 1.00 0.00 O ATOM 1020 CB SER A 68 -12.009 4.498 -0.580 1.00 0.00 C ATOM 1021 OG SER A 68 -13.047 5.443 -0.335 1.00 0.00 O ATOM 0 H SER A 68 -10.767 6.678 0.018 1.00 0.00 H new ATOM 0 HA SER A 68 -11.155 4.088 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.620 4.641 -1.588 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.420 3.489 -0.537 1.00 0.00 H new ATOM 0 HG SER A 68 -13.756 5.330 -1.002 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.434 2.714 0.109 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.265 1.995 -0.368 1.00 0.00 C ATOM 1029 C PHE A 69 -8.447 1.555 -1.823 1.00 0.00 C ATOM 1030 O PHE A 69 -9.529 1.117 -2.211 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.113 0.753 0.512 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.060 -0.238 0.014 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.748 0.121 -0.017 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.435 -1.479 -0.399 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.771 -0.799 -0.479 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.457 -2.399 -0.861 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.146 -2.039 -0.892 1.00 0.00 C ATOM 0 H PHE A 69 -10.100 2.146 0.632 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.387 2.639 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.853 1.066 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.075 0.244 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.450 1.106 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.476 -1.764 -0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.730 -0.514 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.754 -3.385 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.402 -2.738 -1.245 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.373 1.688 -2.587 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.401 1.310 -3.989 1.00 0.00 C ATOM 1049 C LYS A 70 -6.044 1.619 -4.624 1.00 0.00 C ATOM 1050 O LYS A 70 -5.162 2.176 -3.971 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.579 1.979 -4.701 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.610 3.482 -4.417 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.779 4.153 -5.141 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.759 4.771 -4.142 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.160 6.126 -4.582 1.00 0.00 N ATOM 0 H LYS A 70 -6.478 2.052 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.564 0.237 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.503 1.810 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.513 1.524 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.697 3.651 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.672 3.935 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.402 4.925 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.298 3.420 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.640 4.137 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.298 4.824 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.825 6.532 -3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.318 6.733 -4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.619 6.067 -5.513 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.918 1.244 -5.888 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.683 1.475 -6.618 1.00 0.00 C ATOM 1071 C ALA A 71 -4.315 2.957 -6.535 1.00 0.00 C ATOM 1072 O ALA A 71 -5.192 3.812 -6.417 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.845 0.994 -8.061 1.00 0.00 C ATOM 0 H ALA A 71 -6.651 0.782 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.864 0.908 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.919 1.167 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.075 -0.071 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.657 1.543 -8.539 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.983 3.224 -6.601 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.489 4.589 -6.534 1.00 0.00 C ATOM 1081 C PRO A 72 -2.737 5.327 -7.851 1.00 0.00 C ATOM 1082 O PRO A 72 -2.520 6.534 -7.941 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.013 4.457 -6.196 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.632 3.026 -6.543 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.916 2.237 -6.740 1.00 0.00 C ATOM 0 HA PRO A 72 -3.004 5.186 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.417 5.169 -6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.834 4.664 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.026 3.001 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.032 2.587 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.942 1.761 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.011 1.444 -5.998 1.00 0.00 H new ATOM 1093 N SER A 73 -3.188 4.570 -8.841 1.00 0.00 N ATOM 1094 CA SER A 73 -3.468 5.137 -10.149 1.00 0.00 C ATOM 1095 C SER A 73 -4.744 5.979 -10.092 1.00 0.00 C ATOM 1096 O SER A 73 -4.861 6.982 -10.795 1.00 0.00 O ATOM 1097 CB SER A 73 -3.602 4.040 -11.207 1.00 0.00 C ATOM 1098 OG SER A 73 -2.400 3.865 -11.951 1.00 0.00 O ATOM 0 H SER A 73 -3.366 3.569 -8.763 1.00 0.00 H new ATOM 0 HA SER A 73 -2.631 5.776 -10.431 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.869 3.100 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.416 4.290 -11.887 1.00 0.00 H new ATOM 0 HG SER A 73 -2.526 3.155 -12.615 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.667 5.540 -9.249 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.930 6.242 -9.092 1.00 0.00 C ATOM 1106 C TYR A 74 -6.835 7.301 -7.992 1.00 0.00 C ATOM 1107 O TYR A 74 -7.395 8.389 -8.123 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.952 5.182 -8.676 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.087 4.025 -9.668 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.106 4.277 -11.024 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.190 2.728 -9.206 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.233 3.188 -11.958 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.318 1.639 -10.139 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.333 1.923 -11.469 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.453 0.895 -12.351 1.00 0.00 O ATOM 0 H TYR A 74 -5.566 4.708 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.206 6.749 -10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.669 4.781 -7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.925 5.658 -8.554 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.026 5.291 -11.386 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.175 2.530 -8.144 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.248 3.372 -13.022 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.400 0.620 -9.791 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.514 0.049 -11.861 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.123 6.946 -6.933 1.00 0.00 N ATOM 1126 CA LEU A 75 -5.948 7.853 -5.811 1.00 0.00 C ATOM 1127 C LEU A 75 -5.191 9.097 -6.279 1.00 0.00 C ATOM 1128 O LEU A 75 -4.343 9.015 -7.167 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.280 7.132 -4.638 1.00 0.00 C ATOM 1130 CG LEU A 75 -5.998 5.883 -4.122 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.146 5.152 -3.083 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.386 6.233 -3.582 1.00 0.00 C ATOM 0 H LEU A 75 -5.660 6.043 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.916 8.189 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.271 6.849 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.181 7.837 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.141 5.200 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.679 4.268 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.201 4.850 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.950 5.816 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.875 5.328 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.289 6.944 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.985 6.677 -4.378 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.524 10.221 -5.662 1.00 0.00 N ATOM 1145 CA GLU A 76 -4.886 11.481 -6.005 1.00 0.00 C ATOM 1146 C GLU A 76 -3.635 11.692 -5.151 1.00 0.00 C ATOM 1147 O GLU A 76 -3.229 10.800 -4.407 1.00 0.00 O ATOM 1148 CB GLU A 76 -5.861 12.650 -5.847 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.399 12.726 -4.417 1.00 0.00 C ATOM 1150 CD GLU A 76 -7.929 12.735 -4.407 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -8.507 11.828 -5.043 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -8.487 13.650 -3.762 1.00 0.00 O ATOM 0 H GLU A 76 -6.228 10.286 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.585 11.440 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.359 13.584 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.690 12.534 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.033 11.876 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.023 13.626 -3.931 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.057 12.876 -5.287 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.860 13.216 -4.537 1.00 0.00 C ATOM 1161 C ILE A 77 -2.194 13.263 -3.044 1.00 0.00 C ATOM 1162 O ILE A 77 -1.610 12.527 -2.250 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.243 14.510 -5.070 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.853 14.366 -6.542 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.060 14.951 -4.204 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.129 15.463 -6.959 1.00 0.00 C ATOM 0 H ILE A 77 -3.396 13.613 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.097 12.449 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.996 15.296 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.403 13.387 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.746 14.416 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.360 15.873 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.400 15.121 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.703 14.173 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.390 15.337 -8.010 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.333 16.439 -6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.031 15.395 -6.351 1.00 0.00 H new ATOM 1178 N SER A 78 -3.133 14.135 -2.708 1.00 0.00 N ATOM 1179 CA SER A 78 -3.552 14.287 -1.325 1.00 0.00 C ATOM 1180 C SER A 78 -3.783 12.913 -0.694 1.00 0.00 C ATOM 1181 O SER A 78 -3.300 12.641 0.404 1.00 0.00 O ATOM 1182 CB SER A 78 -4.820 15.138 -1.224 1.00 0.00 C ATOM 1183 OG SER A 78 -4.611 16.318 -0.454 1.00 0.00 O ATOM 0 H SER A 78 -3.615 14.743 -3.369 1.00 0.00 H new ATOM 0 HA SER A 78 -2.758 14.800 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.153 15.413 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.618 14.548 -0.773 1.00 0.00 H new ATOM 0 HG SER A 78 -5.443 16.835 -0.415 1.00 0.00 H new ATOM 1189 N SER A 79 -4.523 12.083 -1.415 1.00 0.00 N ATOM 1190 CA SER A 79 -4.825 10.744 -0.939 1.00 0.00 C ATOM 1191 C SER A 79 -3.535 10.035 -0.518 1.00 0.00 C ATOM 1192 O SER A 79 -3.291 9.839 0.672 1.00 0.00 O ATOM 1193 CB SER A 79 -5.552 9.929 -2.011 1.00 0.00 C ATOM 1194 OG SER A 79 -6.903 10.350 -2.176 1.00 0.00 O ATOM 0 H SER A 79 -4.922 12.312 -2.325 1.00 0.00 H new ATOM 0 HA SER A 79 -5.485 10.829 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.024 10.025 -2.960 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.532 8.873 -1.740 1.00 0.00 H new ATOM 0 HG SER A 79 -7.332 9.807 -2.870 1.00 0.00 H new ATOM 1200 N MET A 80 -2.744 9.672 -1.516 1.00 0.00 N ATOM 1201 CA MET A 80 -1.486 8.989 -1.264 1.00 0.00 C ATOM 1202 C MET A 80 -0.782 9.574 -0.039 1.00 0.00 C ATOM 1203 O MET A 80 -0.386 8.839 0.864 1.00 0.00 O ATOM 1204 CB MET A 80 -0.578 9.124 -2.488 1.00 0.00 C ATOM 1205 CG MET A 80 -1.189 8.425 -3.704 1.00 0.00 C ATOM 1206 SD MET A 80 0.006 8.344 -5.027 1.00 0.00 S ATOM 1207 CE MET A 80 -0.534 9.726 -6.018 1.00 0.00 C ATOM 0 H MET A 80 -2.949 9.838 -2.501 1.00 0.00 H new ATOM 0 HA MET A 80 -1.697 7.937 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.419 10.179 -2.712 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.399 8.693 -2.270 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.511 7.420 -3.432 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.076 8.965 -4.036 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.051 9.685 -6.994 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.615 9.681 -6.146 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.266 10.658 -5.520 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.646 10.892 -0.046 1.00 0.00 N ATOM 1218 CA ARG A 81 0.004 11.584 1.054 1.00 0.00 C ATOM 1219 C ARG A 81 -0.572 11.114 2.391 1.00 0.00 C ATOM 1220 O ARG A 81 0.170 10.687 3.274 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.175 13.099 0.934 1.00 0.00 C ATOM 1222 CG ARG A 81 0.929 13.715 0.071 1.00 0.00 C ATOM 1223 CD ARG A 81 2.314 13.323 0.591 1.00 0.00 C ATOM 1224 NE ARG A 81 3.310 14.344 0.197 1.00 0.00 N ATOM 1225 CZ ARG A 81 4.534 14.446 0.733 1.00 0.00 C ATOM 1226 NH1 ARG A 81 4.920 13.590 1.689 1.00 0.00 N ATOM 1227 NH2 ARG A 81 5.371 15.404 0.313 1.00 0.00 N ATOM 0 H ARG A 81 -0.975 11.499 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 81 1.068 11.350 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.149 13.320 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.160 13.550 1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.817 13.383 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.831 14.801 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.290 13.226 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.600 12.350 0.191 1.00 0.00 H new ATOM 0 HE ARG A 81 3.049 15.012 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.282 12.861 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.852 13.667 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.077 16.055 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.303 15.482 0.721 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.889 11.209 2.498 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.573 10.799 3.712 1.00 0.00 C ATOM 1243 C ARG A 82 -2.131 9.392 4.121 1.00 0.00 C ATOM 1244 O ARG A 82 -1.559 9.204 5.193 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.091 10.814 3.522 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.590 12.227 3.210 1.00 0.00 C ATOM 1247 CD ARG A 82 -5.973 12.187 2.557 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.881 13.139 3.236 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.155 13.348 2.877 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.679 12.675 1.844 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.904 14.231 3.551 1.00 0.00 N ATOM 0 H ARG A 82 -2.501 11.564 1.763 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.310 11.509 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.366 10.140 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.578 10.443 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.634 12.812 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.885 12.728 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.893 12.440 1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.382 11.178 2.614 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.514 13.669 4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.108 12.003 1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.649 12.834 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.504 14.744 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.874 14.390 3.278 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.415 8.439 3.244 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.054 7.055 3.500 1.00 0.00 C ATOM 1267 C ILE A 83 -0.633 6.999 4.063 1.00 0.00 C ATOM 1268 O ILE A 83 -0.401 6.400 5.112 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.250 6.209 2.240 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.716 6.211 1.801 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.715 4.790 2.444 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -3.835 6.413 0.289 1.00 0.00 C ATOM 0 H ILE A 83 -2.891 8.599 2.356 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.713 6.622 4.253 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.671 6.659 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.185 5.269 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.254 7.004 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.867 4.210 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.650 4.832 2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.246 4.316 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.887 6.410 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.386 7.367 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.317 5.605 -0.228 1.00 0.00 H new ATOM 1284 N LEU A 84 0.281 7.631 3.342 1.00 0.00 N ATOM 1285 CA LEU A 84 1.673 7.661 3.757 1.00 0.00 C ATOM 1286 C LEU A 84 1.763 8.190 5.190 1.00 0.00 C ATOM 1287 O LEU A 84 2.440 7.602 6.031 1.00 0.00 O ATOM 1288 CB LEU A 84 2.514 8.454 2.755 1.00 0.00 C ATOM 1289 CG LEU A 84 2.686 7.819 1.373 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.300 8.814 0.386 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.497 6.525 1.461 1.00 0.00 C ATOM 0 H LEU A 84 0.085 8.127 2.472 1.00 0.00 H new ATOM 0 HA LEU A 84 2.090 6.654 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.060 9.437 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.503 8.613 3.186 1.00 0.00 H new ATOM 0 HG LEU A 84 1.699 7.555 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.412 8.338 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.649 9.683 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.278 9.131 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.604 6.094 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.483 6.741 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.982 5.816 2.109 1.00 0.00 H new ATOM 1303 N ASP A 85 1.069 9.295 5.423 1.00 0.00 N ATOM 1304 CA ASP A 85 1.062 9.910 6.739 1.00 0.00 C ATOM 1305 C ASP A 85 0.767 8.842 7.795 1.00 0.00 C ATOM 1306 O ASP A 85 1.176 8.974 8.947 1.00 0.00 O ATOM 1307 CB ASP A 85 -0.022 10.985 6.839 1.00 0.00 C ATOM 1308 CG ASP A 85 0.322 12.168 7.746 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.286 12.022 8.528 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.388 13.191 7.638 1.00 0.00 O ATOM 0 H ASP A 85 0.508 9.780 4.723 1.00 0.00 H new ATOM 0 HA ASP A 85 2.038 10.366 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.231 11.363 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.939 10.522 7.203 1.00 0.00 H new ATOM 1315 N SER A 86 0.060 7.808 7.363 1.00 0.00 N ATOM 1316 CA SER A 86 -0.295 6.719 8.257 1.00 0.00 C ATOM 1317 C SER A 86 0.362 5.420 7.784 1.00 0.00 C ATOM 1318 O SER A 86 -0.129 4.330 8.075 1.00 0.00 O ATOM 1319 CB SER A 86 -1.813 6.546 8.340 1.00 0.00 C ATOM 1320 OG SER A 86 -2.278 6.559 9.687 1.00 0.00 O ATOM 0 H SER A 86 -0.276 7.701 6.406 1.00 0.00 H new ATOM 0 HA SER A 86 0.070 6.962 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.300 7.344 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.097 5.606 7.867 1.00 0.00 H new ATOM 0 HG SER A 86 -1.658 6.053 10.252 1.00 0.00 H new ATOM 1326 N ALA A 87 1.463 5.579 7.064 1.00 0.00 N ATOM 1327 CA ALA A 87 2.192 4.433 6.548 1.00 0.00 C ATOM 1328 C ALA A 87 2.430 3.434 7.682 1.00 0.00 C ATOM 1329 O ALA A 87 2.418 2.224 7.461 1.00 0.00 O ATOM 1330 CB ALA A 87 3.496 4.905 5.903 1.00 0.00 C ATOM 0 H ALA A 87 1.868 6.484 6.826 1.00 0.00 H new ATOM 0 HA ALA A 87 1.613 3.925 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.043 4.045 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.271 5.590 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.106 5.417 6.647 1.00 0.00 H new ATOM 1336 N GLU A 88 2.642 3.977 8.872 1.00 0.00 N ATOM 1337 CA GLU A 88 2.883 3.148 10.041 1.00 0.00 C ATOM 1338 C GLU A 88 1.593 2.442 10.466 1.00 0.00 C ATOM 1339 O GLU A 88 1.638 1.377 11.079 1.00 0.00 O ATOM 1340 CB GLU A 88 3.459 3.976 11.191 1.00 0.00 C ATOM 1341 CG GLU A 88 2.462 5.042 11.653 1.00 0.00 C ATOM 1342 CD GLU A 88 3.062 5.910 12.760 1.00 0.00 C ATOM 1343 OE1 GLU A 88 3.260 5.363 13.866 1.00 0.00 O ATOM 1344 OE2 GLU A 88 3.309 7.102 12.475 1.00 0.00 O ATOM 0 H GLU A 88 2.652 4.981 9.052 1.00 0.00 H new ATOM 0 HA GLU A 88 3.620 2.389 9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.709 3.321 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.385 4.453 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.177 5.669 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.553 4.562 12.015 1.00 0.00 H new ATOM 1351 N PHE A 89 0.475 3.064 10.123 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.824 2.509 10.462 1.00 0.00 C ATOM 1353 C PHE A 89 -1.264 1.472 9.426 1.00 0.00 C ATOM 1354 O PHE A 89 -1.832 0.440 9.779 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.821 3.670 10.458 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.611 4.674 11.593 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -0.596 5.576 11.523 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -2.439 4.665 12.672 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -0.400 6.508 12.576 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -2.244 5.597 13.725 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.228 6.499 13.655 1.00 0.00 C ATOM 0 H PHE A 89 0.442 3.947 9.614 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.776 2.016 11.433 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.749 4.194 9.505 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.832 3.268 10.525 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.061 5.584 10.666 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.245 3.949 12.728 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.407 7.224 12.520 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.902 5.590 14.581 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.079 7.208 14.456 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.984 1.782 8.169 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.343 0.890 7.080 1.00 0.00 C ATOM 1373 C ILE A 90 -1.085 -0.557 7.506 1.00 0.00 C ATOM 1374 O ILE A 90 -0.013 -0.875 8.019 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.615 1.292 5.796 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.854 2.767 5.470 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.008 0.377 4.634 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.330 3.134 5.634 1.00 0.00 C ATOM 0 H ILE A 90 -0.512 2.639 7.880 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.406 0.972 6.855 1.00 0.00 H new ATOM 0 HB ILE A 90 0.456 1.167 5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.246 3.391 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.536 2.973 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.477 0.684 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.745 -0.653 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.082 0.447 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.471 4.188 5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.933 2.526 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.639 2.950 6.663 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.085 -1.395 7.277 1.00 0.00 N ATOM 1391 CA LYS A 91 -1.980 -2.800 7.631 1.00 0.00 C ATOM 1392 C LYS A 91 -2.741 -3.639 6.602 1.00 0.00 C ATOM 1393 O LYS A 91 -3.617 -3.129 5.906 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.443 -3.027 9.072 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.623 -4.130 9.744 1.00 0.00 C ATOM 1396 CD LYS A 91 -1.934 -4.209 11.240 1.00 0.00 C ATOM 1397 CE LYS A 91 -2.815 -5.420 11.554 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.173 -6.277 12.575 1.00 0.00 N ATOM 0 H LYS A 91 -2.972 -1.128 6.850 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.939 -3.123 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.347 -2.101 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.499 -3.298 9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.840 -5.088 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.560 -3.937 9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.004 -4.275 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.437 -3.296 11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.789 -5.086 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.990 -5.996 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.784 -7.094 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.254 -6.611 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.029 -5.729 13.447 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.378 -4.912 6.538 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.015 -5.826 5.606 1.00 0.00 C ATOM 1414 C PHE A 92 -3.193 -7.211 6.231 1.00 0.00 C ATOM 1415 O PHE A 92 -2.214 -7.862 6.594 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.092 -5.942 4.392 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.190 -4.763 3.421 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.702 -3.545 3.779 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.765 -4.933 2.200 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.792 -2.451 2.879 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -2.855 -3.839 1.300 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.367 -2.621 1.658 1.00 0.00 C ATOM 0 H PHE A 92 -1.651 -5.332 7.117 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.001 -5.451 5.333 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.062 -6.030 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.327 -6.861 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.246 -3.410 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.153 -5.900 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.404 -1.484 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.311 -3.974 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.436 -1.789 0.973 1.00 0.00 H new ATOM 1432 N THR A 93 -4.448 -7.621 6.338 1.00 0.00 N ATOM 1433 CA THR A 93 -4.766 -8.917 6.913 1.00 0.00 C ATOM 1434 C THR A 93 -5.208 -9.892 5.819 1.00 0.00 C ATOM 1435 O THR A 93 -5.886 -9.500 4.870 1.00 0.00 O ATOM 1436 CB THR A 93 -5.821 -8.706 8.000 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.205 -7.797 8.909 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.060 -9.965 8.837 1.00 0.00 C ATOM 0 H THR A 93 -5.257 -7.078 6.036 1.00 0.00 H new ATOM 0 HA THR A 93 -3.889 -9.371 7.375 1.00 0.00 H new ATOM 0 HB THR A 93 -6.758 -8.393 7.540 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.821 -7.603 9.646 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.818 -9.761 9.594 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.402 -10.773 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.131 -10.260 9.324 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.805 -11.143 5.988 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.151 -12.176 5.027 1.00 0.00 C ATOM 1448 C VAL A 94 -5.896 -13.304 5.744 1.00 0.00 C ATOM 1449 O VAL A 94 -5.280 -14.263 6.207 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.894 -12.657 4.301 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -4.222 -13.794 3.331 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -3.203 -11.500 3.576 1.00 0.00 C ATOM 0 H VAL A 94 -4.242 -11.464 6.776 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.819 -11.779 4.263 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.203 -13.044 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.311 -14.117 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.648 -14.632 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.941 -13.444 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.312 -11.869 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.886 -11.070 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.918 -10.736 4.299 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.210 -13.153 5.813 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.045 -14.147 6.465 1.00 0.00 C ATOM 1464 C ILE A 95 -7.990 -15.453 5.671 1.00 0.00 C ATOM 1465 O ILE A 95 -7.720 -16.514 6.232 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.463 -13.608 6.665 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.479 -12.475 7.693 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.430 -14.734 7.037 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -9.169 -11.130 7.033 1.00 0.00 C ATOM 0 H ILE A 95 -7.717 -12.356 5.428 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.668 -14.365 7.464 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.806 -13.189 5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.456 -12.431 8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.747 -12.678 8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.431 -14.324 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.448 -15.477 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.101 -15.205 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.187 -10.342 7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.182 -11.170 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.917 -10.919 6.269 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.251 -15.334 4.378 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.235 -16.492 3.501 1.00 0.00 C ATOM 1483 C ARG A 96 -7.526 -16.154 2.188 1.00 0.00 C ATOM 1484 O ARG A 96 -7.770 -15.102 1.600 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.655 -16.973 3.197 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.555 -15.804 2.793 1.00 0.00 C ATOM 1487 CD ARG A 96 -12.033 -16.180 2.918 1.00 0.00 C ATOM 1488 NE ARG A 96 -12.665 -16.201 1.580 1.00 0.00 N ATOM 1489 CZ ARG A 96 -13.981 -16.343 1.374 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -14.812 -16.478 2.416 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -14.466 -16.351 0.124 1.00 0.00 N ATOM 0 H ARG A 96 -8.475 -14.453 3.916 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.696 -17.289 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.629 -17.711 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.070 -17.470 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.341 -14.941 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.337 -15.510 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.129 -17.158 3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.546 -15.464 3.560 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.061 -16.101 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.443 -16.473 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.814 -16.586 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.833 -16.249 -0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.468 -16.459 -0.034 1.00 0.00 H new ATOM 1505 N PRO A 97 -6.640 -17.090 1.755 1.00 0.00 N ATOM 1506 CA PRO A 97 -5.894 -16.902 0.523 1.00 0.00 C ATOM 1507 C PRO A 97 -6.786 -17.133 -0.699 1.00 0.00 C ATOM 1508 O PRO A 97 -7.885 -17.672 -0.576 1.00 0.00 O ATOM 1509 CB PRO A 97 -4.738 -17.885 0.608 1.00 0.00 C ATOM 1510 CG PRO A 97 -5.137 -18.908 1.660 1.00 0.00 C ATOM 1511 CD PRO A 97 -6.325 -18.349 2.426 1.00 0.00 C ATOM 0 HA PRO A 97 -5.525 -15.883 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.561 -18.364 -0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -3.814 -17.378 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.397 -19.857 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.305 -19.105 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.172 -19.035 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.079 -18.188 3.476 1.00 0.00 H new ATOM 1519 N PHE A 98 -6.280 -16.713 -1.849 1.00 0.00 N ATOM 1520 CA PHE A 98 -7.018 -16.867 -3.092 1.00 0.00 C ATOM 1521 C PHE A 98 -6.865 -18.285 -3.648 1.00 0.00 C ATOM 1522 O PHE A 98 -5.965 -19.020 -3.244 1.00 0.00 O ATOM 1523 CB PHE A 98 -6.423 -15.873 -4.091 1.00 0.00 C ATOM 1524 CG PHE A 98 -6.009 -14.538 -3.469 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -6.907 -13.817 -2.746 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -4.742 -14.073 -3.639 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -6.523 -12.578 -2.169 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -4.358 -12.833 -3.061 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.256 -12.112 -2.339 1.00 0.00 C ATOM 0 H PHE A 98 -5.368 -16.266 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.079 -16.685 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.553 -16.327 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.153 -15.684 -4.879 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.913 -14.187 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.029 -14.646 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.237 -12.005 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.352 -12.463 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.964 -11.169 -1.900 1.00 0.00 H new ATOM 1539 N PRO A 99 -7.780 -18.634 -4.590 1.00 0.00 N ATOM 1540 CA PRO A 99 -7.756 -19.950 -5.206 1.00 0.00 C ATOM 1541 C PRO A 99 -6.617 -20.059 -6.222 1.00 0.00 C ATOM 1542 O PRO A 99 -6.842 -19.946 -7.426 1.00 0.00 O ATOM 1543 CB PRO A 99 -9.130 -20.116 -5.834 1.00 0.00 C ATOM 1544 CG PRO A 99 -9.708 -18.715 -5.949 1.00 0.00 C ATOM 1545 CD PRO A 99 -8.859 -17.789 -5.093 1.00 0.00 C ATOM 0 HA PRO A 99 -7.562 -20.747 -4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.057 -20.590 -6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.766 -20.752 -5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.705 -18.385 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.745 -18.701 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.469 -16.956 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.440 -17.361 -4.276 1.00 0.00 H new ATOM 1553 N GLY A 100 -5.419 -20.276 -5.700 1.00 0.00 N ATOM 1554 CA GLY A 100 -4.245 -20.401 -6.547 1.00 0.00 C ATOM 1555 C GLY A 100 -3.072 -19.598 -5.980 1.00 0.00 C ATOM 1556 O GLY A 100 -1.944 -19.722 -6.453 1.00 0.00 O ATOM 0 H GLY A 100 -5.236 -20.368 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.964 -21.451 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.478 -20.050 -7.552 1.00 0.00 H new ATOM 1560 N LEU A 101 -3.379 -18.793 -4.973 1.00 0.00 N ATOM 1561 CA LEU A 101 -2.365 -17.970 -4.337 1.00 0.00 C ATOM 1562 C LEU A 101 -1.199 -18.857 -3.894 1.00 0.00 C ATOM 1563 O LEU A 101 -1.341 -20.076 -3.805 1.00 0.00 O ATOM 1564 CB LEU A 101 -2.977 -17.147 -3.202 1.00 0.00 C ATOM 1565 CG LEU A 101 -2.028 -16.187 -2.482 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -1.579 -15.059 -3.414 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -2.662 -15.650 -1.197 1.00 0.00 C ATOM 0 H LEU A 101 -4.316 -18.693 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.964 -17.245 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.808 -16.569 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.394 -17.834 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.135 -16.742 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.905 -14.391 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.061 -15.482 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.450 -14.499 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.967 -14.970 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.581 -15.116 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.891 -16.481 -0.530 1.00 0.00 H new ATOM 1579 N VAL A 102 -0.074 -18.211 -3.628 1.00 0.00 N ATOM 1580 CA VAL A 102 1.115 -18.926 -3.196 1.00 0.00 C ATOM 1581 C VAL A 102 1.871 -18.078 -2.171 1.00 0.00 C ATOM 1582 O VAL A 102 1.853 -16.850 -2.241 1.00 0.00 O ATOM 1583 CB VAL A 102 1.970 -19.300 -4.409 1.00 0.00 C ATOM 1584 CG1 VAL A 102 3.251 -20.016 -3.977 1.00 0.00 C ATOM 1585 CG2 VAL A 102 1.173 -20.151 -5.400 1.00 0.00 C ATOM 0 H VAL A 102 0.040 -17.200 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 102 0.842 -19.861 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 102 2.256 -18.378 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.840 -20.271 -4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.833 -19.361 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.994 -20.927 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.804 -20.403 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.843 -21.067 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.304 -19.590 -5.745 1.00 0.00 H new ATOM 1595 N ILE A 103 2.517 -18.767 -1.242 1.00 0.00 N ATOM 1596 CA ILE A 103 3.277 -18.092 -0.203 1.00 0.00 C ATOM 1597 C ILE A 103 4.746 -18.513 -0.298 1.00 0.00 C ATOM 1598 O ILE A 103 5.323 -18.987 0.679 1.00 0.00 O ATOM 1599 CB ILE A 103 2.652 -18.346 1.170 1.00 0.00 C ATOM 1600 CG1 ILE A 103 1.174 -17.950 1.181 1.00 0.00 C ATOM 1601 CG2 ILE A 103 3.443 -17.640 2.272 1.00 0.00 C ATOM 1602 CD1 ILE A 103 0.571 -18.121 2.576 1.00 0.00 C ATOM 0 H ILE A 103 2.530 -19.785 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 103 3.244 -17.012 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 103 2.700 -19.416 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.069 -16.914 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.624 -18.562 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.977 -17.837 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.467 -18.013 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.449 -16.566 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.480 -17.833 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.656 -19.163 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.107 -17.489 3.284 1.00 0.00 H new ATOM 1614 N ASN A 104 5.307 -18.323 -1.482 1.00 0.00 N ATOM 1615 CA ASN A 104 6.697 -18.677 -1.717 1.00 0.00 C ATOM 1616 C ASN A 104 7.285 -17.742 -2.776 1.00 0.00 C ATOM 1617 O ASN A 104 6.547 -17.121 -3.540 1.00 0.00 O ATOM 1618 CB ASN A 104 6.821 -20.112 -2.232 1.00 0.00 C ATOM 1619 CG ASN A 104 8.106 -20.768 -1.724 1.00 0.00 C ATOM 1620 OD1 ASN A 104 8.170 -21.303 -0.629 1.00 0.00 O ATOM 1621 ND2 ASN A 104 9.123 -20.697 -2.577 1.00 0.00 N ATOM 0 H ASN A 104 4.825 -17.928 -2.290 1.00 0.00 H new ATOM 0 HA ASN A 104 7.232 -18.586 -0.772 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.959 -20.694 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.814 -20.113 -3.322 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.025 -21.105 -2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.002 -20.235 -3.478 1.00 0.00 H new ATOM 1628 N ASN A 105 8.608 -17.672 -2.788 1.00 0.00 N ATOM 1629 CA ASN A 105 9.303 -16.823 -3.741 1.00 0.00 C ATOM 1630 C ASN A 105 8.669 -16.990 -5.123 1.00 0.00 C ATOM 1631 O ASN A 105 8.454 -16.009 -5.834 1.00 0.00 O ATOM 1632 CB ASN A 105 10.779 -17.211 -3.849 1.00 0.00 C ATOM 1633 CG ASN A 105 10.957 -18.727 -3.749 1.00 0.00 C ATOM 1634 OD1 ASN A 105 11.324 -19.269 -2.720 1.00 0.00 O ATOM 1635 ND2 ASN A 105 10.677 -19.380 -4.874 1.00 0.00 N ATOM 0 H ASN A 105 9.217 -18.189 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 105 9.225 -15.792 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.184 -16.856 -4.797 1.00 0.00 H new ATOM 0 HB3 ASN A 105 11.346 -16.722 -3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.765 -20.396 -4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.374 -18.865 -5.701 1.00 0.00 H new ATOM 1642 N GLN A 106 8.387 -18.239 -5.464 1.00 0.00 N ATOM 1643 CA GLN A 106 7.781 -18.546 -6.748 1.00 0.00 C ATOM 1644 C GLN A 106 6.327 -18.071 -6.777 1.00 0.00 C ATOM 1645 O GLN A 106 5.426 -18.794 -6.353 1.00 0.00 O ATOM 1646 CB GLN A 106 7.876 -20.042 -7.055 1.00 0.00 C ATOM 1647 CG GLN A 106 8.725 -20.294 -8.302 1.00 0.00 C ATOM 1648 CD GLN A 106 8.622 -21.753 -8.751 1.00 0.00 C ATOM 1649 OE1 GLN A 106 7.635 -22.185 -9.323 1.00 0.00 O ATOM 1650 NE2 GLN A 106 9.693 -22.485 -8.460 1.00 0.00 N ATOM 0 H GLN A 106 8.567 -19.050 -4.873 1.00 0.00 H new ATOM 0 HA GLN A 106 8.331 -18.014 -7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.311 -20.565 -6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.876 -20.451 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.397 -19.638 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.766 -20.047 -8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.486 -22.060 -7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.722 -23.472 -8.718 1.00 0.00 H new ATOM 1659 N LEU A 107 6.144 -16.860 -7.280 1.00 0.00 N ATOM 1660 CA LEU A 107 4.814 -16.280 -7.369 1.00 0.00 C ATOM 1661 C LEU A 107 4.207 -16.616 -8.732 1.00 0.00 C ATOM 1662 O LEU A 107 4.903 -17.099 -9.624 1.00 0.00 O ATOM 1663 CB LEU A 107 4.863 -14.780 -7.070 1.00 0.00 C ATOM 1664 CG LEU A 107 4.343 -14.353 -5.695 1.00 0.00 C ATOM 1665 CD1 LEU A 107 5.500 -14.094 -4.728 1.00 0.00 C ATOM 1666 CD2 LEU A 107 3.413 -13.145 -5.812 1.00 0.00 C ATOM 0 H LEU A 107 6.894 -16.264 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 107 4.158 -16.711 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.895 -14.444 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.285 -14.258 -7.833 1.00 0.00 H new ATOM 0 HG LEU A 107 3.755 -15.173 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.103 -13.792 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.088 -15.004 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.134 -13.301 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.058 -12.862 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.955 -12.310 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.562 -13.401 -6.443 1.00 0.00 H new ATOM 1678 N VAL A 108 2.915 -16.346 -8.851 1.00 0.00 N ATOM 1679 CA VAL A 108 2.206 -16.614 -10.091 1.00 0.00 C ATOM 1680 C VAL A 108 1.606 -15.310 -10.622 1.00 0.00 C ATOM 1681 O VAL A 108 0.429 -15.030 -10.405 1.00 0.00 O ATOM 1682 CB VAL A 108 1.158 -17.707 -9.869 1.00 0.00 C ATOM 1683 CG1 VAL A 108 0.241 -17.842 -11.086 1.00 0.00 C ATOM 1684 CG2 VAL A 108 1.822 -19.043 -9.532 1.00 0.00 C ATOM 0 H VAL A 108 2.341 -15.945 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 108 2.892 -16.990 -10.850 1.00 0.00 H new ATOM 0 HB VAL A 108 0.544 -17.414 -9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.494 -18.625 -10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.272 -16.896 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.835 -18.101 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.055 -19.802 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.472 -19.344 -10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.413 -18.936 -8.623 1.00 0.00 H new ATOM 1694 N SER A 109 2.445 -14.548 -11.309 1.00 0.00 N ATOM 1695 CA SER A 109 2.012 -13.280 -11.873 1.00 0.00 C ATOM 1696 C SER A 109 3.226 -12.396 -12.165 1.00 0.00 C ATOM 1697 O SER A 109 3.444 -11.991 -13.306 1.00 0.00 O ATOM 1698 CB SER A 109 1.045 -12.560 -10.932 1.00 0.00 C ATOM 1699 OG SER A 109 -0.309 -12.686 -11.360 1.00 0.00 O ATOM 0 H SER A 109 3.421 -14.784 -11.488 1.00 0.00 H new ATOM 0 HA SER A 109 1.485 -13.482 -12.805 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.147 -12.968 -9.926 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.311 -11.504 -10.877 1.00 0.00 H new ATOM 0 HG SER A 109 -0.620 -13.601 -11.195 1.00 0.00 H new ATOM 1705 N GLY A 110 3.986 -12.123 -11.114 1.00 0.00 N ATOM 1706 CA GLY A 110 5.172 -11.295 -11.243 1.00 0.00 C ATOM 1707 C GLY A 110 4.798 -9.816 -11.361 1.00 0.00 C ATOM 1708 O GLY A 110 3.701 -9.483 -11.806 1.00 0.00 O ATOM 0 H GLY A 110 3.803 -12.461 -10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.819 -11.442 -10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.740 -11.601 -12.121 1.00 0.00 H new ATOM 1712 N PRO A 111 5.756 -8.945 -10.943 1.00 0.00 N ATOM 1713 CA PRO A 111 5.538 -7.510 -10.997 1.00 0.00 C ATOM 1714 C PRO A 111 5.646 -6.993 -12.433 1.00 0.00 C ATOM 1715 O PRO A 111 6.618 -6.326 -12.785 1.00 0.00 O ATOM 1716 CB PRO A 111 6.588 -6.917 -10.072 1.00 0.00 C ATOM 1717 CG PRO A 111 7.646 -7.995 -9.897 1.00 0.00 C ATOM 1718 CD PRO A 111 7.067 -9.304 -10.409 1.00 0.00 C ATOM 0 HA PRO A 111 4.536 -7.224 -10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 111 7.019 -6.012 -10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 111 6.151 -6.639 -9.113 1.00 0.00 H new ATOM 0 HG2 PRO A 111 8.550 -7.736 -10.448 1.00 0.00 H new ATOM 0 HG3 PRO A 111 7.928 -8.087 -8.848 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.701 -9.744 -11.179 1.00 0.00 H new ATOM 0 HD3 PRO A 111 6.981 -10.039 -9.609 1.00 0.00 H new ATOM 1726 N SER A 112 4.634 -7.320 -13.223 1.00 0.00 N ATOM 1727 CA SER A 112 4.603 -6.897 -14.613 1.00 0.00 C ATOM 1728 C SER A 112 5.650 -7.668 -15.418 1.00 0.00 C ATOM 1729 O SER A 112 5.305 -8.450 -16.304 1.00 0.00 O ATOM 1730 CB SER A 112 4.843 -5.391 -14.736 1.00 0.00 C ATOM 1731 OG SER A 112 4.011 -4.797 -15.729 1.00 0.00 O ATOM 0 H SER A 112 3.829 -7.873 -12.927 1.00 0.00 H new ATOM 0 HA SER A 112 3.613 -7.114 -15.014 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.656 -4.914 -13.774 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.889 -5.210 -14.984 1.00 0.00 H new ATOM 0 HG SER A 112 4.193 -3.835 -15.776 1.00 0.00 H new ATOM 1737 N SER A 113 6.908 -7.423 -15.083 1.00 0.00 N ATOM 1738 CA SER A 113 8.007 -8.085 -15.764 1.00 0.00 C ATOM 1739 C SER A 113 8.181 -9.504 -15.220 1.00 0.00 C ATOM 1740 O SER A 113 7.865 -10.478 -15.902 1.00 0.00 O ATOM 1741 CB SER A 113 9.308 -7.294 -15.608 1.00 0.00 C ATOM 1742 OG SER A 113 10.429 -8.004 -16.125 1.00 0.00 O ATOM 0 H SER A 113 7.191 -6.775 -14.348 1.00 0.00 H new ATOM 0 HA SER A 113 7.769 -8.136 -16.827 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.215 -6.338 -16.123 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.474 -7.073 -14.554 1.00 0.00 H new ATOM 0 HG SER A 113 11.239 -7.465 -16.008 1.00 0.00 H new ATOM 1748 N GLY A 114 8.682 -9.577 -13.995 1.00 0.00 N ATOM 1749 CA GLY A 114 8.902 -10.861 -13.352 1.00 0.00 C ATOM 1750 C GLY A 114 10.018 -11.641 -14.050 1.00 0.00 C ATOM 1751 O GLY A 114 11.117 -11.772 -13.515 1.00 0.00 O ATOM 0 H GLY A 114 8.942 -8.768 -13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 114 9.161 -10.707 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.981 -11.443 -13.370 1.00 0.00 H new TER 1755 GLY A 114