USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 875 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 68 ASN : amide:sc= -2.39! C(o=2.1!,f=-6.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -36:sc= 1.24 USER MOD Set 1.3: A 92 ASN : amide:sc= 3.25 K(o=2.1,f=-10!) USER MOD Set 2.1: A 74 HIS : no HD1:sc= 0.312 K(o=1.6,f=-5.4!) USER MOD Set 2.2: A 77 SER OG : rot 95:sc= 1.28 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.082 USER MOD Single : A 5 SER OG : rot -43:sc= 0.439 USER MOD Single : A 6 SER OG : rot 65:sc= 0.503 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0641) USER MOD Single : A 14 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.52) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= 1.88 (180deg=-0.411) USER MOD Single : A 24 MET CE :methyl 174:sc= 0 (180deg=-0.0218) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.13 (180deg=-0.677) USER MOD Single : A 37 TYR OH : rot 38:sc= 0.457 USER MOD Single : A 44 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.0197 K(o=0.02,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00251) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -146:sc= 1.21 USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc=-0.00202 (180deg=-0.268) USER MOD Single : A 83 CYS SG : rot 160:sc= -0.0904 USER MOD Single : A 84 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.162 K(o=-0.16,f=-3.5!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.138) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.118) USER MOD Single : A 101 GLN : amide:sc= 0.587 K(o=0.59,f=-1.6) USER MOD Single : A 103 LYS NZ :NH3+ -154:sc= -0.107 (180deg=-0.643) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.947 K(o=0.95,f=-0.08) USER MOD Single : A 110 SER OG : rot -44:sc= 0.556 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -84:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.303 9.290 -10.999 1.00 62.43 N ATOM 2 CA GLY A 1 -0.527 9.693 -9.860 1.00 14.15 C ATOM 3 C GLY A 1 -1.894 9.027 -9.932 1.00 21.01 C ATOM 4 O GLY A 1 -2.085 8.048 -10.654 1.00 63.02 O ATOM 0 H1 GLY A 1 1.232 8.973 -10.656 1.00 62.43 H new ATOM 0 H2 GLY A 1 -0.162 8.512 -11.509 1.00 62.43 H new ATOM 0 H3 GLY A 1 0.428 10.099 -11.641 1.00 62.43 H new ATOM 0 HA2 GLY A 1 -0.032 9.420 -8.928 1.00 14.15 H new ATOM 0 HA3 GLY A 1 -0.644 10.777 -9.854 1.00 14.15 H new ATOM 8 N SER A 2 -2.847 9.501 -9.137 1.00 12.21 N ATOM 9 CA SER A 2 -4.200 8.976 -9.077 1.00 72.21 C ATOM 10 C SER A 2 -5.081 9.751 -10.060 1.00 43.43 C ATOM 11 O SER A 2 -5.935 10.553 -9.671 1.00 34.33 O ATOM 12 CB SER A 2 -4.640 9.031 -7.614 1.00 71.21 C ATOM 13 OG SER A 2 -5.959 8.568 -7.377 1.00 73.15 O ATOM 0 H SER A 2 -2.692 10.283 -8.500 1.00 12.21 H new ATOM 0 HA SER A 2 -4.278 7.935 -9.392 1.00 72.21 H new ATOM 0 HB2 SER A 2 -3.948 8.437 -7.017 1.00 71.21 H new ATOM 0 HB3 SER A 2 -4.561 10.060 -7.263 1.00 71.21 H new ATOM 0 HG SER A 2 -6.162 8.634 -6.421 1.00 73.15 H new ATOM 19 N SER A 3 -4.893 9.497 -11.354 1.00 54.34 N ATOM 20 CA SER A 3 -5.650 10.141 -12.424 1.00 41.53 C ATOM 21 C SER A 3 -7.132 9.725 -12.462 1.00 61.30 C ATOM 22 O SER A 3 -7.912 10.346 -13.185 1.00 13.01 O ATOM 23 CB SER A 3 -4.943 9.894 -13.762 1.00 5.43 C ATOM 24 OG SER A 3 -4.238 8.661 -13.788 1.00 32.13 O ATOM 0 H SER A 3 -4.201 8.829 -11.692 1.00 54.34 H new ATOM 0 HA SER A 3 -5.671 11.212 -12.222 1.00 41.53 H new ATOM 0 HB2 SER A 3 -5.680 9.904 -14.565 1.00 5.43 H new ATOM 0 HB3 SER A 3 -4.247 10.710 -13.957 1.00 5.43 H new ATOM 0 HG SER A 3 -3.807 8.549 -14.661 1.00 32.13 H new ATOM 30 N GLY A 4 -7.542 8.694 -11.712 1.00 72.43 N ATOM 31 CA GLY A 4 -8.915 8.198 -11.628 1.00 31.45 C ATOM 32 C GLY A 4 -9.334 7.388 -12.850 1.00 4.52 C ATOM 33 O GLY A 4 -9.733 6.236 -12.700 1.00 71.30 O ATOM 0 H GLY A 4 -6.898 8.164 -11.125 1.00 72.43 H new ATOM 0 HA2 GLY A 4 -9.018 7.579 -10.737 1.00 31.45 H new ATOM 0 HA3 GLY A 4 -9.594 9.043 -11.509 1.00 31.45 H new ATOM 37 N SER A 5 -9.279 7.984 -14.045 1.00 14.02 N ATOM 38 CA SER A 5 -9.618 7.398 -15.344 1.00 1.41 C ATOM 39 C SER A 5 -10.947 6.627 -15.421 1.00 44.40 C ATOM 40 O SER A 5 -11.141 5.871 -16.374 1.00 53.23 O ATOM 41 CB SER A 5 -8.432 6.538 -15.792 1.00 33.55 C ATOM 42 OG SER A 5 -8.489 6.264 -17.178 1.00 11.22 O ATOM 0 H SER A 5 -8.976 8.954 -14.136 1.00 14.02 H new ATOM 0 HA SER A 5 -9.796 8.229 -16.027 1.00 1.41 H new ATOM 0 HB2 SER A 5 -7.499 7.052 -15.559 1.00 33.55 H new ATOM 0 HB3 SER A 5 -8.428 5.602 -15.234 1.00 33.55 H new ATOM 0 HG SER A 5 -9.407 6.027 -17.427 1.00 11.22 H new ATOM 48 N SER A 6 -11.848 6.784 -14.455 1.00 25.02 N ATOM 49 CA SER A 6 -13.134 6.107 -14.411 1.00 32.51 C ATOM 50 C SER A 6 -14.203 6.998 -15.056 1.00 64.15 C ATOM 51 O SER A 6 -13.917 8.148 -15.418 1.00 11.23 O ATOM 52 CB SER A 6 -13.432 5.783 -12.943 1.00 15.40 C ATOM 53 OG SER A 6 -12.393 4.977 -12.394 1.00 71.34 O ATOM 0 H SER A 6 -11.696 7.404 -13.660 1.00 25.02 H new ATOM 0 HA SER A 6 -13.126 5.175 -14.977 1.00 32.51 H new ATOM 0 HB2 SER A 6 -13.526 6.706 -12.371 1.00 15.40 H new ATOM 0 HB3 SER A 6 -14.386 5.261 -12.865 1.00 15.40 H new ATOM 0 HG SER A 6 -11.558 5.490 -12.371 1.00 71.34 H new ATOM 59 N GLY A 7 -15.422 6.478 -15.210 1.00 42.12 N ATOM 60 CA GLY A 7 -16.545 7.203 -15.788 1.00 32.14 C ATOM 61 C GLY A 7 -17.823 6.858 -15.033 1.00 50.23 C ATOM 62 O GLY A 7 -17.916 5.801 -14.398 1.00 43.15 O ATOM 0 H GLY A 7 -15.656 5.525 -14.931 1.00 42.12 H new ATOM 0 HA2 GLY A 7 -16.361 8.276 -15.739 1.00 32.14 H new ATOM 0 HA3 GLY A 7 -16.653 6.945 -16.842 1.00 32.14 H new ATOM 66 N LYS A 8 -18.813 7.750 -15.075 1.00 33.01 N ATOM 67 CA LYS A 8 -20.102 7.558 -14.413 1.00 64.42 C ATOM 68 C LYS A 8 -21.076 6.948 -15.398 1.00 15.14 C ATOM 69 O LYS A 8 -21.275 7.490 -16.485 1.00 72.43 O ATOM 70 CB LYS A 8 -20.674 8.877 -13.881 1.00 1.22 C ATOM 71 CG LYS A 8 -19.961 9.284 -12.591 1.00 73.20 C ATOM 72 CD LYS A 8 -20.641 10.504 -11.961 1.00 61.01 C ATOM 73 CE LYS A 8 -20.089 10.790 -10.562 1.00 22.10 C ATOM 74 NZ LYS A 8 -18.630 11.017 -10.575 1.00 60.14 N ATOM 0 H LYS A 8 -18.741 8.636 -15.575 1.00 33.01 H new ATOM 0 HA LYS A 8 -19.950 6.895 -13.561 1.00 64.42 H new ATOM 0 HB2 LYS A 8 -20.558 9.660 -14.631 1.00 1.22 H new ATOM 0 HB3 LYS A 8 -21.743 8.769 -13.695 1.00 1.22 H new ATOM 0 HG2 LYS A 8 -19.969 8.452 -11.887 1.00 73.20 H new ATOM 0 HG3 LYS A 8 -18.916 9.512 -12.803 1.00 73.20 H new ATOM 0 HD2 LYS A 8 -20.491 11.376 -12.598 1.00 61.01 H new ATOM 0 HD3 LYS A 8 -21.716 10.333 -11.902 1.00 61.01 H new ATOM 0 HE2 LYS A 8 -20.588 11.666 -10.148 1.00 22.10 H new ATOM 0 HE3 LYS A 8 -20.319 9.952 -9.904 1.00 22.10 H new ATOM 0 HZ1 LYS A 8 -18.325 11.371 -9.646 1.00 60.14 H new ATOM 0 HZ2 LYS A 8 -18.141 10.123 -10.782 1.00 60.14 H new ATOM 0 HZ3 LYS A 8 -18.394 11.717 -11.307 1.00 60.14 H new ATOM 88 N TRP A 9 -21.679 5.835 -15.007 1.00 63.04 N ATOM 89 CA TRP A 9 -22.652 5.078 -15.771 1.00 53.13 C ATOM 90 C TRP A 9 -23.605 4.407 -14.776 1.00 3.43 C ATOM 91 O TRP A 9 -23.536 4.667 -13.570 1.00 55.20 O ATOM 92 CB TRP A 9 -21.911 4.113 -16.708 1.00 35.44 C ATOM 93 CG TRP A 9 -20.804 3.314 -16.090 1.00 52.44 C ATOM 94 CD1 TRP A 9 -19.503 3.676 -16.034 1.00 3.20 C ATOM 95 CD2 TRP A 9 -20.885 2.024 -15.425 1.00 0.14 C ATOM 96 NE1 TRP A 9 -18.781 2.714 -15.360 1.00 33.05 N ATOM 97 CE2 TRP A 9 -19.586 1.668 -14.958 1.00 31.33 C ATOM 98 CE3 TRP A 9 -21.937 1.121 -15.172 1.00 63.50 C ATOM 99 CZ2 TRP A 9 -19.353 0.473 -14.262 1.00 53.12 C ATOM 100 CZ3 TRP A 9 -21.714 -0.082 -14.479 1.00 31.52 C ATOM 101 CH2 TRP A 9 -20.425 -0.405 -14.024 1.00 44.55 C ATOM 0 H TRP A 9 -21.490 5.415 -14.097 1.00 63.04 H new ATOM 0 HA TRP A 9 -23.263 5.704 -16.422 1.00 53.13 H new ATOM 0 HB2 TRP A 9 -22.638 3.421 -17.132 1.00 35.44 H new ATOM 0 HB3 TRP A 9 -21.498 4.689 -17.536 1.00 35.44 H new ATOM 0 HD1 TRP A 9 -19.091 4.582 -16.454 1.00 3.20 H new ATOM 0 HE1 TRP A 9 -17.778 2.769 -15.181 1.00 33.05 H new ATOM 0 HE3 TRP A 9 -22.933 1.357 -15.517 1.00 63.50 H new ATOM 0 HZ2 TRP A 9 -18.360 0.230 -13.912 1.00 53.12 H new ATOM 0 HZ3 TRP A 9 -22.535 -0.759 -14.296 1.00 31.52 H new ATOM 0 HH2 TRP A 9 -20.257 -1.329 -13.491 1.00 44.55 H new ATOM 112 N GLY A 10 -24.535 3.595 -15.273 1.00 20.50 N ATOM 113 CA GLY A 10 -25.519 2.877 -14.481 1.00 64.31 C ATOM 114 C GLY A 10 -25.989 1.651 -15.256 1.00 21.12 C ATOM 115 O GLY A 10 -25.463 1.363 -16.332 1.00 64.24 O ATOM 0 H GLY A 10 -24.624 3.416 -16.273 1.00 20.50 H new ATOM 0 HA2 GLY A 10 -25.086 2.575 -13.527 1.00 64.31 H new ATOM 0 HA3 GLY A 10 -26.365 3.526 -14.255 1.00 64.31 H new ATOM 119 N LEU A 11 -26.940 0.906 -14.693 1.00 70.50 N ATOM 120 CA LEU A 11 -27.512 -0.297 -15.295 1.00 61.33 C ATOM 121 C LEU A 11 -28.996 -0.039 -15.573 1.00 51.34 C ATOM 122 O LEU A 11 -29.539 0.984 -15.157 1.00 52.25 O ATOM 123 CB LEU A 11 -27.315 -1.526 -14.382 1.00 14.15 C ATOM 124 CG LEU A 11 -25.846 -1.953 -14.158 1.00 43.23 C ATOM 125 CD1 LEU A 11 -25.185 -1.214 -12.982 1.00 14.20 C ATOM 126 CD2 LEU A 11 -25.782 -3.456 -13.864 1.00 54.01 C ATOM 0 H LEU A 11 -27.344 1.128 -13.783 1.00 70.50 H new ATOM 0 HA LEU A 11 -27.000 -0.519 -16.231 1.00 61.33 H new ATOM 0 HB2 LEU A 11 -27.767 -1.314 -13.413 1.00 14.15 H new ATOM 0 HB3 LEU A 11 -27.860 -2.367 -14.810 1.00 14.15 H new ATOM 0 HG LEU A 11 -25.307 -1.701 -15.071 1.00 43.23 H new ATOM 0 HD11 LEU A 11 -24.155 -1.554 -12.871 1.00 14.20 H new ATOM 0 HD12 LEU A 11 -25.195 -0.141 -13.175 1.00 14.20 H new ATOM 0 HD13 LEU A 11 -25.736 -1.423 -12.065 1.00 14.20 H new ATOM 0 HD21 LEU A 11 -24.745 -3.752 -13.707 1.00 54.01 H new ATOM 0 HD22 LEU A 11 -26.362 -3.676 -12.968 1.00 54.01 H new ATOM 0 HD23 LEU A 11 -26.194 -4.010 -14.708 1.00 54.01 H new ATOM 138 N ARG A 12 -29.671 -0.955 -16.274 1.00 74.23 N ATOM 139 CA ARG A 12 -31.088 -0.831 -16.601 1.00 2.33 C ATOM 140 C ARG A 12 -31.758 -2.176 -16.364 1.00 61.20 C ATOM 141 O ARG A 12 -31.598 -3.080 -17.180 1.00 72.22 O ATOM 142 CB ARG A 12 -31.268 -0.351 -18.047 1.00 22.43 C ATOM 143 CG ARG A 12 -32.752 -0.065 -18.343 1.00 44.23 C ATOM 144 CD ARG A 12 -33.114 -0.396 -19.792 1.00 2.14 C ATOM 145 NE ARG A 12 -32.372 0.433 -20.763 1.00 4.23 N ATOM 146 CZ ARG A 12 -32.333 0.239 -22.089 1.00 42.01 C ATOM 147 NH1 ARG A 12 -33.004 -0.770 -22.645 1.00 62.22 N ATOM 148 NH2 ARG A 12 -31.619 1.060 -22.858 1.00 11.43 N ATOM 0 H ARG A 12 -29.243 -1.809 -16.632 1.00 74.23 H new ATOM 0 HA ARG A 12 -31.558 -0.084 -15.961 1.00 2.33 H new ATOM 0 HB2 ARG A 12 -30.678 0.551 -18.213 1.00 22.43 H new ATOM 0 HB3 ARG A 12 -30.893 -1.108 -18.736 1.00 22.43 H new ATOM 0 HG2 ARG A 12 -33.377 -0.651 -17.669 1.00 44.23 H new ATOM 0 HG3 ARG A 12 -32.967 0.985 -18.145 1.00 44.23 H new ATOM 0 HD2 ARG A 12 -32.906 -1.449 -19.984 1.00 2.14 H new ATOM 0 HD3 ARG A 12 -34.184 -0.251 -19.938 1.00 2.14 H new ATOM 0 HE ARG A 12 -31.843 1.222 -20.392 1.00 4.23 H new ATOM 0 HH11 ARG A 12 -33.552 -1.401 -22.061 1.00 62.22 H new ATOM 0 HH12 ARG A 12 -32.969 -0.911 -23.655 1.00 62.22 H new ATOM 0 HH21 ARG A 12 -31.104 1.834 -22.438 1.00 11.43 H new ATOM 0 HH22 ARG A 12 -31.587 0.915 -23.867 1.00 11.43 H new ATOM 162 N LEU A 13 -32.455 -2.313 -15.243 1.00 12.25 N ATOM 163 CA LEU A 13 -33.187 -3.509 -14.847 1.00 21.32 C ATOM 164 C LEU A 13 -34.216 -3.044 -13.817 1.00 12.14 C ATOM 165 O LEU A 13 -33.982 -2.057 -13.120 1.00 51.34 O ATOM 166 CB LEU A 13 -32.229 -4.562 -14.243 1.00 11.41 C ATOM 167 CG LEU A 13 -32.529 -6.037 -14.589 1.00 25.11 C ATOM 168 CD1 LEU A 13 -33.924 -6.515 -14.172 1.00 1.41 C ATOM 169 CD2 LEU A 13 -32.319 -6.325 -16.081 1.00 21.31 C ATOM 0 H LEU A 13 -32.529 -1.562 -14.556 1.00 12.25 H new ATOM 0 HA LEU A 13 -33.670 -3.987 -15.700 1.00 21.32 H new ATOM 0 HB2 LEU A 13 -31.216 -4.332 -14.573 1.00 11.41 H new ATOM 0 HB3 LEU A 13 -32.243 -4.455 -13.158 1.00 11.41 H new ATOM 0 HG LEU A 13 -31.809 -6.603 -13.997 1.00 25.11 H new ATOM 0 HD11 LEU A 13 -34.049 -7.561 -14.453 1.00 1.41 H new ATOM 0 HD12 LEU A 13 -34.036 -6.413 -13.093 1.00 1.41 H new ATOM 0 HD13 LEU A 13 -34.680 -5.911 -14.674 1.00 1.41 H new ATOM 0 HD21 LEU A 13 -32.540 -7.373 -16.284 1.00 21.31 H new ATOM 0 HD22 LEU A 13 -32.983 -5.693 -16.671 1.00 21.31 H new ATOM 0 HD23 LEU A 13 -31.284 -6.114 -16.350 1.00 21.31 H new ATOM 181 N GLN A 14 -35.357 -3.720 -13.739 1.00 65.14 N ATOM 182 CA GLN A 14 -36.454 -3.453 -12.826 1.00 51.24 C ATOM 183 C GLN A 14 -37.305 -4.720 -12.787 1.00 35.13 C ATOM 184 O GLN A 14 -37.326 -5.478 -13.770 1.00 32.24 O ATOM 185 CB GLN A 14 -37.288 -2.235 -13.276 1.00 73.51 C ATOM 186 CG GLN A 14 -37.647 -2.167 -14.777 1.00 12.33 C ATOM 187 CD GLN A 14 -36.515 -1.622 -15.653 1.00 51.24 C ATOM 188 OE1 GLN A 14 -35.968 -2.305 -16.511 1.00 22.33 O ATOM 189 NE2 GLN A 14 -36.123 -0.373 -15.460 1.00 41.53 N ATOM 0 H GLN A 14 -35.549 -4.515 -14.349 1.00 65.14 H new ATOM 0 HA GLN A 14 -36.075 -3.204 -11.835 1.00 51.24 H new ATOM 0 HB2 GLN A 14 -38.215 -2.224 -12.702 1.00 73.51 H new ATOM 0 HB3 GLN A 14 -36.740 -1.330 -13.014 1.00 73.51 H new ATOM 0 HG2 GLN A 14 -37.915 -3.165 -15.124 1.00 12.33 H new ATOM 0 HG3 GLN A 14 -38.528 -1.538 -14.903 1.00 12.33 H new ATOM 0 HE21 GLN A 14 -36.575 0.199 -14.747 1.00 41.53 H new ATOM 0 HE22 GLN A 14 -35.368 0.018 -16.024 1.00 41.53 H new ATOM 198 N GLU A 15 -37.973 -4.978 -11.661 1.00 1.40 N ATOM 199 CA GLU A 15 -38.818 -6.157 -11.550 1.00 12.41 C ATOM 200 C GLU A 15 -40.225 -5.883 -12.077 1.00 34.21 C ATOM 201 O GLU A 15 -40.554 -4.752 -12.442 1.00 54.51 O ATOM 202 CB GLU A 15 -38.755 -6.832 -10.159 1.00 24.04 C ATOM 203 CG GLU A 15 -37.873 -8.103 -10.181 1.00 1.40 C ATOM 204 CD GLU A 15 -38.136 -8.975 -11.421 1.00 30.43 C ATOM 205 OE1 GLU A 15 -39.323 -9.184 -11.748 1.00 12.25 O ATOM 206 OE2 GLU A 15 -37.211 -9.148 -12.249 1.00 52.34 O ATOM 0 H GLU A 15 -37.943 -4.392 -10.826 1.00 1.40 H new ATOM 0 HA GLU A 15 -38.405 -6.921 -12.209 1.00 12.41 H new ATOM 0 HB2 GLU A 15 -38.358 -6.126 -9.429 1.00 24.04 H new ATOM 0 HB3 GLU A 15 -39.762 -7.093 -9.835 1.00 24.04 H new ATOM 0 HG2 GLU A 15 -36.822 -7.814 -10.159 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -38.061 -8.689 -9.281 1.00 1.40 H new ATOM 213 N LYS A 16 -41.022 -6.945 -12.210 1.00 72.31 N ATOM 214 CA LYS A 16 -42.386 -6.895 -12.725 1.00 63.22 C ATOM 215 C LYS A 16 -43.381 -7.229 -11.615 1.00 50.02 C ATOM 216 O LYS A 16 -43.023 -7.942 -10.680 1.00 42.44 O ATOM 217 CB LYS A 16 -42.543 -7.935 -13.859 1.00 34.31 C ATOM 218 CG LYS A 16 -41.968 -7.541 -15.234 1.00 63.32 C ATOM 219 CD LYS A 16 -40.461 -7.251 -15.282 1.00 5.51 C ATOM 220 CE LYS A 16 -39.638 -8.422 -14.711 1.00 72.50 C ATOM 221 NZ LYS A 16 -38.197 -8.118 -14.554 1.00 32.40 N ATOM 0 H LYS A 16 -40.726 -7.887 -11.955 1.00 72.31 H new ATOM 0 HA LYS A 16 -42.584 -5.891 -13.101 1.00 63.22 H new ATOM 0 HB2 LYS A 16 -42.065 -8.862 -13.541 1.00 34.31 H new ATOM 0 HB3 LYS A 16 -43.605 -8.150 -13.981 1.00 34.31 H new ATOM 0 HG2 LYS A 16 -42.185 -8.344 -15.939 1.00 63.32 H new ATOM 0 HG3 LYS A 16 -42.498 -6.656 -15.586 1.00 63.32 H new ATOM 0 HD2 LYS A 16 -40.159 -7.062 -16.312 1.00 5.51 H new ATOM 0 HD3 LYS A 16 -40.246 -6.345 -14.716 1.00 5.51 H new ATOM 0 HE2 LYS A 16 -40.048 -8.704 -13.741 1.00 72.50 H new ATOM 0 HE3 LYS A 16 -39.748 -9.286 -15.367 1.00 72.50 H new ATOM 0 HZ1 LYS A 16 -37.788 -8.739 -13.827 1.00 32.40 H new ATOM 0 HZ2 LYS A 16 -37.708 -8.276 -15.458 1.00 32.40 H new ATOM 0 HZ3 LYS A 16 -38.081 -7.125 -14.267 1.00 32.40 H new ATOM 235 N PRO A 17 -44.635 -6.759 -11.728 1.00 1.33 N ATOM 236 CA PRO A 17 -45.684 -7.044 -10.759 1.00 64.13 C ATOM 237 C PRO A 17 -46.026 -8.535 -10.898 1.00 74.20 C ATOM 238 O PRO A 17 -46.771 -8.920 -11.800 1.00 0.34 O ATOM 239 CB PRO A 17 -46.846 -6.112 -11.133 1.00 63.30 C ATOM 240 CG PRO A 17 -46.653 -5.874 -12.635 1.00 53.45 C ATOM 241 CD PRO A 17 -45.134 -5.898 -12.792 1.00 40.23 C ATOM 0 HA PRO A 17 -45.414 -6.869 -9.718 1.00 64.13 H new ATOM 0 HB2 PRO A 17 -47.812 -6.571 -10.921 1.00 63.30 H new ATOM 0 HB3 PRO A 17 -46.807 -5.179 -10.572 1.00 63.30 H new ATOM 0 HG2 PRO A 17 -47.133 -6.649 -13.232 1.00 53.45 H new ATOM 0 HG3 PRO A 17 -47.077 -4.921 -12.951 1.00 53.45 H new ATOM 0 HD2 PRO A 17 -44.849 -6.282 -13.771 1.00 40.23 H new ATOM 0 HD3 PRO A 17 -44.717 -4.894 -12.710 1.00 40.23 H new ATOM 249 N ALA A 18 -45.458 -9.381 -10.040 1.00 24.43 N ATOM 250 CA ALA A 18 -45.652 -10.823 -10.036 1.00 61.41 C ATOM 251 C ALA A 18 -45.715 -11.337 -8.595 1.00 4.31 C ATOM 252 O ALA A 18 -45.766 -10.553 -7.646 1.00 21.02 O ATOM 253 CB ALA A 18 -44.505 -11.469 -10.831 1.00 2.44 C ATOM 0 H ALA A 18 -44.828 -9.065 -9.303 1.00 24.43 H new ATOM 0 HA ALA A 18 -46.597 -11.088 -10.511 1.00 61.41 H new ATOM 0 HB1 ALA A 18 -44.633 -12.551 -10.840 1.00 2.44 H new ATOM 0 HB2 ALA A 18 -44.516 -11.094 -11.855 1.00 2.44 H new ATOM 0 HB3 ALA A 18 -43.553 -11.220 -10.363 1.00 2.44 H new ATOM 259 N LEU A 19 -45.780 -12.662 -8.441 1.00 10.25 N ATOM 260 CA LEU A 19 -45.832 -13.346 -7.154 1.00 65.23 C ATOM 261 C LEU A 19 -44.497 -13.071 -6.451 1.00 31.21 C ATOM 262 O LEU A 19 -43.458 -13.564 -6.888 1.00 32.11 O ATOM 263 CB LEU A 19 -46.100 -14.847 -7.385 1.00 43.31 C ATOM 264 CG LEU A 19 -46.737 -15.573 -6.183 1.00 65.11 C ATOM 265 CD1 LEU A 19 -47.042 -17.023 -6.578 1.00 63.42 C ATOM 266 CD2 LEU A 19 -45.869 -15.580 -4.923 1.00 70.00 C ATOM 0 H LEU A 19 -45.798 -13.304 -9.234 1.00 10.25 H new ATOM 0 HA LEU A 19 -46.642 -12.987 -6.519 1.00 65.23 H new ATOM 0 HB2 LEU A 19 -46.755 -14.958 -8.249 1.00 43.31 H new ATOM 0 HB3 LEU A 19 -45.159 -15.338 -7.633 1.00 43.31 H new ATOM 0 HG LEU A 19 -47.642 -15.018 -5.936 1.00 65.11 H new ATOM 0 HD11 LEU A 19 -47.493 -17.543 -5.733 1.00 63.42 H new ATOM 0 HD12 LEU A 19 -47.733 -17.033 -7.421 1.00 63.42 H new ATOM 0 HD13 LEU A 19 -46.117 -17.525 -6.862 1.00 63.42 H new ATOM 0 HD21 LEU A 19 -46.390 -16.110 -4.125 1.00 70.00 H new ATOM 0 HD22 LEU A 19 -44.924 -16.081 -5.135 1.00 70.00 H new ATOM 0 HD23 LEU A 19 -45.674 -14.554 -4.610 1.00 70.00 H new ATOM 278 N LEU A 20 -44.523 -12.233 -5.413 1.00 62.44 N ATOM 279 CA LEU A 20 -43.339 -11.858 -4.645 1.00 55.32 C ATOM 280 C LEU A 20 -42.689 -13.062 -3.962 1.00 1.02 C ATOM 281 O LEU A 20 -43.330 -14.081 -3.705 1.00 14.30 O ATOM 282 CB LEU A 20 -43.668 -10.712 -3.663 1.00 25.25 C ATOM 283 CG LEU A 20 -44.812 -10.949 -2.648 1.00 65.21 C ATOM 284 CD1 LEU A 20 -44.417 -11.797 -1.434 1.00 22.11 C ATOM 285 CD2 LEU A 20 -45.299 -9.593 -2.123 1.00 54.22 C ATOM 0 H LEU A 20 -45.380 -11.791 -5.079 1.00 62.44 H new ATOM 0 HA LEU A 20 -42.590 -11.480 -5.341 1.00 55.32 H new ATOM 0 HB2 LEU A 20 -42.763 -10.479 -3.102 1.00 25.25 H new ATOM 0 HB3 LEU A 20 -43.916 -9.827 -4.249 1.00 25.25 H new ATOM 0 HG LEU A 20 -45.582 -11.498 -3.190 1.00 65.21 H new ATOM 0 HD11 LEU A 20 -45.278 -11.913 -0.775 1.00 22.11 H new ATOM 0 HD12 LEU A 20 -44.082 -12.779 -1.769 1.00 22.11 H new ATOM 0 HD13 LEU A 20 -43.610 -11.304 -0.893 1.00 22.11 H new ATOM 0 HD21 LEU A 20 -46.106 -9.749 -1.407 1.00 54.22 H new ATOM 0 HD22 LEU A 20 -44.474 -9.075 -1.634 1.00 54.22 H new ATOM 0 HD23 LEU A 20 -45.664 -8.990 -2.955 1.00 54.22 H new ATOM 297 N PHE A 21 -41.393 -12.940 -3.675 1.00 12.33 N ATOM 298 CA PHE A 21 -40.634 -13.993 -3.018 1.00 51.53 C ATOM 299 C PHE A 21 -41.058 -14.074 -1.543 1.00 0.02 C ATOM 300 O PHE A 21 -41.427 -13.056 -0.958 1.00 32.41 O ATOM 301 CB PHE A 21 -39.130 -13.709 -3.137 1.00 72.44 C ATOM 302 CG PHE A 21 -38.566 -13.907 -4.533 1.00 43.44 C ATOM 303 CD1 PHE A 21 -38.655 -12.881 -5.495 1.00 5.34 C ATOM 304 CD2 PHE A 21 -37.953 -15.129 -4.874 1.00 74.34 C ATOM 305 CE1 PHE A 21 -38.146 -13.083 -6.791 1.00 54.32 C ATOM 306 CE2 PHE A 21 -37.439 -15.326 -6.168 1.00 15.13 C ATOM 307 CZ PHE A 21 -37.540 -14.306 -7.129 1.00 53.45 C ATOM 0 H PHE A 21 -40.845 -12.108 -3.893 1.00 12.33 H new ATOM 0 HA PHE A 21 -40.837 -14.950 -3.499 1.00 51.53 H new ATOM 0 HB2 PHE A 21 -38.940 -12.683 -2.823 1.00 72.44 H new ATOM 0 HB3 PHE A 21 -38.593 -14.359 -2.445 1.00 72.44 H new ATOM 0 HD1 PHE A 21 -39.115 -11.938 -5.237 1.00 5.34 H new ATOM 0 HD2 PHE A 21 -37.878 -15.917 -4.139 1.00 74.34 H new ATOM 0 HE1 PHE A 21 -38.221 -12.297 -7.528 1.00 54.32 H new ATOM 0 HE2 PHE A 21 -36.966 -16.263 -6.423 1.00 15.13 H new ATOM 0 HZ PHE A 21 -37.153 -14.461 -8.125 1.00 53.45 H new ATOM 317 N PRO A 22 -40.941 -15.249 -0.901 1.00 44.15 N ATOM 318 CA PRO A 22 -41.318 -15.444 0.500 1.00 63.30 C ATOM 319 C PRO A 22 -40.315 -14.830 1.493 1.00 63.12 C ATOM 320 O PRO A 22 -40.452 -15.020 2.699 1.00 42.13 O ATOM 321 CB PRO A 22 -41.430 -16.965 0.661 1.00 42.33 C ATOM 322 CG PRO A 22 -40.410 -17.501 -0.340 1.00 2.12 C ATOM 323 CD PRO A 22 -40.508 -16.503 -1.493 1.00 0.25 C ATOM 0 HA PRO A 22 -42.251 -14.931 0.731 1.00 63.30 H new ATOM 0 HB2 PRO A 22 -41.198 -17.280 1.679 1.00 42.33 H new ATOM 0 HB3 PRO A 22 -42.436 -17.320 0.439 1.00 42.33 H new ATOM 0 HG2 PRO A 22 -39.406 -17.532 0.083 1.00 2.12 H new ATOM 0 HG3 PRO A 22 -40.652 -18.514 -0.661 1.00 2.12 H new ATOM 0 HD2 PRO A 22 -39.546 -16.387 -1.992 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -41.218 -16.845 -2.246 1.00 0.25 H new ATOM 331 N GLY A 23 -39.282 -14.138 1.014 1.00 51.23 N ATOM 332 CA GLY A 23 -38.253 -13.500 1.807 1.00 31.24 C ATOM 333 C GLY A 23 -37.246 -12.865 0.857 1.00 62.44 C ATOM 334 O GLY A 23 -37.412 -12.926 -0.363 1.00 31.32 O ATOM 0 H GLY A 23 -39.141 -14.006 0.013 1.00 51.23 H new ATOM 0 HA2 GLY A 23 -38.690 -12.744 2.459 1.00 31.24 H new ATOM 0 HA3 GLY A 23 -37.761 -14.230 2.450 1.00 31.24 H new ATOM 338 N MET A 24 -36.224 -12.216 1.408 1.00 32.30 N ATOM 339 CA MET A 24 -35.160 -11.554 0.664 1.00 71.51 C ATOM 340 C MET A 24 -33.846 -11.790 1.409 1.00 14.04 C ATOM 341 O MET A 24 -33.837 -12.349 2.506 1.00 10.32 O ATOM 342 CB MET A 24 -35.442 -10.043 0.537 1.00 15.45 C ATOM 343 CG MET A 24 -36.708 -9.718 -0.265 1.00 15.23 C ATOM 344 SD MET A 24 -37.018 -7.944 -0.489 1.00 61.41 S ATOM 345 CE MET A 24 -35.752 -7.525 -1.720 1.00 63.23 C ATOM 0 H MET A 24 -36.111 -12.135 2.418 1.00 32.30 H new ATOM 0 HA MET A 24 -35.101 -11.963 -0.345 1.00 71.51 H new ATOM 0 HB2 MET A 24 -35.535 -9.614 1.535 1.00 15.45 H new ATOM 0 HB3 MET A 24 -34.588 -9.562 0.061 1.00 15.45 H new ATOM 0 HG2 MET A 24 -36.633 -10.188 -1.246 1.00 15.23 H new ATOM 0 HG3 MET A 24 -37.566 -10.164 0.237 1.00 15.23 H new ATOM 0 HE1 MET A 24 -35.884 -6.491 -2.040 1.00 63.23 H new ATOM 0 HE2 MET A 24 -34.762 -7.645 -1.280 1.00 63.23 H new ATOM 0 HE3 MET A 24 -35.849 -8.186 -2.581 1.00 63.23 H new ATOM 355 N ALA A 25 -32.732 -11.399 0.799 1.00 42.43 N ATOM 356 CA ALA A 25 -31.381 -11.490 1.298 1.00 61.50 C ATOM 357 C ALA A 25 -30.722 -10.300 0.614 1.00 54.31 C ATOM 358 O ALA A 25 -31.104 -9.961 -0.513 1.00 55.03 O ATOM 359 CB ALA A 25 -30.730 -12.813 0.878 1.00 23.02 C ATOM 0 H ALA A 25 -32.762 -10.978 -0.130 1.00 42.43 H new ATOM 0 HA ALA A 25 -31.301 -11.471 2.385 1.00 61.50 H new ATOM 0 HB1 ALA A 25 -29.712 -12.857 1.266 1.00 23.02 H new ATOM 0 HB2 ALA A 25 -31.308 -13.646 1.278 1.00 23.02 H new ATOM 0 HB3 ALA A 25 -30.706 -12.878 -0.210 1.00 23.02 H new ATOM 365 N ALA A 26 -29.791 -9.632 1.281 1.00 72.44 N ATOM 366 CA ALA A 26 -29.130 -8.484 0.697 1.00 4.51 C ATOM 367 C ALA A 26 -27.659 -8.483 1.111 1.00 54.34 C ATOM 368 O ALA A 26 -27.228 -9.329 1.895 1.00 53.01 O ATOM 369 CB ALA A 26 -29.837 -7.201 1.156 1.00 74.01 C ATOM 0 H ALA A 26 -29.480 -9.868 2.224 1.00 72.44 H new ATOM 0 HA ALA A 26 -29.181 -8.533 -0.391 1.00 4.51 H new ATOM 0 HB1 ALA A 26 -29.341 -6.335 0.717 1.00 74.01 H new ATOM 0 HB2 ALA A 26 -30.878 -7.224 0.834 1.00 74.01 H new ATOM 0 HB3 ALA A 26 -29.795 -7.131 2.243 1.00 74.01 H new ATOM 375 N SER A 27 -26.890 -7.559 0.541 1.00 63.12 N ATOM 376 CA SER A 27 -25.478 -7.402 0.849 1.00 13.54 C ATOM 377 C SER A 27 -25.355 -6.677 2.199 1.00 61.43 C ATOM 378 O SER A 27 -26.343 -6.349 2.860 1.00 35.23 O ATOM 379 CB SER A 27 -24.810 -6.633 -0.302 1.00 13.23 C ATOM 380 OG SER A 27 -23.413 -6.547 -0.127 1.00 42.41 O ATOM 0 H SER A 27 -27.235 -6.895 -0.152 1.00 63.12 H new ATOM 0 HA SER A 27 -24.970 -8.362 0.941 1.00 13.54 H new ATOM 0 HB2 SER A 27 -25.029 -7.129 -1.247 1.00 13.23 H new ATOM 0 HB3 SER A 27 -25.232 -5.630 -0.363 1.00 13.23 H new ATOM 0 HG SER A 27 -23.019 -6.054 -0.877 1.00 42.41 H new ATOM 386 N THR A 28 -24.129 -6.453 2.650 1.00 74.23 N ATOM 387 CA THR A 28 -23.810 -5.761 3.887 1.00 53.52 C ATOM 388 C THR A 28 -22.562 -4.920 3.614 1.00 23.22 C ATOM 389 O THR A 28 -21.748 -5.262 2.743 1.00 43.21 O ATOM 390 CB THR A 28 -23.632 -6.778 5.030 1.00 14.13 C ATOM 391 OG1 THR A 28 -24.742 -7.655 5.084 1.00 64.41 O ATOM 392 CG2 THR A 28 -23.531 -6.102 6.402 1.00 34.41 C ATOM 0 H THR A 28 -23.299 -6.761 2.144 1.00 74.23 H new ATOM 0 HA THR A 28 -24.613 -5.099 4.212 1.00 53.52 H new ATOM 0 HB THR A 28 -22.706 -7.313 4.818 1.00 14.13 H new ATOM 0 HG1 THR A 28 -24.616 -8.297 5.813 1.00 64.41 H new ATOM 0 HG21 THR A 28 -23.407 -6.862 7.174 1.00 34.41 H new ATOM 0 HG22 THR A 28 -22.674 -5.429 6.414 1.00 34.41 H new ATOM 0 HG23 THR A 28 -24.441 -5.534 6.596 1.00 34.41 H new ATOM 400 N VAL A 29 -22.439 -3.794 4.316 1.00 10.32 N ATOM 401 CA VAL A 29 -21.311 -2.882 4.191 1.00 51.25 C ATOM 402 C VAL A 29 -20.029 -3.557 4.693 1.00 22.51 C ATOM 403 O VAL A 29 -20.074 -4.633 5.299 1.00 33.35 O ATOM 404 CB VAL A 29 -21.613 -1.573 4.957 1.00 11.15 C ATOM 405 CG1 VAL A 29 -22.794 -0.827 4.320 1.00 41.22 C ATOM 406 CG2 VAL A 29 -21.911 -1.793 6.450 1.00 15.01 C ATOM 0 H VAL A 29 -23.134 -3.488 4.998 1.00 10.32 H new ATOM 0 HA VAL A 29 -21.156 -2.628 3.142 1.00 51.25 H new ATOM 0 HB VAL A 29 -20.704 -0.976 4.886 1.00 11.15 H new ATOM 0 HG11 VAL A 29 -22.988 0.090 4.876 1.00 41.22 H new ATOM 0 HG12 VAL A 29 -22.553 -0.581 3.286 1.00 41.22 H new ATOM 0 HG13 VAL A 29 -23.681 -1.460 4.345 1.00 41.22 H new ATOM 0 HG21 VAL A 29 -22.114 -0.834 6.926 1.00 15.01 H new ATOM 0 HG22 VAL A 29 -22.781 -2.442 6.556 1.00 15.01 H new ATOM 0 HG23 VAL A 29 -21.050 -2.260 6.928 1.00 15.01 H new ATOM 416 N GLN A 30 -18.884 -2.920 4.449 1.00 54.11 N ATOM 417 CA GLN A 30 -17.579 -3.404 4.869 1.00 53.31 C ATOM 418 C GLN A 30 -16.908 -2.332 5.723 1.00 42.00 C ATOM 419 O GLN A 30 -17.348 -1.176 5.781 1.00 50.31 O ATOM 420 CB GLN A 30 -16.740 -3.807 3.648 1.00 22.24 C ATOM 421 CG GLN A 30 -17.339 -5.040 2.959 1.00 3.22 C ATOM 422 CD GLN A 30 -16.481 -5.500 1.789 1.00 73.24 C ATOM 423 OE1 GLN A 30 -15.703 -6.451 1.898 1.00 52.21 O ATOM 424 NE2 GLN A 30 -16.633 -4.898 0.624 1.00 31.44 N ATOM 0 H GLN A 30 -18.842 -2.035 3.943 1.00 54.11 H new ATOM 0 HA GLN A 30 -17.682 -4.302 5.478 1.00 53.31 H new ATOM 0 HB2 GLN A 30 -16.694 -2.977 2.943 1.00 22.24 H new ATOM 0 HB3 GLN A 30 -15.717 -4.019 3.958 1.00 22.24 H new ATOM 0 HG2 GLN A 30 -17.435 -5.851 3.681 1.00 3.22 H new ATOM 0 HG3 GLN A 30 -18.343 -4.808 2.605 1.00 3.22 H new ATOM 0 HE21 GLN A 30 -17.277 -4.112 0.536 1.00 31.44 H new ATOM 0 HE22 GLN A 30 -16.107 -5.219 -0.188 1.00 31.44 H new ATOM 433 N VAL A 31 -15.840 -2.725 6.404 1.00 71.33 N ATOM 434 CA VAL A 31 -15.052 -1.883 7.284 1.00 35.41 C ATOM 435 C VAL A 31 -13.675 -1.679 6.655 1.00 71.20 C ATOM 436 O VAL A 31 -13.511 -1.925 5.458 1.00 51.33 O ATOM 437 CB VAL A 31 -15.048 -2.509 8.694 1.00 70.21 C ATOM 438 CG1 VAL A 31 -16.472 -2.553 9.272 1.00 32.10 C ATOM 439 CG2 VAL A 31 -14.442 -3.916 8.738 1.00 52.15 C ATOM 0 H VAL A 31 -15.487 -3.681 6.354 1.00 71.33 H new ATOM 0 HA VAL A 31 -15.474 -0.886 7.406 1.00 35.41 H new ATOM 0 HB VAL A 31 -14.412 -1.864 9.301 1.00 70.21 H new ATOM 0 HG11 VAL A 31 -16.447 -2.998 10.267 1.00 32.10 H new ATOM 0 HG12 VAL A 31 -16.870 -1.540 9.337 1.00 32.10 H new ATOM 0 HG13 VAL A 31 -17.110 -3.152 8.622 1.00 32.10 H new ATOM 0 HG21 VAL A 31 -14.472 -4.293 9.760 1.00 52.15 H new ATOM 0 HG22 VAL A 31 -15.014 -4.579 8.089 1.00 52.15 H new ATOM 0 HG23 VAL A 31 -13.408 -3.878 8.396 1.00 52.15 H new ATOM 449 N ALA A 32 -12.713 -1.140 7.404 1.00 54.45 N ATOM 450 CA ALA A 32 -11.360 -0.930 6.906 1.00 1.02 C ATOM 451 C ALA A 32 -10.373 -1.891 7.571 1.00 50.33 C ATOM 452 O ALA A 32 -9.305 -2.129 7.014 1.00 33.33 O ATOM 453 CB ALA A 32 -10.935 0.523 7.109 1.00 30.02 C ATOM 0 H ALA A 32 -12.852 -0.839 8.369 1.00 54.45 H new ATOM 0 HA ALA A 32 -11.354 -1.140 5.837 1.00 1.02 H new ATOM 0 HB1 ALA A 32 -9.922 0.662 6.731 1.00 30.02 H new ATOM 0 HB2 ALA A 32 -11.617 1.180 6.569 1.00 30.02 H new ATOM 0 HB3 ALA A 32 -10.963 0.765 8.171 1.00 30.02 H new ATOM 459 N GLY A 33 -10.715 -2.477 8.722 1.00 31.42 N ATOM 460 CA GLY A 33 -9.835 -3.393 9.423 1.00 2.52 C ATOM 461 C GLY A 33 -8.618 -2.625 9.937 1.00 33.33 C ATOM 462 O GLY A 33 -8.733 -1.815 10.864 1.00 5.31 O ATOM 0 H GLY A 33 -11.610 -2.325 9.187 1.00 31.42 H new ATOM 0 HA2 GLY A 33 -10.363 -3.860 10.254 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -9.519 -4.195 8.756 1.00 2.52 H new ATOM 466 N ARG A 34 -7.465 -2.851 9.306 1.00 53.24 N ATOM 467 CA ARG A 34 -6.186 -2.218 9.607 1.00 43.33 C ATOM 468 C ARG A 34 -6.310 -0.696 9.610 1.00 30.42 C ATOM 469 O ARG A 34 -7.131 -0.136 8.887 1.00 3.51 O ATOM 470 CB ARG A 34 -5.190 -2.615 8.502 1.00 23.31 C ATOM 471 CG ARG A 34 -4.600 -4.026 8.648 1.00 73.00 C ATOM 472 CD ARG A 34 -3.200 -3.976 9.255 1.00 73.43 C ATOM 473 NE ARG A 34 -3.235 -3.697 10.697 1.00 4.12 N ATOM 474 CZ ARG A 34 -2.246 -3.154 11.410 1.00 74.41 C ATOM 475 NH1 ARG A 34 -1.104 -2.812 10.833 1.00 5.15 N ATOM 476 NH2 ARG A 34 -2.431 -2.933 12.706 1.00 71.33 N ATOM 0 H ARG A 34 -7.397 -3.514 8.533 1.00 53.24 H new ATOM 0 HA ARG A 34 -5.853 -2.544 10.593 1.00 43.33 H new ATOM 0 HB2 ARG A 34 -5.691 -2.543 7.537 1.00 23.31 H new ATOM 0 HB3 ARG A 34 -4.373 -1.893 8.491 1.00 23.31 H new ATOM 0 HG2 ARG A 34 -5.251 -4.633 9.277 1.00 73.00 H new ATOM 0 HG3 ARG A 34 -4.560 -4.509 7.672 1.00 73.00 H new ATOM 0 HD2 ARG A 34 -2.696 -4.927 9.082 1.00 73.43 H new ATOM 0 HD3 ARG A 34 -2.614 -3.208 8.751 1.00 73.43 H new ATOM 0 HE ARG A 34 -4.090 -3.940 11.197 1.00 4.12 H new ATOM 0 HH11 ARG A 34 -0.973 -2.963 9.833 1.00 5.15 H new ATOM 0 HH12 ARG A 34 -0.356 -2.398 11.389 1.00 5.15 H new ATOM 0 HH21 ARG A 34 -3.319 -3.178 13.143 1.00 71.33 H new ATOM 0 HH22 ARG A 34 -1.685 -2.519 13.264 1.00 71.33 H new ATOM 490 N LYS A 35 -5.454 -0.040 10.396 1.00 22.20 N ATOM 491 CA LYS A 35 -5.338 1.409 10.557 1.00 2.31 C ATOM 492 C LYS A 35 -3.911 1.658 11.041 1.00 54.11 C ATOM 493 O LYS A 35 -3.718 1.994 12.209 1.00 40.41 O ATOM 494 CB LYS A 35 -6.373 1.974 11.556 1.00 53.13 C ATOM 495 CG LYS A 35 -7.747 2.240 10.928 1.00 52.44 C ATOM 496 CD LYS A 35 -8.700 2.993 11.871 1.00 53.32 C ATOM 497 CE LYS A 35 -8.609 4.526 11.811 1.00 42.25 C ATOM 498 NZ LYS A 35 -7.370 5.070 12.401 1.00 11.24 N ATOM 0 H LYS A 35 -4.780 -0.541 10.975 1.00 22.20 H new ATOM 0 HA LYS A 35 -5.542 1.919 9.616 1.00 2.31 H new ATOM 0 HB2 LYS A 35 -6.489 1.272 12.382 1.00 53.13 H new ATOM 0 HB3 LYS A 35 -5.989 2.903 11.978 1.00 53.13 H new ATOM 0 HG2 LYS A 35 -7.617 2.818 10.013 1.00 52.44 H new ATOM 0 HG3 LYS A 35 -8.201 1.291 10.643 1.00 52.44 H new ATOM 0 HD2 LYS A 35 -9.723 2.697 11.639 1.00 53.32 H new ATOM 0 HD3 LYS A 35 -8.500 2.673 12.894 1.00 53.32 H new ATOM 0 HE2 LYS A 35 -8.676 4.845 10.771 1.00 42.25 H new ATOM 0 HE3 LYS A 35 -9.467 4.953 12.331 1.00 42.25 H new ATOM 0 HZ1 LYS A 35 -7.504 6.077 12.622 1.00 11.24 H new ATOM 0 HZ2 LYS A 35 -7.144 4.551 13.274 1.00 11.24 H new ATOM 0 HZ3 LYS A 35 -6.588 4.965 11.724 1.00 11.24 H new ATOM 512 N ASP A 36 -2.911 1.356 10.211 1.00 1.21 N ATOM 513 CA ASP A 36 -1.493 1.553 10.561 1.00 21.41 C ATOM 514 C ASP A 36 -0.580 1.465 9.325 1.00 34.11 C ATOM 515 O ASP A 36 0.597 1.122 9.429 1.00 71.12 O ATOM 516 CB ASP A 36 -1.063 0.496 11.595 1.00 45.13 C ATOM 517 CG ASP A 36 -0.016 1.040 12.559 1.00 3.53 C ATOM 518 OD1 ASP A 36 -0.332 2.030 13.266 1.00 20.52 O ATOM 519 OD2 ASP A 36 1.065 0.433 12.677 1.00 42.42 O ATOM 0 H ASP A 36 -3.055 0.969 9.278 1.00 1.21 H new ATOM 0 HA ASP A 36 -1.391 2.553 10.982 1.00 21.41 H new ATOM 0 HB2 ASP A 36 -1.935 0.161 12.157 1.00 45.13 H new ATOM 0 HB3 ASP A 36 -0.663 -0.376 11.078 1.00 45.13 H new ATOM 524 N TYR A 37 -1.145 1.717 8.141 1.00 63.23 N ATOM 525 CA TYR A 37 -0.487 1.645 6.838 1.00 31.21 C ATOM 526 C TYR A 37 0.842 2.408 6.736 1.00 13.34 C ATOM 527 O TYR A 37 1.875 1.756 6.544 1.00 53.55 O ATOM 528 CB TYR A 37 -1.468 1.962 5.693 1.00 21.13 C ATOM 529 CG TYR A 37 -2.937 1.986 6.067 1.00 12.21 C ATOM 530 CD1 TYR A 37 -3.554 0.797 6.492 1.00 73.11 C ATOM 531 CD2 TYR A 37 -3.689 3.174 5.970 1.00 12.12 C ATOM 532 CE1 TYR A 37 -4.934 0.770 6.722 1.00 33.14 C ATOM 533 CE2 TYR A 37 -5.073 3.157 6.219 1.00 54.33 C ATOM 534 CZ TYR A 37 -5.704 1.941 6.562 1.00 41.44 C ATOM 535 OH TYR A 37 -7.056 1.866 6.689 1.00 3.11 O ATOM 0 H TYR A 37 -2.125 1.991 8.064 1.00 63.23 H new ATOM 0 HA TYR A 37 -0.180 0.605 6.725 1.00 31.21 H new ATOM 0 HB2 TYR A 37 -1.204 2.932 5.273 1.00 21.13 H new ATOM 0 HB3 TYR A 37 -1.326 1.224 4.904 1.00 21.13 H new ATOM 0 HD1 TYR A 37 -2.964 -0.095 6.641 1.00 73.11 H new ATOM 0 HD2 TYR A 37 -3.201 4.100 5.704 1.00 12.12 H new ATOM 0 HE1 TYR A 37 -5.411 -0.151 7.023 1.00 33.14 H new ATOM 0 HE2 TYR A 37 -5.649 4.068 6.148 1.00 54.33 H new ATOM 0 HH TYR A 37 -7.283 1.239 7.407 1.00 3.11 H new ATOM 545 N PRO A 38 0.864 3.752 6.808 1.00 12.42 N ATOM 546 CA PRO A 38 2.097 4.517 6.737 1.00 53.34 C ATOM 547 C PRO A 38 2.890 4.315 8.034 1.00 14.21 C ATOM 548 O PRO A 38 2.581 4.934 9.059 1.00 12.34 O ATOM 549 CB PRO A 38 1.663 5.970 6.546 1.00 51.11 C ATOM 550 CG PRO A 38 0.312 6.034 7.256 1.00 1.52 C ATOM 551 CD PRO A 38 -0.270 4.647 7.001 1.00 45.02 C ATOM 0 HA PRO A 38 2.750 4.207 5.921 1.00 53.34 H new ATOM 0 HB2 PRO A 38 2.380 6.664 6.984 1.00 51.11 H new ATOM 0 HB3 PRO A 38 1.574 6.227 5.490 1.00 51.11 H new ATOM 0 HG2 PRO A 38 0.424 6.236 8.321 1.00 1.52 H new ATOM 0 HG3 PRO A 38 -0.323 6.820 6.848 1.00 1.52 H new ATOM 0 HD2 PRO A 38 -0.882 4.322 7.843 1.00 45.02 H new ATOM 0 HD3 PRO A 38 -0.914 4.652 6.122 1.00 45.02 H new ATOM 559 N ALA A 39 3.881 3.431 8.008 1.00 60.25 N ATOM 560 CA ALA A 39 4.775 3.083 9.104 1.00 73.11 C ATOM 561 C ALA A 39 6.021 2.428 8.489 1.00 74.12 C ATOM 562 O ALA A 39 6.220 2.512 7.271 1.00 42.54 O ATOM 563 CB ALA A 39 4.054 2.107 10.049 1.00 72.40 C ATOM 0 H ALA A 39 4.095 2.903 7.162 1.00 60.25 H new ATOM 0 HA ALA A 39 5.065 3.962 9.680 1.00 73.11 H new ATOM 0 HB1 ALA A 39 4.717 1.841 10.873 1.00 72.40 H new ATOM 0 HB2 ALA A 39 3.155 2.580 10.445 1.00 72.40 H new ATOM 0 HB3 ALA A 39 3.778 1.206 9.500 1.00 72.40 H new ATOM 569 N LEU A 40 6.876 1.849 9.332 1.00 71.54 N ATOM 570 CA LEU A 40 8.084 1.137 8.954 1.00 41.44 C ATOM 571 C LEU A 40 7.605 -0.298 8.808 1.00 51.25 C ATOM 572 O LEU A 40 7.160 -0.905 9.790 1.00 25.11 O ATOM 573 CB LEU A 40 9.166 1.201 10.045 1.00 52.33 C ATOM 574 CG LEU A 40 9.828 2.575 10.241 1.00 31.05 C ATOM 575 CD1 LEU A 40 10.912 2.437 11.306 1.00 41.13 C ATOM 576 CD2 LEU A 40 10.477 3.101 8.961 1.00 4.30 C ATOM 0 H LEU A 40 6.733 1.868 10.342 1.00 71.54 H new ATOM 0 HA LEU A 40 8.539 1.560 8.058 1.00 41.44 H new ATOM 0 HB2 LEU A 40 8.722 0.893 10.991 1.00 52.33 H new ATOM 0 HB3 LEU A 40 9.942 0.474 9.806 1.00 52.33 H new ATOM 0 HG LEU A 40 9.051 3.281 10.535 1.00 31.05 H new ATOM 0 HD11 LEU A 40 11.395 3.402 11.461 1.00 41.13 H new ATOM 0 HD12 LEU A 40 10.463 2.102 12.241 1.00 41.13 H new ATOM 0 HD13 LEU A 40 11.654 1.708 10.978 1.00 41.13 H new ATOM 0 HD21 LEU A 40 10.929 4.073 9.155 1.00 4.30 H new ATOM 0 HD22 LEU A 40 11.246 2.403 8.630 1.00 4.30 H new ATOM 0 HD23 LEU A 40 9.719 3.202 8.184 1.00 4.30 H new ATOM 588 N LEU A 41 7.570 -0.806 7.588 1.00 15.11 N ATOM 589 CA LEU A 41 7.140 -2.160 7.296 1.00 31.20 C ATOM 590 C LEU A 41 8.302 -3.131 7.530 1.00 30.12 C ATOM 591 O LEU A 41 9.466 -2.740 7.416 1.00 60.31 O ATOM 592 CB LEU A 41 6.659 -2.217 5.845 1.00 14.31 C ATOM 593 CG LEU A 41 5.246 -1.663 5.626 1.00 61.12 C ATOM 594 CD1 LEU A 41 4.169 -2.573 6.236 1.00 13.01 C ATOM 595 CD2 LEU A 41 5.003 -0.217 6.070 1.00 13.14 C ATOM 0 H LEU A 41 7.845 -0.279 6.759 1.00 15.11 H new ATOM 0 HA LEU A 41 6.321 -2.451 7.954 1.00 31.20 H new ATOM 0 HB2 LEU A 41 7.356 -1.658 5.221 1.00 14.31 H new ATOM 0 HB3 LEU A 41 6.687 -3.252 5.506 1.00 14.31 H new ATOM 0 HG LEU A 41 5.165 -1.650 4.539 1.00 61.12 H new ATOM 0 HD11 LEU A 41 3.184 -2.142 6.057 1.00 13.01 H new ATOM 0 HD12 LEU A 41 4.222 -3.559 5.775 1.00 13.01 H new ATOM 0 HD13 LEU A 41 4.335 -2.665 7.309 1.00 13.01 H new ATOM 0 HD21 LEU A 41 3.969 0.058 5.863 1.00 13.14 H new ATOM 0 HD22 LEU A 41 5.196 -0.127 7.139 1.00 13.14 H new ATOM 0 HD23 LEU A 41 5.672 0.449 5.524 1.00 13.14 H new ATOM 607 N PRO A 42 8.016 -4.412 7.805 1.00 60.24 N ATOM 608 CA PRO A 42 9.041 -5.414 8.059 1.00 14.44 C ATOM 609 C PRO A 42 9.767 -5.890 6.791 1.00 62.34 C ATOM 610 O PRO A 42 9.318 -5.673 5.661 1.00 12.15 O ATOM 611 CB PRO A 42 8.277 -6.558 8.716 1.00 13.43 C ATOM 612 CG PRO A 42 6.886 -6.476 8.100 1.00 71.20 C ATOM 613 CD PRO A 42 6.683 -4.975 7.957 1.00 63.12 C ATOM 0 HA PRO A 42 9.840 -5.008 8.679 1.00 14.44 H new ATOM 0 HB2 PRO A 42 8.747 -7.520 8.513 1.00 13.43 H new ATOM 0 HB3 PRO A 42 8.241 -6.443 9.799 1.00 13.43 H new ATOM 0 HG2 PRO A 42 6.836 -6.987 7.138 1.00 71.20 H new ATOM 0 HG3 PRO A 42 6.130 -6.929 8.741 1.00 71.20 H new ATOM 0 HD2 PRO A 42 6.059 -4.744 7.093 1.00 63.12 H new ATOM 0 HD3 PRO A 42 6.181 -4.562 8.832 1.00 63.12 H new ATOM 621 N LEU A 43 10.896 -6.575 6.990 1.00 43.42 N ATOM 622 CA LEU A 43 11.763 -7.136 5.957 1.00 51.42 C ATOM 623 C LEU A 43 12.186 -8.570 6.295 1.00 72.51 C ATOM 624 O LEU A 43 11.999 -9.022 7.428 1.00 63.15 O ATOM 625 CB LEU A 43 12.764 -6.090 5.455 1.00 72.51 C ATOM 626 CG LEU A 43 13.935 -5.711 6.346 1.00 24.35 C ATOM 627 CD1 LEU A 43 14.581 -7.007 6.755 1.00 62.43 C ATOM 628 CD2 LEU A 43 14.904 -4.878 5.517 1.00 43.24 C ATOM 0 H LEU A 43 11.247 -6.762 7.929 1.00 43.42 H new ATOM 0 HA LEU A 43 11.240 -7.340 5.023 1.00 51.42 H new ATOM 0 HB2 LEU A 43 13.171 -6.450 4.510 1.00 72.51 H new ATOM 0 HB3 LEU A 43 12.207 -5.179 5.236 1.00 72.51 H new ATOM 0 HG LEU A 43 13.634 -5.136 7.222 1.00 24.35 H new ATOM 0 HD11 LEU A 43 15.435 -6.800 7.401 1.00 62.43 H new ATOM 0 HD12 LEU A 43 13.858 -7.620 7.294 1.00 62.43 H new ATOM 0 HD13 LEU A 43 14.919 -7.541 5.867 1.00 62.43 H new ATOM 0 HD21 LEU A 43 15.756 -4.591 6.133 1.00 43.24 H new ATOM 0 HD22 LEU A 43 15.252 -5.464 4.666 1.00 43.24 H new ATOM 0 HD23 LEU A 43 14.398 -3.982 5.158 1.00 43.24 H new ATOM 640 N ASN A 44 12.737 -9.294 5.313 1.00 4.22 N ATOM 641 CA ASN A 44 13.225 -10.659 5.475 1.00 42.11 C ATOM 642 C ASN A 44 14.708 -10.674 5.137 1.00 25.05 C ATOM 643 O ASN A 44 15.066 -10.669 3.961 1.00 4.52 O ATOM 644 CB ASN A 44 12.487 -11.635 4.563 1.00 22.21 C ATOM 645 CG ASN A 44 12.956 -13.065 4.816 1.00 63.05 C ATOM 646 OD1 ASN A 44 13.587 -13.395 5.824 1.00 21.12 O ATOM 647 ND2 ASN A 44 12.652 -13.946 3.891 1.00 71.34 N ATOM 0 H ASN A 44 12.856 -8.935 4.366 1.00 4.22 H new ATOM 0 HA ASN A 44 13.052 -10.975 6.504 1.00 42.11 H new ATOM 0 HB2 ASN A 44 11.413 -11.562 4.737 1.00 22.21 H new ATOM 0 HB3 ASN A 44 12.660 -11.369 3.520 1.00 22.21 H new ATOM 0 HD21 ASN A 44 12.938 -14.919 4.000 1.00 71.34 H new ATOM 0 HD22 ASN A 44 12.130 -13.657 3.064 1.00 71.34 H new ATOM 654 N GLU A 45 15.580 -10.690 6.142 1.00 63.23 N ATOM 655 CA GLU A 45 17.024 -10.692 5.919 1.00 31.41 C ATOM 656 C GLU A 45 17.552 -11.979 5.272 1.00 20.33 C ATOM 657 O GLU A 45 18.683 -11.986 4.787 1.00 62.40 O ATOM 658 CB GLU A 45 17.757 -10.294 7.211 1.00 74.24 C ATOM 659 CG GLU A 45 17.582 -11.230 8.422 1.00 44.25 C ATOM 660 CD GLU A 45 18.241 -10.681 9.703 1.00 62.15 C ATOM 661 OE1 GLU A 45 18.998 -9.684 9.663 1.00 71.04 O ATOM 662 OE2 GLU A 45 18.018 -11.224 10.808 1.00 75.12 O ATOM 0 H GLU A 45 15.309 -10.702 7.125 1.00 63.23 H new ATOM 0 HA GLU A 45 17.244 -9.932 5.169 1.00 31.41 H new ATOM 0 HB2 GLU A 45 18.822 -10.220 6.989 1.00 74.24 H new ATOM 0 HB3 GLU A 45 17.421 -9.298 7.500 1.00 74.24 H new ATOM 0 HG2 GLU A 45 16.519 -11.386 8.604 1.00 44.25 H new ATOM 0 HG3 GLU A 45 18.011 -12.204 8.187 1.00 44.25 H new ATOM 669 N SER A 46 16.735 -13.030 5.204 1.00 31.14 N ATOM 670 CA SER A 46 17.077 -14.323 4.624 1.00 40.12 C ATOM 671 C SER A 46 16.751 -14.406 3.126 1.00 34.55 C ATOM 672 O SER A 46 16.991 -15.446 2.514 1.00 13.42 O ATOM 673 CB SER A 46 16.259 -15.369 5.385 1.00 41.53 C ATOM 674 OG SER A 46 16.952 -16.580 5.619 1.00 34.22 O ATOM 0 H SER A 46 15.782 -13.000 5.566 1.00 31.14 H new ATOM 0 HA SER A 46 18.151 -14.487 4.712 1.00 40.12 H new ATOM 0 HB2 SER A 46 15.950 -14.948 6.342 1.00 41.53 H new ATOM 0 HB3 SER A 46 15.350 -15.585 4.823 1.00 41.53 H new ATOM 0 HG SER A 46 16.372 -17.199 6.109 1.00 34.22 H new ATOM 680 N GLU A 47 16.200 -13.351 2.519 1.00 11.35 N ATOM 681 CA GLU A 47 15.814 -13.305 1.106 1.00 63.45 C ATOM 682 C GLU A 47 16.470 -12.087 0.426 1.00 42.13 C ATOM 683 O GLU A 47 15.910 -11.446 -0.465 1.00 73.03 O ATOM 684 CB GLU A 47 14.278 -13.363 1.061 1.00 21.14 C ATOM 685 CG GLU A 47 13.611 -13.555 -0.306 1.00 14.23 C ATOM 686 CD GLU A 47 13.841 -14.921 -0.963 1.00 24.34 C ATOM 687 OE1 GLU A 47 14.946 -15.163 -1.507 1.00 13.43 O ATOM 688 OE2 GLU A 47 12.903 -15.748 -0.989 1.00 33.03 O ATOM 0 H GLU A 47 16.004 -12.480 3.012 1.00 11.35 H new ATOM 0 HA GLU A 47 16.178 -14.153 0.526 1.00 63.45 H new ATOM 0 HB2 GLU A 47 13.954 -14.177 1.709 1.00 21.14 H new ATOM 0 HB3 GLU A 47 13.895 -12.439 1.494 1.00 21.14 H new ATOM 0 HG2 GLU A 47 12.538 -13.401 -0.193 1.00 14.23 H new ATOM 0 HG3 GLU A 47 13.975 -12.780 -0.981 1.00 14.23 H new ATOM 695 N LEU A 48 17.672 -11.731 0.890 1.00 53.20 N ATOM 696 CA LEU A 48 18.460 -10.618 0.383 1.00 44.12 C ATOM 697 C LEU A 48 19.717 -11.188 -0.272 1.00 63.40 C ATOM 698 O LEU A 48 20.557 -11.791 0.401 1.00 51.21 O ATOM 699 CB LEU A 48 18.827 -9.628 1.505 1.00 54.44 C ATOM 700 CG LEU A 48 17.671 -9.186 2.416 1.00 50.34 C ATOM 701 CD1 LEU A 48 18.168 -8.133 3.414 1.00 1.44 C ATOM 702 CD2 LEU A 48 16.465 -8.600 1.676 1.00 0.15 C ATOM 0 H LEU A 48 18.132 -12.229 1.652 1.00 53.20 H new ATOM 0 HA LEU A 48 17.875 -10.059 -0.347 1.00 44.12 H new ATOM 0 HB2 LEU A 48 19.599 -10.082 2.126 1.00 54.44 H new ATOM 0 HB3 LEU A 48 19.265 -8.740 1.050 1.00 54.44 H new ATOM 0 HG LEU A 48 17.334 -10.097 2.911 1.00 50.34 H new ATOM 0 HD11 LEU A 48 17.344 -7.824 4.057 1.00 1.44 H new ATOM 0 HD12 LEU A 48 18.965 -8.558 4.024 1.00 1.44 H new ATOM 0 HD13 LEU A 48 18.549 -7.268 2.871 1.00 1.44 H new ATOM 0 HD21 LEU A 48 15.699 -8.316 2.397 1.00 0.15 H new ATOM 0 HD22 LEU A 48 16.776 -7.721 1.112 1.00 0.15 H new ATOM 0 HD23 LEU A 48 16.060 -9.346 0.992 1.00 0.15 H new ATOM 714 N GLU A 49 19.863 -10.967 -1.576 1.00 74.12 N ATOM 715 CA GLU A 49 20.999 -11.424 -2.365 1.00 45.25 C ATOM 716 C GLU A 49 21.867 -10.180 -2.557 1.00 15.12 C ATOM 717 O GLU A 49 21.478 -9.288 -3.324 1.00 11.23 O ATOM 718 CB GLU A 49 20.541 -11.903 -3.752 1.00 54.11 C ATOM 719 CG GLU A 49 19.536 -13.060 -3.809 1.00 72.23 C ATOM 720 CD GLU A 49 19.021 -13.215 -5.246 1.00 71.22 C ATOM 721 OE1 GLU A 49 18.698 -12.193 -5.897 1.00 25.04 O ATOM 722 OE2 GLU A 49 18.988 -14.344 -5.784 1.00 22.33 O ATOM 0 H GLU A 49 19.175 -10.452 -2.125 1.00 74.12 H new ATOM 0 HA GLU A 49 21.515 -12.249 -1.873 1.00 45.25 H new ATOM 0 HB2 GLU A 49 20.103 -11.052 -4.273 1.00 54.11 H new ATOM 0 HB3 GLU A 49 21.427 -12.200 -4.314 1.00 54.11 H new ATOM 0 HG2 GLU A 49 20.009 -13.985 -3.479 1.00 72.23 H new ATOM 0 HG3 GLU A 49 18.704 -12.868 -3.131 1.00 72.23 H new ATOM 729 N GLU A 50 22.984 -10.040 -1.840 1.00 34.13 N ATOM 730 CA GLU A 50 23.816 -8.850 -2.011 1.00 52.43 C ATOM 731 C GLU A 50 24.757 -9.069 -3.192 1.00 35.05 C ATOM 732 O GLU A 50 24.970 -10.203 -3.637 1.00 74.45 O ATOM 733 CB GLU A 50 24.587 -8.492 -0.727 1.00 11.04 C ATOM 734 CG GLU A 50 25.928 -9.215 -0.531 1.00 65.12 C ATOM 735 CD GLU A 50 26.661 -8.643 0.675 1.00 61.25 C ATOM 736 OE1 GLU A 50 26.370 -9.113 1.798 1.00 61.52 O ATOM 737 OE2 GLU A 50 27.546 -7.777 0.487 1.00 14.22 O ATOM 0 H GLU A 50 23.325 -10.714 -1.155 1.00 34.13 H new ATOM 0 HA GLU A 50 23.171 -7.997 -2.219 1.00 52.43 H new ATOM 0 HB2 GLU A 50 24.771 -7.418 -0.723 1.00 11.04 H new ATOM 0 HB3 GLU A 50 23.950 -8.709 0.130 1.00 11.04 H new ATOM 0 HG2 GLU A 50 25.757 -10.282 -0.390 1.00 65.12 H new ATOM 0 HG3 GLU A 50 26.542 -9.106 -1.425 1.00 65.12 H new ATOM 744 N GLN A 51 25.339 -7.983 -3.691 1.00 4.45 N ATOM 745 CA GLN A 51 26.269 -8.006 -4.806 1.00 51.44 C ATOM 746 C GLN A 51 27.572 -7.421 -4.284 1.00 33.33 C ATOM 747 O GLN A 51 27.585 -6.368 -3.633 1.00 34.43 O ATOM 748 CB GLN A 51 25.716 -7.187 -5.976 1.00 64.21 C ATOM 749 CG GLN A 51 24.408 -7.729 -6.576 1.00 14.41 C ATOM 750 CD GLN A 51 23.619 -6.632 -7.294 1.00 71.51 C ATOM 751 OE1 GLN A 51 24.179 -5.684 -7.843 1.00 43.04 O ATOM 752 NE2 GLN A 51 22.300 -6.704 -7.279 1.00 45.01 N ATOM 0 H GLN A 51 25.172 -7.047 -3.322 1.00 4.45 H new ATOM 0 HA GLN A 51 26.425 -9.017 -5.181 1.00 51.44 H new ATOM 0 HB2 GLN A 51 25.549 -6.164 -5.639 1.00 64.21 H new ATOM 0 HB3 GLN A 51 26.471 -7.145 -6.762 1.00 64.21 H new ATOM 0 HG2 GLN A 51 24.634 -8.533 -7.277 1.00 14.41 H new ATOM 0 HG3 GLN A 51 23.795 -8.160 -5.784 1.00 14.41 H new ATOM 0 HE21 GLN A 51 21.837 -7.491 -6.823 1.00 45.01 H new ATOM 0 HE22 GLN A 51 21.744 -5.973 -7.723 1.00 45.01 H new ATOM 761 N PHE A 52 28.666 -8.141 -4.509 1.00 74.23 N ATOM 762 CA PHE A 52 29.981 -7.701 -4.084 1.00 54.11 C ATOM 763 C PHE A 52 30.574 -6.828 -5.181 1.00 34.41 C ATOM 764 O PHE A 52 30.404 -7.125 -6.370 1.00 44.13 O ATOM 765 CB PHE A 52 30.882 -8.898 -3.789 1.00 34.54 C ATOM 766 CG PHE A 52 30.487 -9.715 -2.569 1.00 65.53 C ATOM 767 CD1 PHE A 52 30.553 -9.162 -1.275 1.00 74.23 C ATOM 768 CD2 PHE A 52 30.100 -11.057 -2.720 1.00 1.43 C ATOM 769 CE1 PHE A 52 30.246 -9.943 -0.148 1.00 22.15 C ATOM 770 CE2 PHE A 52 29.801 -11.842 -1.594 1.00 73.52 C ATOM 771 CZ PHE A 52 29.878 -11.289 -0.308 1.00 24.15 C ATOM 0 H PHE A 52 28.662 -9.041 -4.989 1.00 74.23 H new ATOM 0 HA PHE A 52 29.899 -7.124 -3.163 1.00 54.11 H new ATOM 0 HB2 PHE A 52 30.887 -9.553 -4.660 1.00 34.54 H new ATOM 0 HB3 PHE A 52 31.903 -8.540 -3.653 1.00 34.54 H new ATOM 0 HD1 PHE A 52 30.842 -8.129 -1.148 1.00 74.23 H new ATOM 0 HD2 PHE A 52 30.032 -11.488 -3.708 1.00 1.43 H new ATOM 0 HE1 PHE A 52 30.293 -9.509 0.840 1.00 22.15 H new ATOM 0 HE2 PHE A 52 29.511 -12.875 -1.719 1.00 73.52 H new ATOM 0 HZ PHE A 52 29.655 -11.896 0.557 1.00 24.15 H new ATOM 781 N VAL A 53 31.305 -5.786 -4.791 1.00 51.40 N ATOM 782 CA VAL A 53 31.951 -4.845 -5.688 1.00 5.23 C ATOM 783 C VAL A 53 33.379 -4.701 -5.171 1.00 12.32 C ATOM 784 O VAL A 53 33.578 -4.162 -4.081 1.00 31.50 O ATOM 785 CB VAL A 53 31.194 -3.499 -5.723 1.00 51.32 C ATOM 786 CG1 VAL A 53 31.536 -2.757 -7.016 1.00 32.25 C ATOM 787 CG2 VAL A 53 29.668 -3.629 -5.617 1.00 35.24 C ATOM 0 H VAL A 53 31.466 -5.571 -3.807 1.00 51.40 H new ATOM 0 HA VAL A 53 31.950 -5.196 -6.720 1.00 5.23 H new ATOM 0 HB VAL A 53 31.522 -2.948 -4.841 1.00 51.32 H new ATOM 0 HG11 VAL A 53 31.003 -1.807 -7.042 1.00 32.25 H new ATOM 0 HG12 VAL A 53 32.609 -2.572 -7.056 1.00 32.25 H new ATOM 0 HG13 VAL A 53 31.240 -3.363 -7.872 1.00 32.25 H new ATOM 0 HG21 VAL A 53 29.215 -2.638 -5.649 1.00 35.24 H new ATOM 0 HG22 VAL A 53 29.295 -4.226 -6.449 1.00 35.24 H new ATOM 0 HG23 VAL A 53 29.409 -4.116 -4.677 1.00 35.24 H new ATOM 797 N LYS A 54 34.363 -5.220 -5.906 1.00 54.31 N ATOM 798 CA LYS A 54 35.780 -5.171 -5.523 1.00 73.40 C ATOM 799 C LYS A 54 36.600 -4.247 -6.421 1.00 60.32 C ATOM 800 O LYS A 54 37.761 -3.972 -6.120 1.00 63.22 O ATOM 801 CB LYS A 54 36.359 -6.596 -5.501 1.00 60.23 C ATOM 802 CG LYS A 54 35.713 -7.465 -4.404 1.00 74.23 C ATOM 803 CD LYS A 54 36.356 -8.854 -4.297 1.00 44.44 C ATOM 804 CE LYS A 54 35.964 -9.758 -5.473 1.00 34.34 C ATOM 805 NZ LYS A 54 36.697 -11.040 -5.448 1.00 43.34 N ATOM 0 H LYS A 54 34.200 -5.692 -6.795 1.00 54.31 H new ATOM 0 HA LYS A 54 35.842 -4.745 -4.521 1.00 73.40 H new ATOM 0 HB2 LYS A 54 36.205 -7.065 -6.473 1.00 60.23 H new ATOM 0 HB3 LYS A 54 37.436 -6.547 -5.338 1.00 60.23 H new ATOM 0 HG2 LYS A 54 35.797 -6.955 -3.445 1.00 74.23 H new ATOM 0 HG3 LYS A 54 34.649 -7.576 -4.613 1.00 74.23 H new ATOM 0 HD2 LYS A 54 37.441 -8.750 -4.265 1.00 44.44 H new ATOM 0 HD3 LYS A 54 36.052 -9.323 -3.361 1.00 44.44 H new ATOM 0 HE2 LYS A 54 34.892 -9.952 -5.441 1.00 34.34 H new ATOM 0 HE3 LYS A 54 36.167 -9.242 -6.411 1.00 34.34 H new ATOM 0 HZ1 LYS A 54 36.405 -11.623 -6.258 1.00 43.34 H new ATOM 0 HZ2 LYS A 54 37.719 -10.857 -5.504 1.00 43.34 H new ATOM 0 HZ3 LYS A 54 36.484 -11.545 -4.564 1.00 43.34 H new ATOM 819 N GLY A 55 36.021 -3.735 -7.501 1.00 11.11 N ATOM 820 CA GLY A 55 36.672 -2.848 -8.449 1.00 74.53 C ATOM 821 C GLY A 55 35.667 -2.478 -9.530 1.00 12.12 C ATOM 822 O GLY A 55 34.460 -2.488 -9.270 1.00 52.45 O ATOM 0 H GLY A 55 35.051 -3.935 -7.746 1.00 11.11 H new ATOM 0 HA2 GLY A 55 37.032 -1.952 -7.944 1.00 74.53 H new ATOM 0 HA3 GLY A 55 37.541 -3.336 -8.890 1.00 74.53 H new ATOM 826 N HIS A 56 36.163 -2.182 -10.734 1.00 62.43 N ATOM 827 CA HIS A 56 35.364 -1.799 -11.896 1.00 62.52 C ATOM 828 C HIS A 56 34.392 -0.665 -11.546 1.00 71.13 C ATOM 829 O HIS A 56 33.181 -0.765 -11.754 1.00 52.04 O ATOM 830 CB HIS A 56 34.698 -3.040 -12.517 1.00 23.24 C ATOM 831 CG HIS A 56 34.165 -2.799 -13.907 1.00 54.42 C ATOM 832 ND1 HIS A 56 34.925 -2.615 -15.039 1.00 12.23 N ATOM 833 CD2 HIS A 56 32.848 -2.719 -14.273 1.00 35.43 C ATOM 834 CE1 HIS A 56 34.085 -2.413 -16.062 1.00 21.13 C ATOM 835 NE2 HIS A 56 32.805 -2.525 -15.664 1.00 55.41 N ATOM 0 H HIS A 56 37.164 -2.204 -10.931 1.00 62.43 H new ATOM 0 HA HIS A 56 36.013 -1.388 -12.670 1.00 62.52 H new ATOM 0 HB2 HIS A 56 35.422 -3.854 -12.549 1.00 23.24 H new ATOM 0 HB3 HIS A 56 33.881 -3.365 -11.873 1.00 23.24 H new ATOM 0 HD2 HIS A 56 31.997 -2.792 -13.612 1.00 35.43 H new ATOM 0 HE1 HIS A 56 34.394 -2.190 -17.072 1.00 21.13 H new ATOM 0 HE2 HIS A 56 31.973 -2.479 -16.252 1.00 55.41 H new ATOM 843 N GLY A 57 34.915 0.388 -10.909 1.00 74.32 N ATOM 844 CA GLY A 57 34.112 1.544 -10.537 1.00 10.33 C ATOM 845 C GLY A 57 33.797 2.364 -11.795 1.00 3.52 C ATOM 846 O GLY A 57 34.529 2.261 -12.780 1.00 34.42 O ATOM 0 H GLY A 57 35.897 0.458 -10.642 1.00 74.32 H new ATOM 0 HA2 GLY A 57 33.188 1.221 -10.058 1.00 10.33 H new ATOM 0 HA3 GLY A 57 34.649 2.157 -9.813 1.00 10.33 H new ATOM 850 N PRO A 58 32.776 3.233 -11.771 1.00 51.43 N ATOM 851 CA PRO A 58 32.371 4.078 -12.900 1.00 4.33 C ATOM 852 C PRO A 58 33.294 5.301 -13.065 1.00 31.31 C ATOM 853 O PRO A 58 32.850 6.364 -13.501 1.00 74.25 O ATOM 854 CB PRO A 58 30.930 4.473 -12.553 1.00 64.13 C ATOM 855 CG PRO A 58 30.985 4.608 -11.035 1.00 41.12 C ATOM 856 CD PRO A 58 31.870 3.429 -10.650 1.00 12.41 C ATOM 0 HA PRO A 58 32.441 3.565 -13.859 1.00 4.33 H new ATOM 0 HB2 PRO A 58 30.638 5.407 -13.034 1.00 64.13 H new ATOM 0 HB3 PRO A 58 30.214 3.714 -12.868 1.00 64.13 H new ATOM 0 HG2 PRO A 58 31.415 5.560 -10.724 1.00 41.12 H new ATOM 0 HG3 PRO A 58 29.996 4.542 -10.582 1.00 41.12 H new ATOM 0 HD2 PRO A 58 32.421 3.637 -9.733 1.00 12.41 H new ATOM 0 HD3 PRO A 58 31.274 2.535 -10.468 1.00 12.41 H new ATOM 864 N GLY A 59 34.569 5.175 -12.697 1.00 53.11 N ATOM 865 CA GLY A 59 35.538 6.252 -12.773 1.00 54.44 C ATOM 866 C GLY A 59 35.266 7.275 -11.670 1.00 71.35 C ATOM 867 O GLY A 59 34.447 7.033 -10.776 1.00 31.40 O ATOM 0 H GLY A 59 34.957 4.305 -12.333 1.00 53.11 H new ATOM 0 HA2 GLY A 59 36.547 5.853 -12.670 1.00 54.44 H new ATOM 0 HA3 GLY A 59 35.484 6.734 -13.749 1.00 54.44 H new ATOM 871 N GLY A 60 35.982 8.398 -11.688 1.00 25.45 N ATOM 872 CA GLY A 60 35.819 9.460 -10.709 1.00 63.51 C ATOM 873 C GLY A 60 37.151 10.129 -10.417 1.00 13.53 C ATOM 874 O GLY A 60 37.617 10.943 -11.220 1.00 55.15 O ATOM 0 H GLY A 60 36.696 8.594 -12.390 1.00 25.45 H new ATOM 0 HA2 GLY A 60 35.109 10.199 -11.081 1.00 63.51 H new ATOM 0 HA3 GLY A 60 35.402 9.052 -9.788 1.00 63.51 H new ATOM 878 N GLN A 61 37.751 9.822 -9.266 1.00 30.42 N ATOM 879 CA GLN A 61 39.034 10.392 -8.872 1.00 14.42 C ATOM 880 C GLN A 61 40.184 9.681 -9.591 1.00 33.33 C ATOM 881 O GLN A 61 40.030 8.586 -10.131 1.00 12.11 O ATOM 882 CB GLN A 61 39.201 10.301 -7.347 1.00 62.22 C ATOM 883 CG GLN A 61 38.262 11.282 -6.634 1.00 71.05 C ATOM 884 CD GLN A 61 38.296 11.116 -5.119 1.00 41.43 C ATOM 885 OE1 GLN A 61 39.352 10.984 -4.511 1.00 60.45 O ATOM 886 NE2 GLN A 61 37.140 11.105 -4.481 1.00 1.03 N ATOM 0 H GLN A 61 37.360 9.172 -8.584 1.00 30.42 H new ATOM 0 HA GLN A 61 39.057 11.442 -9.162 1.00 14.42 H new ATOM 0 HB2 GLN A 61 38.992 9.284 -7.014 1.00 62.22 H new ATOM 0 HB3 GLN A 61 40.234 10.519 -7.077 1.00 62.22 H new ATOM 0 HG2 GLN A 61 38.543 12.303 -6.892 1.00 71.05 H new ATOM 0 HG3 GLN A 61 37.243 11.132 -6.991 1.00 71.05 H new ATOM 0 HE21 GLN A 61 36.269 11.216 -5.001 1.00 1.03 H new ATOM 0 HE22 GLN A 61 37.118 10.985 -3.468 1.00 1.03 H new ATOM 895 N ALA A 62 41.370 10.294 -9.532 1.00 4.13 N ATOM 896 CA ALA A 62 42.593 9.793 -10.149 1.00 41.10 C ATOM 897 C ALA A 62 43.140 8.506 -9.504 1.00 74.22 C ATOM 898 O ALA A 62 44.166 8.008 -9.961 1.00 13.22 O ATOM 899 CB ALA A 62 43.653 10.904 -10.112 1.00 34.41 C ATOM 0 H ALA A 62 41.505 11.177 -9.039 1.00 4.13 H new ATOM 0 HA ALA A 62 42.348 9.519 -11.175 1.00 41.10 H new ATOM 0 HB1 ALA A 62 44.574 10.544 -10.570 1.00 34.41 H new ATOM 0 HB2 ALA A 62 43.290 11.772 -10.662 1.00 34.41 H new ATOM 0 HB3 ALA A 62 43.849 11.186 -9.077 1.00 34.41 H new ATOM 905 N THR A 63 42.559 8.007 -8.407 1.00 15.54 N ATOM 906 CA THR A 63 43.014 6.781 -7.761 1.00 42.33 C ATOM 907 C THR A 63 41.790 5.978 -7.318 1.00 4.52 C ATOM 908 O THR A 63 40.718 6.538 -7.087 1.00 20.44 O ATOM 909 CB THR A 63 44.003 7.057 -6.607 1.00 52.43 C ATOM 910 OG1 THR A 63 43.396 7.708 -5.512 1.00 4.25 O ATOM 911 CG2 THR A 63 45.244 7.866 -7.002 1.00 1.12 C ATOM 0 H THR A 63 41.761 8.445 -7.946 1.00 15.54 H new ATOM 0 HA THR A 63 43.582 6.186 -8.476 1.00 42.33 H new ATOM 0 HB THR A 63 44.326 6.055 -6.324 1.00 52.43 H new ATOM 0 HG1 THR A 63 44.063 7.858 -4.810 1.00 4.25 H new ATOM 0 HG21 THR A 63 45.878 8.009 -6.127 1.00 1.12 H new ATOM 0 HG22 THR A 63 45.800 7.328 -7.769 1.00 1.12 H new ATOM 0 HG23 THR A 63 44.937 8.837 -7.390 1.00 1.12 H new ATOM 919 N ASN A 64 41.982 4.673 -7.123 1.00 20.32 N ATOM 920 CA ASN A 64 40.975 3.695 -6.718 1.00 41.31 C ATOM 921 C ASN A 64 41.432 2.902 -5.484 1.00 33.03 C ATOM 922 O ASN A 64 41.051 1.745 -5.319 1.00 55.14 O ATOM 923 CB ASN A 64 40.697 2.758 -7.908 1.00 32.03 C ATOM 924 CG ASN A 64 41.862 1.812 -8.203 1.00 44.33 C ATOM 925 OD1 ASN A 64 43.023 2.143 -7.968 1.00 13.03 O ATOM 926 ND2 ASN A 64 41.585 0.638 -8.744 1.00 44.44 N ATOM 0 H ASN A 64 42.900 4.246 -7.252 1.00 20.32 H new ATOM 0 HA ASN A 64 40.058 4.213 -6.437 1.00 41.31 H new ATOM 0 HB2 ASN A 64 39.802 2.171 -7.701 1.00 32.03 H new ATOM 0 HB3 ASN A 64 40.488 3.357 -8.795 1.00 32.03 H new ATOM 0 HD21 ASN A 64 42.340 -0.009 -8.973 1.00 44.44 H new ATOM 0 HD22 ASN A 64 40.617 0.379 -8.932 1.00 44.44 H new ATOM 933 N LYS A 65 42.279 3.497 -4.628 1.00 13.30 N ATOM 934 CA LYS A 65 42.791 2.842 -3.415 1.00 54.42 C ATOM 935 C LYS A 65 41.644 2.280 -2.569 1.00 0.32 C ATOM 936 O LYS A 65 41.775 1.187 -2.014 1.00 22.12 O ATOM 937 CB LYS A 65 43.661 3.809 -2.590 1.00 64.45 C ATOM 938 CG LYS A 65 44.989 4.216 -3.257 1.00 63.15 C ATOM 939 CD LYS A 65 45.995 3.055 -3.354 1.00 12.15 C ATOM 940 CE LYS A 65 47.344 3.478 -3.961 1.00 75.11 C ATOM 941 NZ LYS A 65 48.115 4.401 -3.092 1.00 43.23 N ATOM 0 H LYS A 65 42.628 4.447 -4.759 1.00 13.30 H new ATOM 0 HA LYS A 65 43.420 2.007 -3.726 1.00 54.42 H new ATOM 0 HB2 LYS A 65 43.083 4.710 -2.385 1.00 64.45 H new ATOM 0 HB3 LYS A 65 43.881 3.346 -1.628 1.00 64.45 H new ATOM 0 HG2 LYS A 65 44.785 4.597 -4.258 1.00 63.15 H new ATOM 0 HG3 LYS A 65 45.438 5.032 -2.691 1.00 63.15 H new ATOM 0 HD2 LYS A 65 46.164 2.643 -2.359 1.00 12.15 H new ATOM 0 HD3 LYS A 65 45.564 2.258 -3.960 1.00 12.15 H new ATOM 0 HE2 LYS A 65 47.942 2.588 -4.155 1.00 75.11 H new ATOM 0 HE3 LYS A 65 47.167 3.959 -4.923 1.00 75.11 H new ATOM 0 HZ1 LYS A 65 49.019 4.634 -3.549 1.00 43.23 H new ATOM 0 HZ2 LYS A 65 47.569 5.273 -2.940 1.00 43.23 H new ATOM 0 HZ3 LYS A 65 48.298 3.944 -2.176 1.00 43.23 H new ATOM 955 N THR A 66 40.554 3.027 -2.424 1.00 43.34 N ATOM 956 CA THR A 66 39.405 2.570 -1.668 1.00 30.44 C ATOM 957 C THR A 66 38.582 1.722 -2.648 1.00 4.34 C ATOM 958 O THR A 66 38.332 2.142 -3.782 1.00 21.41 O ATOM 959 CB THR A 66 38.621 3.764 -1.105 1.00 62.01 C ATOM 960 OG1 THR A 66 39.501 4.797 -0.693 1.00 43.31 O ATOM 961 CG2 THR A 66 37.798 3.338 0.116 1.00 12.43 C ATOM 0 H THR A 66 40.447 3.958 -2.826 1.00 43.34 H new ATOM 0 HA THR A 66 39.684 1.977 -0.797 1.00 30.44 H new ATOM 0 HB THR A 66 37.966 4.124 -1.899 1.00 62.01 H new ATOM 0 HG1 THR A 66 38.981 5.548 -0.339 1.00 43.31 H new ATOM 0 HG21 THR A 66 37.249 4.197 0.502 1.00 12.43 H new ATOM 0 HG22 THR A 66 37.094 2.558 -0.174 1.00 12.43 H new ATOM 0 HG23 THR A 66 38.465 2.956 0.889 1.00 12.43 H new ATOM 969 N SER A 67 38.169 0.525 -2.230 1.00 22.03 N ATOM 970 CA SER A 67 37.391 -0.387 -3.057 1.00 73.30 C ATOM 971 C SER A 67 36.275 -1.090 -2.274 1.00 20.53 C ATOM 972 O SER A 67 35.675 -2.030 -2.799 1.00 34.03 O ATOM 973 CB SER A 67 38.345 -1.371 -3.761 1.00 41.24 C ATOM 974 OG SER A 67 37.999 -1.480 -5.129 1.00 23.54 O ATOM 0 H SER A 67 38.369 0.161 -1.298 1.00 22.03 H new ATOM 0 HA SER A 67 36.869 0.191 -3.820 1.00 73.30 H new ATOM 0 HB2 SER A 67 39.374 -1.026 -3.663 1.00 41.24 H new ATOM 0 HB3 SER A 67 38.290 -2.349 -3.284 1.00 41.24 H new ATOM 0 HG SER A 67 38.173 -2.393 -5.439 1.00 23.54 H new ATOM 980 N ASN A 68 36.015 -0.705 -1.019 1.00 13.45 N ATOM 981 CA ASN A 68 34.958 -1.322 -0.221 1.00 61.44 C ATOM 982 C ASN A 68 33.644 -0.625 -0.565 1.00 43.14 C ATOM 983 O ASN A 68 33.459 0.542 -0.200 1.00 11.54 O ATOM 984 CB ASN A 68 35.262 -1.249 1.282 1.00 64.24 C ATOM 985 CG ASN A 68 34.169 -1.919 2.118 1.00 43.23 C ATOM 986 OD1 ASN A 68 32.972 -1.796 1.887 1.00 60.45 O ATOM 987 ND2 ASN A 68 34.544 -2.615 3.171 1.00 71.02 N ATOM 0 H ASN A 68 36.526 0.034 -0.536 1.00 13.45 H new ATOM 0 HA ASN A 68 34.888 -2.383 -0.459 1.00 61.44 H new ATOM 0 HB2 ASN A 68 36.219 -1.730 1.483 1.00 64.24 H new ATOM 0 HB3 ASN A 68 35.361 -0.206 1.582 1.00 64.24 H new ATOM 0 HD21 ASN A 68 33.843 -3.040 3.777 1.00 71.02 H new ATOM 0 HD22 ASN A 68 35.536 -2.729 3.380 1.00 71.02 H new ATOM 994 N CYS A 69 32.764 -1.303 -1.297 1.00 61.35 N ATOM 995 CA CYS A 69 31.455 -0.830 -1.727 1.00 4.54 C ATOM 996 C CYS A 69 30.512 -2.022 -1.632 1.00 30.04 C ATOM 997 O CYS A 69 30.887 -3.125 -2.039 1.00 25.41 O ATOM 998 CB CYS A 69 31.571 -0.307 -3.170 1.00 3.53 C ATOM 999 SG CYS A 69 29.977 -0.146 -4.030 1.00 23.23 S ATOM 0 H CYS A 69 32.958 -2.250 -1.623 1.00 61.35 H new ATOM 0 HA CYS A 69 31.078 -0.014 -1.111 1.00 4.54 H new ATOM 0 HB2 CYS A 69 32.063 0.665 -3.154 1.00 3.53 H new ATOM 0 HB3 CYS A 69 32.212 -0.980 -3.739 1.00 3.53 H new ATOM 0 HG CYS A 69 30.177 0.302 -5.234 1.00 23.23 H new ATOM 1005 N VAL A 70 29.295 -1.805 -1.135 1.00 10.31 N ATOM 1006 CA VAL A 70 28.285 -2.846 -0.992 1.00 63.54 C ATOM 1007 C VAL A 70 27.068 -2.392 -1.800 1.00 72.11 C ATOM 1008 O VAL A 70 26.821 -1.186 -1.922 1.00 24.43 O ATOM 1009 CB VAL A 70 27.998 -3.054 0.519 1.00 51.40 C ATOM 1010 CG1 VAL A 70 26.863 -4.050 0.808 1.00 51.11 C ATOM 1011 CG2 VAL A 70 29.251 -3.528 1.274 1.00 24.02 C ATOM 0 H VAL A 70 28.981 -0.888 -0.817 1.00 10.31 H new ATOM 0 HA VAL A 70 28.603 -3.815 -1.376 1.00 63.54 H new ATOM 0 HB VAL A 70 27.685 -2.071 0.871 1.00 51.40 H new ATOM 0 HG11 VAL A 70 26.724 -4.140 1.885 1.00 51.11 H new ATOM 0 HG12 VAL A 70 25.940 -3.692 0.352 1.00 51.11 H new ATOM 0 HG13 VAL A 70 27.119 -5.024 0.392 1.00 51.11 H new ATOM 0 HG21 VAL A 70 29.011 -3.663 2.329 1.00 24.02 H new ATOM 0 HG22 VAL A 70 29.591 -4.475 0.855 1.00 24.02 H new ATOM 0 HG23 VAL A 70 30.040 -2.783 1.174 1.00 24.02 H new ATOM 1021 N VAL A 71 26.292 -3.336 -2.325 1.00 51.34 N ATOM 1022 CA VAL A 71 25.077 -3.121 -3.103 1.00 11.45 C ATOM 1023 C VAL A 71 24.129 -4.185 -2.547 1.00 13.40 C ATOM 1024 O VAL A 71 24.526 -5.346 -2.404 1.00 3.24 O ATOM 1025 CB VAL A 71 25.348 -3.254 -4.614 1.00 23.41 C ATOM 1026 CG1 VAL A 71 24.081 -2.991 -5.441 1.00 21.22 C ATOM 1027 CG2 VAL A 71 26.454 -2.306 -5.099 1.00 25.25 C ATOM 0 H VAL A 71 26.507 -4.327 -2.212 1.00 51.34 H new ATOM 0 HA VAL A 71 24.657 -2.119 -3.013 1.00 11.45 H new ATOM 0 HB VAL A 71 25.678 -4.282 -4.762 1.00 23.41 H new ATOM 0 HG11 VAL A 71 24.311 -3.094 -6.502 1.00 21.22 H new ATOM 0 HG12 VAL A 71 23.311 -3.711 -5.165 1.00 21.22 H new ATOM 0 HG13 VAL A 71 23.721 -1.981 -5.244 1.00 21.22 H new ATOM 0 HG21 VAL A 71 26.605 -2.441 -6.170 1.00 25.25 H new ATOM 0 HG22 VAL A 71 26.162 -1.275 -4.900 1.00 25.25 H new ATOM 0 HG23 VAL A 71 27.381 -2.529 -4.571 1.00 25.25 H new ATOM 1037 N LEU A 72 22.919 -3.787 -2.158 1.00 71.15 N ATOM 1038 CA LEU A 72 21.916 -4.672 -1.572 1.00 72.34 C ATOM 1039 C LEU A 72 20.570 -4.498 -2.272 1.00 53.10 C ATOM 1040 O LEU A 72 20.204 -3.384 -2.651 1.00 24.01 O ATOM 1041 CB LEU A 72 21.803 -4.282 -0.089 1.00 43.32 C ATOM 1042 CG LEU A 72 20.975 -5.273 0.745 1.00 22.12 C ATOM 1043 CD1 LEU A 72 21.825 -6.470 1.181 1.00 10.44 C ATOM 1044 CD2 LEU A 72 20.448 -4.569 1.989 1.00 42.13 C ATOM 0 H LEU A 72 22.603 -2.821 -2.243 1.00 71.15 H new ATOM 0 HA LEU A 72 22.204 -5.717 -1.685 1.00 72.34 H new ATOM 0 HB2 LEU A 72 22.804 -4.209 0.336 1.00 43.32 H new ATOM 0 HB3 LEU A 72 21.352 -3.292 -0.015 1.00 43.32 H new ATOM 0 HG LEU A 72 20.150 -5.632 0.129 1.00 22.12 H new ATOM 0 HD11 LEU A 72 21.214 -7.155 1.769 1.00 10.44 H new ATOM 0 HD12 LEU A 72 22.204 -6.987 0.300 1.00 10.44 H new ATOM 0 HD13 LEU A 72 22.663 -6.121 1.785 1.00 10.44 H new ATOM 0 HD21 LEU A 72 19.860 -5.270 2.582 1.00 42.13 H new ATOM 0 HD22 LEU A 72 21.286 -4.204 2.583 1.00 42.13 H new ATOM 0 HD23 LEU A 72 19.820 -3.729 1.693 1.00 42.13 H new ATOM 1056 N LYS A 73 19.803 -5.573 -2.444 1.00 74.03 N ATOM 1057 CA LYS A 73 18.497 -5.530 -3.085 1.00 53.14 C ATOM 1058 C LYS A 73 17.501 -6.501 -2.455 1.00 42.04 C ATOM 1059 O LYS A 73 17.883 -7.574 -1.988 1.00 34.33 O ATOM 1060 CB LYS A 73 18.659 -5.666 -4.600 1.00 4.44 C ATOM 1061 CG LYS A 73 18.699 -7.065 -5.219 1.00 62.01 C ATOM 1062 CD LYS A 73 17.327 -7.401 -5.816 1.00 50.30 C ATOM 1063 CE LYS A 73 17.290 -8.754 -6.511 1.00 5.22 C ATOM 1064 NZ LYS A 73 18.148 -8.854 -7.712 1.00 35.11 N ATOM 0 H LYS A 73 20.077 -6.507 -2.138 1.00 74.03 H new ATOM 0 HA LYS A 73 18.043 -4.555 -2.907 1.00 53.14 H new ATOM 0 HB2 LYS A 73 17.839 -5.122 -5.069 1.00 4.44 H new ATOM 0 HB3 LYS A 73 19.581 -5.156 -4.880 1.00 4.44 H new ATOM 0 HG2 LYS A 73 19.465 -7.110 -5.993 1.00 62.01 H new ATOM 0 HG3 LYS A 73 18.968 -7.801 -4.462 1.00 62.01 H new ATOM 0 HD2 LYS A 73 16.580 -7.387 -5.023 1.00 50.30 H new ATOM 0 HD3 LYS A 73 17.049 -6.626 -6.530 1.00 50.30 H new ATOM 0 HE2 LYS A 73 17.593 -9.522 -5.799 1.00 5.22 H new ATOM 0 HE3 LYS A 73 16.261 -8.973 -6.797 1.00 5.22 H new ATOM 0 HZ1 LYS A 73 18.062 -9.806 -8.122 1.00 35.11 H new ATOM 0 HZ2 LYS A 73 17.847 -8.147 -8.413 1.00 35.11 H new ATOM 0 HZ3 LYS A 73 19.138 -8.679 -7.447 1.00 35.11 H new ATOM 1078 N HIS A 74 16.237 -6.089 -2.390 1.00 41.21 N ATOM 1079 CA HIS A 74 15.142 -6.882 -1.836 1.00 24.00 C ATOM 1080 C HIS A 74 14.647 -7.739 -2.987 1.00 74.03 C ATOM 1081 O HIS A 74 14.276 -7.177 -4.014 1.00 73.41 O ATOM 1082 CB HIS A 74 14.019 -5.956 -1.330 1.00 63.32 C ATOM 1083 CG HIS A 74 13.176 -6.508 -0.211 1.00 20.04 C ATOM 1084 ND1 HIS A 74 11.802 -6.640 -0.195 1.00 21.24 N ATOM 1085 CD2 HIS A 74 13.624 -6.740 1.061 1.00 44.05 C ATOM 1086 CE1 HIS A 74 11.442 -6.967 1.062 1.00 24.43 C ATOM 1087 NE2 HIS A 74 12.519 -7.035 1.859 1.00 43.01 N ATOM 0 H HIS A 74 15.939 -5.174 -2.729 1.00 41.21 H new ATOM 0 HA HIS A 74 15.462 -7.488 -0.989 1.00 24.00 H new ATOM 0 HB2 HIS A 74 14.467 -5.020 -0.996 1.00 63.32 H new ATOM 0 HB3 HIS A 74 13.366 -5.715 -2.169 1.00 63.32 H new ATOM 0 HD2 HIS A 74 14.652 -6.701 1.389 1.00 44.05 H new ATOM 0 HE1 HIS A 74 10.427 -7.149 1.383 1.00 24.43 H new ATOM 0 HE2 HIS A 74 12.528 -7.259 2.854 1.00 43.01 H new ATOM 1095 N VAL A 75 14.666 -9.060 -2.875 1.00 53.13 N ATOM 1096 CA VAL A 75 14.209 -9.939 -3.946 1.00 10.03 C ATOM 1097 C VAL A 75 12.725 -9.721 -4.280 1.00 35.32 C ATOM 1098 O VAL A 75 12.434 -9.376 -5.422 1.00 35.41 O ATOM 1099 CB VAL A 75 14.532 -11.394 -3.571 1.00 0.42 C ATOM 1100 CG1 VAL A 75 13.658 -12.412 -4.310 1.00 10.12 C ATOM 1101 CG2 VAL A 75 16.018 -11.688 -3.811 1.00 15.21 C ATOM 0 H VAL A 75 14.996 -9.552 -2.045 1.00 53.13 H new ATOM 0 HA VAL A 75 14.743 -9.695 -4.864 1.00 10.03 H new ATOM 0 HB VAL A 75 14.306 -11.503 -2.510 1.00 0.42 H new ATOM 0 HG11 VAL A 75 13.935 -13.420 -4.002 1.00 10.12 H new ATOM 0 HG12 VAL A 75 12.610 -12.234 -4.070 1.00 10.12 H new ATOM 0 HG13 VAL A 75 13.807 -12.307 -5.385 1.00 10.12 H new ATOM 0 HG21 VAL A 75 16.233 -12.722 -3.541 1.00 15.21 H new ATOM 0 HG22 VAL A 75 16.255 -11.531 -4.863 1.00 15.21 H new ATOM 0 HG23 VAL A 75 16.624 -11.020 -3.199 1.00 15.21 H new ATOM 1111 N PRO A 76 11.769 -9.861 -3.339 1.00 24.32 N ATOM 1112 CA PRO A 76 10.353 -9.692 -3.655 1.00 44.43 C ATOM 1113 C PRO A 76 9.978 -8.322 -4.211 1.00 54.32 C ATOM 1114 O PRO A 76 9.103 -8.224 -5.070 1.00 23.23 O ATOM 1115 CB PRO A 76 9.605 -10.008 -2.360 1.00 31.24 C ATOM 1116 CG PRO A 76 10.646 -9.826 -1.264 1.00 14.53 C ATOM 1117 CD PRO A 76 11.928 -10.266 -1.947 1.00 41.12 C ATOM 0 HA PRO A 76 10.080 -10.363 -4.470 1.00 44.43 H new ATOM 0 HB2 PRO A 76 8.757 -9.338 -2.218 1.00 31.24 H new ATOM 0 HB3 PRO A 76 9.210 -11.024 -2.368 1.00 31.24 H new ATOM 0 HG2 PRO A 76 10.702 -8.791 -0.926 1.00 14.53 H new ATOM 0 HG3 PRO A 76 10.423 -10.436 -0.388 1.00 14.53 H new ATOM 0 HD2 PRO A 76 12.799 -9.792 -1.495 1.00 41.12 H new ATOM 0 HD3 PRO A 76 12.071 -11.343 -1.863 1.00 41.12 H new ATOM 1125 N SER A 77 10.648 -7.266 -3.753 1.00 34.53 N ATOM 1126 CA SER A 77 10.344 -5.910 -4.209 1.00 14.34 C ATOM 1127 C SER A 77 11.209 -5.453 -5.380 1.00 41.35 C ATOM 1128 O SER A 77 10.879 -4.465 -6.030 1.00 74.03 O ATOM 1129 CB SER A 77 10.432 -4.937 -3.030 1.00 13.13 C ATOM 1130 OG SER A 77 9.771 -5.486 -1.903 1.00 33.13 O ATOM 0 H SER A 77 11.402 -7.322 -3.069 1.00 34.53 H new ATOM 0 HA SER A 77 9.324 -5.920 -4.594 1.00 14.34 H new ATOM 0 HB2 SER A 77 11.476 -4.737 -2.789 1.00 13.13 H new ATOM 0 HB3 SER A 77 9.979 -3.983 -3.300 1.00 13.13 H new ATOM 0 HG SER A 77 10.423 -5.944 -1.333 1.00 33.13 H new ATOM 1136 N GLY A 78 12.318 -6.139 -5.648 1.00 63.03 N ATOM 1137 CA GLY A 78 13.268 -5.835 -6.715 1.00 52.43 C ATOM 1138 C GLY A 78 13.981 -4.486 -6.542 1.00 1.14 C ATOM 1139 O GLY A 78 14.700 -4.042 -7.437 1.00 73.41 O ATOM 0 H GLY A 78 12.591 -6.957 -5.104 1.00 63.03 H new ATOM 0 HA2 GLY A 78 14.015 -6.627 -6.761 1.00 52.43 H new ATOM 0 HA3 GLY A 78 12.742 -5.838 -7.670 1.00 52.43 H new ATOM 1143 N ILE A 79 13.784 -3.816 -5.404 1.00 43.14 N ATOM 1144 CA ILE A 79 14.379 -2.529 -5.071 1.00 54.22 C ATOM 1145 C ILE A 79 15.868 -2.771 -4.839 1.00 34.30 C ATOM 1146 O ILE A 79 16.227 -3.565 -3.964 1.00 2.14 O ATOM 1147 CB ILE A 79 13.666 -1.926 -3.839 1.00 55.22 C ATOM 1148 CG1 ILE A 79 12.197 -1.599 -4.197 1.00 12.42 C ATOM 1149 CG2 ILE A 79 14.384 -0.661 -3.348 1.00 71.12 C ATOM 1150 CD1 ILE A 79 11.349 -1.037 -3.051 1.00 22.14 C ATOM 0 H ILE A 79 13.181 -4.173 -4.663 1.00 43.14 H new ATOM 0 HA ILE A 79 14.261 -1.802 -5.874 1.00 54.22 H new ATOM 0 HB ILE A 79 13.690 -2.660 -3.033 1.00 55.22 H new ATOM 0 HG12 ILE A 79 12.192 -0.880 -5.016 1.00 12.42 H new ATOM 0 HG13 ILE A 79 11.721 -2.507 -4.567 1.00 12.42 H new ATOM 0 HG21 ILE A 79 13.860 -0.259 -2.481 1.00 71.12 H new ATOM 0 HG22 ILE A 79 15.409 -0.909 -3.071 1.00 71.12 H new ATOM 0 HG23 ILE A 79 14.394 0.084 -4.144 1.00 71.12 H new ATOM 0 HD11 ILE A 79 10.338 -0.842 -3.408 1.00 22.14 H new ATOM 0 HD12 ILE A 79 11.313 -1.760 -2.236 1.00 22.14 H new ATOM 0 HD13 ILE A 79 11.792 -0.108 -2.692 1.00 22.14 H new ATOM 1162 N VAL A 80 16.730 -2.112 -5.609 1.00 43.01 N ATOM 1163 CA VAL A 80 18.185 -2.207 -5.557 1.00 71.15 C ATOM 1164 C VAL A 80 18.719 -0.872 -5.028 1.00 54.22 C ATOM 1165 O VAL A 80 18.373 0.201 -5.528 1.00 43.53 O ATOM 1166 CB VAL A 80 18.717 -2.558 -6.967 1.00 13.44 C ATOM 1167 CG1 VAL A 80 20.247 -2.516 -7.027 1.00 63.24 C ATOM 1168 CG2 VAL A 80 18.289 -3.958 -7.462 1.00 44.14 C ATOM 0 H VAL A 80 16.413 -1.460 -6.327 1.00 43.01 H new ATOM 0 HA VAL A 80 18.524 -2.997 -4.887 1.00 71.15 H new ATOM 0 HB VAL A 80 18.276 -1.797 -7.611 1.00 13.44 H new ATOM 0 HG11 VAL A 80 20.579 -2.769 -8.034 1.00 63.24 H new ATOM 0 HG12 VAL A 80 20.594 -1.515 -6.771 1.00 63.24 H new ATOM 0 HG13 VAL A 80 20.659 -3.235 -6.318 1.00 63.24 H new ATOM 0 HG21 VAL A 80 18.699 -4.133 -8.457 1.00 44.14 H new ATOM 0 HG22 VAL A 80 18.664 -4.717 -6.776 1.00 44.14 H new ATOM 0 HG23 VAL A 80 17.201 -4.012 -7.503 1.00 44.14 H new ATOM 1178 N VAL A 81 19.570 -0.918 -4.003 1.00 60.45 N ATOM 1179 CA VAL A 81 20.158 0.259 -3.397 1.00 30.33 C ATOM 1180 C VAL A 81 21.612 -0.047 -3.092 1.00 35.42 C ATOM 1181 O VAL A 81 22.049 -1.191 -2.949 1.00 14.54 O ATOM 1182 CB VAL A 81 19.332 0.742 -2.179 1.00 53.35 C ATOM 1183 CG1 VAL A 81 19.688 0.060 -0.847 1.00 52.25 C ATOM 1184 CG2 VAL A 81 19.483 2.260 -1.978 1.00 10.53 C ATOM 0 H VAL A 81 19.870 -1.791 -3.570 1.00 60.45 H new ATOM 0 HA VAL A 81 20.135 1.106 -4.083 1.00 30.33 H new ATOM 0 HB VAL A 81 18.307 0.467 -2.429 1.00 53.35 H new ATOM 0 HG11 VAL A 81 19.059 0.462 -0.053 1.00 52.25 H new ATOM 0 HG12 VAL A 81 19.523 -1.014 -0.932 1.00 52.25 H new ATOM 0 HG13 VAL A 81 20.735 0.248 -0.610 1.00 52.25 H new ATOM 0 HG21 VAL A 81 18.893 2.573 -1.117 1.00 10.53 H new ATOM 0 HG22 VAL A 81 20.532 2.502 -1.807 1.00 10.53 H new ATOM 0 HG23 VAL A 81 19.131 2.782 -2.868 1.00 10.53 H new ATOM 1194 N LYS A 82 22.390 1.009 -2.971 1.00 44.21 N ATOM 1195 CA LYS A 82 23.800 0.949 -2.679 1.00 35.11 C ATOM 1196 C LYS A 82 24.050 2.101 -1.739 1.00 24.02 C ATOM 1197 O LYS A 82 23.459 3.174 -1.869 1.00 21.52 O ATOM 1198 CB LYS A 82 24.615 1.014 -3.979 1.00 44.13 C ATOM 1199 CG LYS A 82 24.076 2.046 -4.972 1.00 3.01 C ATOM 1200 CD LYS A 82 24.972 2.230 -6.193 1.00 24.34 C ATOM 1201 CE LYS A 82 24.260 3.151 -7.184 1.00 63.24 C ATOM 1202 NZ LYS A 82 24.029 4.493 -6.613 1.00 42.42 N ATOM 0 H LYS A 82 22.043 1.962 -3.077 1.00 44.21 H new ATOM 0 HA LYS A 82 24.110 0.015 -2.210 1.00 35.11 H new ATOM 0 HB2 LYS A 82 25.651 1.254 -3.740 1.00 44.13 H new ATOM 0 HB3 LYS A 82 24.616 0.031 -4.450 1.00 44.13 H new ATOM 0 HG2 LYS A 82 23.083 1.740 -5.301 1.00 3.01 H new ATOM 0 HG3 LYS A 82 23.963 3.004 -4.465 1.00 3.01 H new ATOM 0 HD2 LYS A 82 25.930 2.659 -5.899 1.00 24.34 H new ATOM 0 HD3 LYS A 82 25.183 1.266 -6.656 1.00 24.34 H new ATOM 0 HE2 LYS A 82 24.857 3.240 -8.092 1.00 63.24 H new ATOM 0 HE3 LYS A 82 23.306 2.709 -7.471 1.00 63.24 H new ATOM 0 HZ1 LYS A 82 23.783 5.157 -7.375 1.00 42.42 H new ATOM 0 HZ2 LYS A 82 23.248 4.449 -5.927 1.00 42.42 H new ATOM 0 HZ3 LYS A 82 24.892 4.820 -6.134 1.00 42.42 H new ATOM 1216 N CYS A 83 24.877 1.851 -0.747 1.00 61.22 N ATOM 1217 CA CYS A 83 25.254 2.809 0.260 1.00 32.42 C ATOM 1218 C CYS A 83 26.749 2.622 0.487 1.00 20.13 C ATOM 1219 O CYS A 83 27.348 1.624 0.066 1.00 34.12 O ATOM 1220 CB CYS A 83 24.408 2.530 1.511 1.00 22.21 C ATOM 1221 SG CYS A 83 24.512 3.886 2.707 1.00 23.40 S ATOM 0 H CYS A 83 25.319 0.941 -0.618 1.00 61.22 H new ATOM 0 HA CYS A 83 25.074 3.846 -0.023 1.00 32.42 H new ATOM 0 HB2 CYS A 83 23.368 2.380 1.221 1.00 22.21 H new ATOM 0 HB3 CYS A 83 24.745 1.605 1.979 1.00 22.21 H new ATOM 0 HG CYS A 83 23.497 3.829 3.517 1.00 23.40 H new ATOM 1227 N HIS A 84 27.353 3.610 1.115 1.00 44.03 N ATOM 1228 CA HIS A 84 28.753 3.671 1.463 1.00 52.24 C ATOM 1229 C HIS A 84 28.818 4.616 2.653 1.00 23.13 C ATOM 1230 O HIS A 84 27.971 5.511 2.786 1.00 23.24 O ATOM 1231 CB HIS A 84 29.580 4.199 0.285 1.00 35.21 C ATOM 1232 CG HIS A 84 29.017 5.438 -0.359 1.00 41.13 C ATOM 1233 ND1 HIS A 84 29.389 6.734 -0.080 1.00 33.24 N ATOM 1234 CD2 HIS A 84 28.038 5.474 -1.314 1.00 31.51 C ATOM 1235 CE1 HIS A 84 28.634 7.538 -0.847 1.00 21.35 C ATOM 1236 NE2 HIS A 84 27.814 6.814 -1.627 1.00 24.44 N ATOM 0 H HIS A 84 26.845 4.443 1.413 1.00 44.03 H new ATOM 0 HA HIS A 84 29.164 2.691 1.704 1.00 52.24 H new ATOM 0 HB2 HIS A 84 30.591 4.411 0.632 1.00 35.21 H new ATOM 0 HB3 HIS A 84 29.659 3.416 -0.469 1.00 35.21 H new ATOM 0 HD2 HIS A 84 27.533 4.623 -1.745 1.00 31.51 H new ATOM 0 HE1 HIS A 84 28.680 8.617 -0.838 1.00 21.35 H new ATOM 0 HE2 HIS A 84 27.154 7.175 -2.316 1.00 24.44 H new ATOM 1244 N GLN A 85 29.782 4.390 3.537 1.00 33.13 N ATOM 1245 CA GLN A 85 29.969 5.214 4.717 1.00 53.45 C ATOM 1246 C GLN A 85 31.270 4.850 5.408 1.00 22.25 C ATOM 1247 O GLN A 85 31.994 5.748 5.832 1.00 72.32 O ATOM 1248 CB GLN A 85 28.808 5.004 5.714 1.00 20.31 C ATOM 1249 CG GLN A 85 28.861 5.988 6.891 1.00 21.34 C ATOM 1250 CD GLN A 85 27.724 5.748 7.880 1.00 23.04 C ATOM 1251 OE1 GLN A 85 26.562 5.591 7.509 1.00 73.14 O ATOM 1252 NE2 GLN A 85 28.038 5.700 9.164 1.00 62.31 N ATOM 0 H GLN A 85 30.455 3.628 3.453 1.00 33.13 H new ATOM 0 HA GLN A 85 29.995 6.256 4.399 1.00 53.45 H new ATOM 0 HB2 GLN A 85 27.859 5.118 5.191 1.00 20.31 H new ATOM 0 HB3 GLN A 85 28.841 3.983 6.096 1.00 20.31 H new ATOM 0 HG2 GLN A 85 29.817 5.889 7.405 1.00 21.34 H new ATOM 0 HG3 GLN A 85 28.806 7.009 6.514 1.00 21.34 H new ATOM 0 HE21 GLN A 85 29.006 5.832 9.458 1.00 62.31 H new ATOM 0 HE22 GLN A 85 27.312 5.531 9.861 1.00 62.31 H new ATOM 1261 N THR A 86 31.594 3.558 5.488 1.00 24.22 N ATOM 1262 CA THR A 86 32.787 3.092 6.176 1.00 11.21 C ATOM 1263 C THR A 86 33.648 2.187 5.300 1.00 13.32 C ATOM 1264 O THR A 86 33.333 1.932 4.132 1.00 55.10 O ATOM 1265 CB THR A 86 32.324 2.397 7.473 1.00 72.52 C ATOM 1266 OG1 THR A 86 31.788 1.110 7.227 1.00 41.22 O ATOM 1267 CG2 THR A 86 31.292 3.212 8.263 1.00 44.23 C ATOM 0 H THR A 86 31.034 2.811 5.077 1.00 24.22 H new ATOM 0 HA THR A 86 33.435 3.935 6.417 1.00 11.21 H new ATOM 0 HB THR A 86 33.229 2.309 8.075 1.00 72.52 H new ATOM 0 HG1 THR A 86 31.298 1.116 6.378 1.00 41.22 H new ATOM 0 HG21 THR A 86 31.009 2.666 9.163 1.00 44.23 H new ATOM 0 HG22 THR A 86 31.724 4.173 8.542 1.00 44.23 H new ATOM 0 HG23 THR A 86 30.409 3.377 7.646 1.00 44.23 H new ATOM 1275 N ARG A 87 34.736 1.674 5.876 1.00 11.44 N ATOM 1276 CA ARG A 87 35.667 0.770 5.204 1.00 72.23 C ATOM 1277 C ARG A 87 35.460 -0.677 5.671 1.00 63.41 C ATOM 1278 O ARG A 87 36.183 -1.561 5.214 1.00 23.35 O ATOM 1279 CB ARG A 87 37.090 1.280 5.406 1.00 71.43 C ATOM 1280 CG ARG A 87 37.271 2.542 4.540 1.00 51.02 C ATOM 1281 CD ARG A 87 38.511 3.325 4.949 1.00 75.25 C ATOM 1282 NE ARG A 87 38.403 3.824 6.334 1.00 41.13 N ATOM 1283 CZ ARG A 87 37.556 4.773 6.762 1.00 24.22 C ATOM 1284 NH1 ARG A 87 36.941 5.589 5.918 1.00 42.44 N ATOM 1285 NH2 ARG A 87 37.301 4.902 8.056 1.00 53.53 N ATOM 0 H ARG A 87 34.999 1.880 6.840 1.00 11.44 H new ATOM 0 HA ARG A 87 35.474 0.758 4.131 1.00 72.23 H new ATOM 0 HB2 ARG A 87 37.267 1.510 6.457 1.00 71.43 H new ATOM 0 HB3 ARG A 87 37.813 0.515 5.121 1.00 71.43 H new ATOM 0 HG2 ARG A 87 37.349 2.257 3.491 1.00 51.02 H new ATOM 0 HG3 ARG A 87 36.391 3.178 4.633 1.00 51.02 H new ATOM 0 HD2 ARG A 87 39.391 2.688 4.858 1.00 75.25 H new ATOM 0 HD3 ARG A 87 38.653 4.165 4.269 1.00 75.25 H new ATOM 0 HE ARG A 87 39.027 3.411 7.027 1.00 41.13 H new ATOM 0 HH11 ARG A 87 37.106 5.505 4.915 1.00 42.44 H new ATOM 0 HH12 ARG A 87 36.302 6.301 6.271 1.00 42.44 H new ATOM 0 HH21 ARG A 87 37.749 4.279 8.729 1.00 53.53 H new ATOM 0 HH22 ARG A 87 36.657 5.624 8.379 1.00 53.53 H new ATOM 1299 N SER A 88 34.520 -0.938 6.587 1.00 11.10 N ATOM 1300 CA SER A 88 34.224 -2.269 7.095 1.00 64.43 C ATOM 1301 C SER A 88 33.010 -2.794 6.336 1.00 70.44 C ATOM 1302 O SER A 88 31.924 -2.229 6.463 1.00 73.11 O ATOM 1303 CB SER A 88 33.928 -2.187 8.594 1.00 73.32 C ATOM 1304 OG SER A 88 35.126 -2.043 9.338 1.00 31.30 O ATOM 0 H SER A 88 33.936 -0.211 7.000 1.00 11.10 H new ATOM 0 HA SER A 88 35.070 -2.941 6.952 1.00 64.43 H new ATOM 0 HB2 SER A 88 33.268 -1.343 8.793 1.00 73.32 H new ATOM 0 HB3 SER A 88 33.402 -3.086 8.915 1.00 73.32 H new ATOM 0 HG SER A 88 34.914 -1.991 10.293 1.00 31.30 H new ATOM 1310 N VAL A 89 33.176 -3.870 5.558 1.00 32.01 N ATOM 1311 CA VAL A 89 32.087 -4.464 4.780 1.00 32.35 C ATOM 1312 C VAL A 89 30.921 -4.823 5.708 1.00 51.31 C ATOM 1313 O VAL A 89 29.782 -4.466 5.433 1.00 11.21 O ATOM 1314 CB VAL A 89 32.604 -5.646 3.919 1.00 72.23 C ATOM 1315 CG1 VAL A 89 33.295 -6.761 4.721 1.00 2.34 C ATOM 1316 CG2 VAL A 89 31.477 -6.253 3.072 1.00 74.35 C ATOM 0 H VAL A 89 34.069 -4.352 5.451 1.00 32.01 H new ATOM 0 HA VAL A 89 31.698 -3.738 4.065 1.00 32.35 H new ATOM 0 HB VAL A 89 33.364 -5.205 3.274 1.00 72.23 H new ATOM 0 HG11 VAL A 89 33.625 -7.547 4.042 1.00 2.34 H new ATOM 0 HG12 VAL A 89 34.157 -6.350 5.247 1.00 2.34 H new ATOM 0 HG13 VAL A 89 32.593 -7.178 5.444 1.00 2.34 H new ATOM 0 HG21 VAL A 89 31.871 -7.079 2.480 1.00 74.35 H new ATOM 0 HG22 VAL A 89 30.687 -6.621 3.727 1.00 74.35 H new ATOM 0 HG23 VAL A 89 31.071 -5.491 2.407 1.00 74.35 H new ATOM 1326 N ASP A 90 31.212 -5.451 6.846 1.00 43.33 N ATOM 1327 CA ASP A 90 30.230 -5.867 7.844 1.00 10.34 C ATOM 1328 C ASP A 90 29.390 -4.693 8.372 1.00 31.14 C ATOM 1329 O ASP A 90 28.223 -4.855 8.732 1.00 35.14 O ATOM 1330 CB ASP A 90 31.000 -6.551 8.975 1.00 71.43 C ATOM 1331 CG ASP A 90 30.132 -6.733 10.208 1.00 20.33 C ATOM 1332 OD1 ASP A 90 29.234 -7.601 10.169 1.00 24.22 O ATOM 1333 OD2 ASP A 90 30.363 -5.987 11.192 1.00 21.22 O ATOM 0 H ASP A 90 32.168 -5.692 7.106 1.00 43.33 H new ATOM 0 HA ASP A 90 29.514 -6.551 7.389 1.00 10.34 H new ATOM 0 HB2 ASP A 90 31.361 -7.522 8.636 1.00 71.43 H new ATOM 0 HB3 ASP A 90 31.877 -5.957 9.231 1.00 71.43 H new ATOM 1338 N GLN A 91 29.966 -3.493 8.457 1.00 31.12 N ATOM 1339 CA GLN A 91 29.227 -2.331 8.930 1.00 23.35 C ATOM 1340 C GLN A 91 28.416 -1.773 7.758 1.00 13.12 C ATOM 1341 O GLN A 91 27.232 -1.477 7.911 1.00 72.12 O ATOM 1342 CB GLN A 91 30.194 -1.300 9.509 1.00 71.14 C ATOM 1343 CG GLN A 91 29.534 -0.412 10.577 1.00 43.41 C ATOM 1344 CD GLN A 91 30.567 0.250 11.490 1.00 60.12 C ATOM 1345 OE1 GLN A 91 31.075 1.334 11.202 1.00 51.31 O ATOM 1346 NE2 GLN A 91 30.887 -0.363 12.614 1.00 3.32 N ATOM 0 H GLN A 91 30.936 -3.305 8.205 1.00 31.12 H new ATOM 0 HA GLN A 91 28.540 -2.603 9.731 1.00 23.35 H new ATOM 0 HB2 GLN A 91 31.050 -1.814 9.946 1.00 71.14 H new ATOM 0 HB3 GLN A 91 30.576 -0.672 8.704 1.00 71.14 H new ATOM 0 HG2 GLN A 91 28.935 0.357 10.089 1.00 43.41 H new ATOM 0 HG3 GLN A 91 28.852 -1.014 11.178 1.00 43.41 H new ATOM 0 HE21 GLN A 91 30.461 -1.261 12.844 1.00 3.32 H new ATOM 0 HE22 GLN A 91 31.560 0.061 13.252 1.00 3.32 H new ATOM 1355 N ASN A 92 29.032 -1.667 6.575 1.00 5.34 N ATOM 1356 CA ASN A 92 28.381 -1.168 5.367 1.00 65.42 C ATOM 1357 C ASN A 92 27.147 -2.019 5.059 1.00 1.13 C ATOM 1358 O ASN A 92 26.119 -1.480 4.642 1.00 63.22 O ATOM 1359 CB ASN A 92 29.368 -1.134 4.189 1.00 32.30 C ATOM 1360 CG ASN A 92 30.384 0.001 4.289 1.00 31.44 C ATOM 1361 OD1 ASN A 92 30.221 0.969 5.032 1.00 64.34 O ATOM 1362 ND2 ASN A 92 31.474 -0.088 3.554 1.00 12.01 N ATOM 0 H ASN A 92 30.007 -1.929 6.432 1.00 5.34 H new ATOM 0 HA ASN A 92 28.051 -0.142 5.531 1.00 65.42 H new ATOM 0 HB2 ASN A 92 29.899 -2.085 4.140 1.00 32.30 H new ATOM 0 HB3 ASN A 92 28.810 -1.032 3.258 1.00 32.30 H new ATOM 0 HD21 ASN A 92 32.182 0.645 3.601 1.00 12.01 H new ATOM 0 HD22 ASN A 92 31.610 -0.890 2.938 1.00 12.01 H new ATOM 1369 N ARG A 93 27.203 -3.336 5.299 1.00 14.04 N ATOM 1370 CA ARG A 93 26.076 -4.236 5.070 1.00 20.10 C ATOM 1371 C ARG A 93 24.892 -3.803 5.930 1.00 11.03 C ATOM 1372 O ARG A 93 23.809 -3.615 5.375 1.00 21.42 O ATOM 1373 CB ARG A 93 26.429 -5.709 5.372 1.00 52.25 C ATOM 1374 CG ARG A 93 27.249 -6.406 4.268 1.00 4.41 C ATOM 1375 CD ARG A 93 27.368 -7.928 4.457 1.00 44.33 C ATOM 1376 NE ARG A 93 27.860 -8.314 5.792 1.00 55.04 N ATOM 1377 CZ ARG A 93 28.560 -9.406 6.115 1.00 64.12 C ATOM 1378 NH1 ARG A 93 28.973 -10.276 5.202 1.00 34.44 N ATOM 1379 NH2 ARG A 93 28.867 -9.612 7.390 1.00 64.20 N ATOM 0 H ARG A 93 28.035 -3.804 5.658 1.00 14.04 H new ATOM 0 HA ARG A 93 25.817 -4.174 4.013 1.00 20.10 H new ATOM 0 HB2 ARG A 93 26.990 -5.752 6.306 1.00 52.25 H new ATOM 0 HB3 ARG A 93 25.506 -6.267 5.529 1.00 52.25 H new ATOM 0 HG2 ARG A 93 26.787 -6.203 3.302 1.00 4.41 H new ATOM 0 HG3 ARG A 93 28.249 -5.972 4.241 1.00 4.41 H new ATOM 0 HD2 ARG A 93 26.392 -8.385 4.291 1.00 44.33 H new ATOM 0 HD3 ARG A 93 28.041 -8.330 3.699 1.00 44.33 H new ATOM 0 HE ARG A 93 27.641 -7.675 6.556 1.00 55.04 H new ATOM 0 HH11 ARG A 93 28.758 -10.122 4.217 1.00 34.44 H new ATOM 0 HH12 ARG A 93 29.505 -11.099 5.485 1.00 34.44 H new ATOM 0 HH21 ARG A 93 28.569 -8.944 8.101 1.00 64.20 H new ATOM 0 HH22 ARG A 93 29.400 -10.439 7.659 1.00 64.20 H new ATOM 1393 N LYS A 94 25.062 -3.598 7.248 1.00 44.44 N ATOM 1394 CA LYS A 94 23.906 -3.212 8.068 1.00 11.03 C ATOM 1395 C LYS A 94 23.344 -1.846 7.679 1.00 1.12 C ATOM 1396 O LYS A 94 22.130 -1.650 7.698 1.00 45.41 O ATOM 1397 CB LYS A 94 24.179 -3.339 9.577 1.00 24.25 C ATOM 1398 CG LYS A 94 25.312 -2.455 10.128 1.00 30.32 C ATOM 1399 CD LYS A 94 25.067 -2.029 11.578 1.00 21.13 C ATOM 1400 CE LYS A 94 23.958 -0.969 11.630 1.00 51.21 C ATOM 1401 NZ LYS A 94 24.427 0.394 11.304 1.00 35.40 N ATOM 0 H LYS A 94 25.946 -3.688 7.748 1.00 44.44 H new ATOM 0 HA LYS A 94 23.121 -3.935 7.847 1.00 11.03 H new ATOM 0 HB2 LYS A 94 23.262 -3.099 10.115 1.00 24.25 H new ATOM 0 HB3 LYS A 94 24.415 -4.380 9.798 1.00 24.25 H new ATOM 0 HG2 LYS A 94 26.255 -2.998 10.066 1.00 30.32 H new ATOM 0 HG3 LYS A 94 25.413 -1.567 9.503 1.00 30.32 H new ATOM 0 HD2 LYS A 94 24.784 -2.894 12.178 1.00 21.13 H new ATOM 0 HD3 LYS A 94 25.985 -1.629 12.009 1.00 21.13 H new ATOM 0 HE2 LYS A 94 23.167 -1.248 10.934 1.00 51.21 H new ATOM 0 HE3 LYS A 94 23.518 -0.964 12.627 1.00 51.21 H new ATOM 0 HZ1 LYS A 94 23.759 1.092 11.689 1.00 35.40 H new ATOM 0 HZ2 LYS A 94 25.367 0.547 11.722 1.00 35.40 H new ATOM 0 HZ3 LYS A 94 24.485 0.503 10.271 1.00 35.40 H new ATOM 1415 N ILE A 95 24.208 -0.899 7.310 1.00 21.42 N ATOM 1416 CA ILE A 95 23.795 0.444 6.916 1.00 61.03 C ATOM 1417 C ILE A 95 22.918 0.353 5.659 1.00 35.02 C ATOM 1418 O ILE A 95 21.886 1.025 5.574 1.00 2.43 O ATOM 1419 CB ILE A 95 25.045 1.335 6.733 1.00 52.31 C ATOM 1420 CG1 ILE A 95 25.824 1.498 8.063 1.00 51.52 C ATOM 1421 CG2 ILE A 95 24.613 2.726 6.251 1.00 15.23 C ATOM 1422 CD1 ILE A 95 27.262 1.993 7.876 1.00 44.20 C ATOM 0 H ILE A 95 25.217 -1.045 7.277 1.00 21.42 H new ATOM 0 HA ILE A 95 23.190 0.913 7.692 1.00 61.03 H new ATOM 0 HB ILE A 95 25.694 0.854 6.001 1.00 52.31 H new ATOM 0 HG12 ILE A 95 25.288 2.198 8.704 1.00 51.52 H new ATOM 0 HG13 ILE A 95 25.843 0.540 8.583 1.00 51.52 H new ATOM 0 HG21 ILE A 95 25.493 3.356 6.121 1.00 15.23 H new ATOM 0 HG22 ILE A 95 24.089 2.635 5.300 1.00 15.23 H new ATOM 0 HG23 ILE A 95 23.950 3.177 6.989 1.00 15.23 H new ATOM 0 HD11 ILE A 95 27.745 2.083 8.849 1.00 44.20 H new ATOM 0 HD12 ILE A 95 27.814 1.282 7.261 1.00 44.20 H new ATOM 0 HD13 ILE A 95 27.251 2.966 7.385 1.00 44.20 H new ATOM 1434 N ALA A 96 23.310 -0.478 4.688 1.00 53.44 N ATOM 1435 CA ALA A 96 22.560 -0.668 3.455 1.00 74.44 C ATOM 1436 C ALA A 96 21.212 -1.331 3.736 1.00 1.33 C ATOM 1437 O ALA A 96 20.200 -0.986 3.127 1.00 43.13 O ATOM 1438 CB ALA A 96 23.367 -1.549 2.505 1.00 0.51 C ATOM 0 H ALA A 96 24.161 -1.038 4.741 1.00 53.44 H new ATOM 0 HA ALA A 96 22.381 0.307 3.002 1.00 74.44 H new ATOM 0 HB1 ALA A 96 22.809 -1.694 1.580 1.00 0.51 H new ATOM 0 HB2 ALA A 96 24.319 -1.067 2.282 1.00 0.51 H new ATOM 0 HB3 ALA A 96 23.550 -2.516 2.973 1.00 0.51 H new ATOM 1444 N ARG A 97 21.204 -2.275 4.677 1.00 75.14 N ATOM 1445 CA ARG A 97 20.023 -3.020 5.070 1.00 64.00 C ATOM 1446 C ARG A 97 18.909 -2.105 5.541 1.00 24.15 C ATOM 1447 O ARG A 97 17.812 -2.181 4.993 1.00 71.13 O ATOM 1448 CB ARG A 97 20.428 -4.079 6.108 1.00 35.12 C ATOM 1449 CG ARG A 97 19.859 -5.448 5.744 1.00 71.42 C ATOM 1450 CD ARG A 97 18.400 -5.622 6.165 1.00 61.52 C ATOM 1451 NE ARG A 97 18.218 -5.683 7.624 1.00 34.02 N ATOM 1452 CZ ARG A 97 18.548 -6.728 8.392 1.00 32.12 C ATOM 1453 NH1 ARG A 97 19.441 -7.625 7.994 1.00 10.22 N ATOM 1454 NH2 ARG A 97 17.968 -6.921 9.566 1.00 35.53 N ATOM 0 H ARG A 97 22.041 -2.544 5.195 1.00 75.14 H new ATOM 0 HA ARG A 97 19.608 -3.538 4.205 1.00 64.00 H new ATOM 0 HB2 ARG A 97 21.515 -4.137 6.168 1.00 35.12 H new ATOM 0 HB3 ARG A 97 20.070 -3.783 7.094 1.00 35.12 H new ATOM 0 HG2 ARG A 97 19.940 -5.594 4.667 1.00 71.42 H new ATOM 0 HG3 ARG A 97 20.462 -6.223 6.217 1.00 71.42 H new ATOM 0 HD2 ARG A 97 17.813 -4.794 5.767 1.00 61.52 H new ATOM 0 HD3 ARG A 97 18.007 -6.535 5.718 1.00 61.52 H new ATOM 0 HE ARG A 97 17.810 -4.869 8.084 1.00 34.02 H new ATOM 0 HH11 ARG A 97 19.893 -7.526 7.085 1.00 10.22 H new ATOM 0 HH12 ARG A 97 19.676 -8.413 8.597 1.00 10.22 H new ATOM 0 HH21 ARG A 97 17.258 -6.268 9.898 1.00 35.53 H new ATOM 0 HH22 ARG A 97 18.231 -7.723 10.139 1.00 35.53 H new ATOM 1468 N LYS A 98 19.188 -1.212 6.494 1.00 1.51 N ATOM 1469 CA LYS A 98 18.136 -0.326 6.973 1.00 45.22 C ATOM 1470 C LYS A 98 17.624 0.613 5.887 1.00 32.40 C ATOM 1471 O LYS A 98 16.414 0.773 5.779 1.00 60.13 O ATOM 1472 CB LYS A 98 18.508 0.362 8.294 1.00 62.34 C ATOM 1473 CG LYS A 98 19.772 1.228 8.345 1.00 22.23 C ATOM 1474 CD LYS A 98 19.541 2.695 7.948 1.00 55.25 C ATOM 1475 CE LYS A 98 20.828 3.508 8.110 1.00 32.43 C ATOM 1476 NZ LYS A 98 21.195 3.694 9.528 1.00 1.24 N ATOM 0 H LYS A 98 20.100 -1.088 6.933 1.00 1.51 H new ATOM 0 HA LYS A 98 17.277 -0.949 7.220 1.00 45.22 H new ATOM 0 HB2 LYS A 98 17.666 0.989 8.588 1.00 62.34 H new ATOM 0 HB3 LYS A 98 18.608 -0.414 9.053 1.00 62.34 H new ATOM 0 HG2 LYS A 98 20.182 1.196 9.355 1.00 22.23 H new ATOM 0 HG3 LYS A 98 20.522 0.797 7.682 1.00 22.23 H new ATOM 0 HD2 LYS A 98 19.199 2.748 6.914 1.00 55.25 H new ATOM 0 HD3 LYS A 98 18.753 3.125 8.567 1.00 55.25 H new ATOM 0 HE2 LYS A 98 21.642 3.004 7.589 1.00 32.43 H new ATOM 0 HE3 LYS A 98 20.702 4.482 7.638 1.00 32.43 H new ATOM 0 HZ1 LYS A 98 21.945 4.410 9.601 1.00 1.24 H new ATOM 0 HZ2 LYS A 98 20.361 4.010 10.064 1.00 1.24 H new ATOM 0 HZ3 LYS A 98 21.537 2.793 9.919 1.00 1.24 H new ATOM 1490 N VAL A 99 18.484 1.186 5.033 1.00 71.15 N ATOM 1491 CA VAL A 99 17.981 2.097 3.999 1.00 23.24 C ATOM 1492 C VAL A 99 17.082 1.363 2.996 1.00 24.00 C ATOM 1493 O VAL A 99 16.138 1.950 2.478 1.00 62.40 O ATOM 1494 CB VAL A 99 19.115 2.926 3.370 1.00 21.11 C ATOM 1495 CG1 VAL A 99 20.136 2.131 2.560 1.00 42.14 C ATOM 1496 CG2 VAL A 99 18.545 4.052 2.499 1.00 13.10 C ATOM 0 H VAL A 99 19.494 1.042 5.035 1.00 71.15 H new ATOM 0 HA VAL A 99 17.331 2.835 4.470 1.00 23.24 H new ATOM 0 HB VAL A 99 19.659 3.329 4.224 1.00 21.11 H new ATOM 0 HG11 VAL A 99 20.891 2.808 2.161 1.00 42.14 H new ATOM 0 HG12 VAL A 99 20.615 1.392 3.203 1.00 42.14 H new ATOM 0 HG13 VAL A 99 19.632 1.624 1.737 1.00 42.14 H new ATOM 0 HG21 VAL A 99 19.364 4.626 2.064 1.00 13.10 H new ATOM 0 HG22 VAL A 99 17.938 3.623 1.701 1.00 13.10 H new ATOM 0 HG23 VAL A 99 17.927 4.709 3.112 1.00 13.10 H new ATOM 1506 N LEU A 100 17.347 0.084 2.717 1.00 1.40 N ATOM 1507 CA LEU A 100 16.517 -0.693 1.797 1.00 72.23 C ATOM 1508 C LEU A 100 15.092 -0.797 2.358 1.00 3.45 C ATOM 1509 O LEU A 100 14.127 -0.660 1.608 1.00 33.34 O ATOM 1510 CB LEU A 100 17.157 -2.070 1.539 1.00 63.42 C ATOM 1511 CG LEU A 100 16.200 -3.137 0.970 1.00 54.21 C ATOM 1512 CD1 LEU A 100 15.468 -2.691 -0.307 1.00 30.52 C ATOM 1513 CD2 LEU A 100 17.001 -4.424 0.722 1.00 75.10 C ATOM 0 H LEU A 100 18.130 -0.434 3.116 1.00 1.40 H new ATOM 0 HA LEU A 100 16.453 -0.191 0.832 1.00 72.23 H new ATOM 0 HB2 LEU A 100 17.989 -1.943 0.846 1.00 63.42 H new ATOM 0 HB3 LEU A 100 17.575 -2.441 2.475 1.00 63.42 H new ATOM 0 HG LEU A 100 15.414 -3.307 1.705 1.00 54.21 H new ATOM 0 HD11 LEU A 100 14.813 -3.492 -0.649 1.00 30.52 H new ATOM 0 HD12 LEU A 100 14.874 -1.802 -0.094 1.00 30.52 H new ATOM 0 HD13 LEU A 100 16.198 -2.462 -1.084 1.00 30.52 H new ATOM 0 HD21 LEU A 100 16.340 -5.192 0.319 1.00 75.10 H new ATOM 0 HD22 LEU A 100 17.801 -4.223 0.010 1.00 75.10 H new ATOM 0 HD23 LEU A 100 17.431 -4.772 1.661 1.00 75.10 H new ATOM 1525 N GLN A 101 14.957 -0.994 3.671 1.00 20.54 N ATOM 1526 CA GLN A 101 13.664 -1.101 4.333 1.00 13.25 C ATOM 1527 C GLN A 101 12.832 0.160 4.071 1.00 22.33 C ATOM 1528 O GLN A 101 11.667 0.081 3.697 1.00 32.12 O ATOM 1529 CB GLN A 101 13.903 -1.348 5.831 1.00 13.54 C ATOM 1530 CG GLN A 101 12.703 -2.031 6.501 1.00 72.34 C ATOM 1531 CD GLN A 101 13.032 -2.646 7.861 1.00 42.30 C ATOM 1532 OE1 GLN A 101 14.187 -2.803 8.253 1.00 4.33 O ATOM 1533 NE2 GLN A 101 12.018 -3.085 8.582 1.00 62.54 N ATOM 0 H GLN A 101 15.750 -1.084 4.306 1.00 20.54 H new ATOM 0 HA GLN A 101 13.093 -1.940 3.935 1.00 13.25 H new ATOM 0 HB2 GLN A 101 14.790 -1.968 5.959 1.00 13.54 H new ATOM 0 HB3 GLN A 101 14.103 -0.398 6.327 1.00 13.54 H new ATOM 0 HG2 GLN A 101 11.903 -1.301 6.625 1.00 72.34 H new ATOM 0 HG3 GLN A 101 12.324 -2.811 5.841 1.00 72.34 H new ATOM 0 HE21 GLN A 101 11.062 -2.952 8.252 1.00 62.54 H new ATOM 0 HE22 GLN A 101 12.190 -3.557 9.470 1.00 62.54 H new ATOM 1542 N GLU A 102 13.463 1.332 4.148 1.00 51.41 N ATOM 1543 CA GLU A 102 12.812 2.625 3.937 1.00 44.33 C ATOM 1544 C GLU A 102 12.216 2.785 2.541 1.00 2.45 C ATOM 1545 O GLU A 102 11.363 3.640 2.295 1.00 71.11 O ATOM 1546 CB GLU A 102 13.801 3.754 4.220 1.00 21.43 C ATOM 1547 CG GLU A 102 14.330 3.646 5.655 1.00 12.14 C ATOM 1548 CD GLU A 102 15.031 4.904 6.152 1.00 45.42 C ATOM 1549 OE1 GLU A 102 15.068 5.929 5.432 1.00 40.20 O ATOM 1550 OE2 GLU A 102 15.616 4.873 7.264 1.00 64.34 O ATOM 0 H GLU A 102 14.457 1.411 4.362 1.00 51.41 H new ATOM 0 HA GLU A 102 11.975 2.672 4.634 1.00 44.33 H new ATOM 0 HB2 GLU A 102 14.630 3.706 3.514 1.00 21.43 H new ATOM 0 HB3 GLU A 102 13.314 4.719 4.075 1.00 21.43 H new ATOM 0 HG2 GLU A 102 13.499 3.418 6.322 1.00 12.14 H new ATOM 0 HG3 GLU A 102 15.025 2.808 5.713 1.00 12.14 H new ATOM 1557 N LYS A 103 12.691 1.989 1.594 1.00 3.22 N ATOM 1558 CA LYS A 103 12.207 2.004 0.220 1.00 50.41 C ATOM 1559 C LYS A 103 11.012 1.065 0.092 1.00 53.44 C ATOM 1560 O LYS A 103 10.067 1.375 -0.640 1.00 12.34 O ATOM 1561 CB LYS A 103 13.346 1.631 -0.723 1.00 3.04 C ATOM 1562 CG LYS A 103 14.464 2.674 -0.653 1.00 73.31 C ATOM 1563 CD LYS A 103 15.534 2.442 -1.724 1.00 34.34 C ATOM 1564 CE LYS A 103 16.366 3.711 -1.933 1.00 22.35 C ATOM 1565 NZ LYS A 103 15.551 4.837 -2.442 1.00 14.43 N ATOM 0 H LYS A 103 13.431 1.307 1.759 1.00 3.22 H new ATOM 0 HA LYS A 103 11.868 3.002 -0.056 1.00 50.41 H new ATOM 0 HB2 LYS A 103 13.739 0.650 -0.457 1.00 3.04 H new ATOM 0 HB3 LYS A 103 12.972 1.559 -1.744 1.00 3.04 H new ATOM 0 HG2 LYS A 103 14.039 3.670 -0.776 1.00 73.31 H new ATOM 0 HG3 LYS A 103 14.926 2.644 0.334 1.00 73.31 H new ATOM 0 HD2 LYS A 103 16.183 1.619 -1.426 1.00 34.34 H new ATOM 0 HD3 LYS A 103 15.061 2.151 -2.662 1.00 34.34 H new ATOM 0 HE2 LYS A 103 16.830 3.998 -0.990 1.00 22.35 H new ATOM 0 HE3 LYS A 103 17.173 3.503 -2.635 1.00 22.35 H new ATOM 0 HZ1 LYS A 103 16.159 5.494 -2.971 1.00 14.43 H new ATOM 0 HZ2 LYS A 103 14.807 4.471 -3.070 1.00 14.43 H new ATOM 0 HZ3 LYS A 103 15.113 5.338 -1.643 1.00 14.43 H new ATOM 1579 N VAL A 104 11.060 -0.085 0.770 1.00 70.13 N ATOM 1580 CA VAL A 104 9.982 -1.068 0.765 1.00 45.51 C ATOM 1581 C VAL A 104 8.770 -0.464 1.485 1.00 45.22 C ATOM 1582 O VAL A 104 7.652 -0.691 1.033 1.00 54.32 O ATOM 1583 CB VAL A 104 10.490 -2.406 1.339 1.00 4.11 C ATOM 1584 CG1 VAL A 104 9.385 -3.432 1.608 1.00 34.24 C ATOM 1585 CG2 VAL A 104 11.444 -3.025 0.304 1.00 14.51 C ATOM 0 H VAL A 104 11.858 -0.359 1.343 1.00 70.13 H new ATOM 0 HA VAL A 104 9.650 -1.307 -0.245 1.00 45.51 H new ATOM 0 HB VAL A 104 10.963 -2.181 2.295 1.00 4.11 H new ATOM 0 HG11 VAL A 104 9.826 -4.344 2.010 1.00 34.24 H new ATOM 0 HG12 VAL A 104 8.676 -3.023 2.328 1.00 34.24 H new ATOM 0 HG13 VAL A 104 8.866 -3.660 0.677 1.00 34.24 H new ATOM 0 HG21 VAL A 104 11.822 -3.975 0.680 1.00 14.51 H new ATOM 0 HG22 VAL A 104 10.908 -3.192 -0.630 1.00 14.51 H new ATOM 0 HG23 VAL A 104 12.279 -2.347 0.127 1.00 14.51 H new ATOM 1595 N ASP A 105 8.982 0.399 2.487 1.00 45.32 N ATOM 1596 CA ASP A 105 7.932 1.083 3.246 1.00 24.45 C ATOM 1597 C ASP A 105 7.010 1.773 2.259 1.00 31.30 C ATOM 1598 O ASP A 105 5.803 1.520 2.225 1.00 72.25 O ATOM 1599 CB ASP A 105 8.514 2.169 4.168 1.00 64.35 C ATOM 1600 CG ASP A 105 9.318 1.677 5.358 1.00 5.34 C ATOM 1601 OD1 ASP A 105 9.214 0.477 5.696 1.00 43.12 O ATOM 1602 OD2 ASP A 105 10.022 2.538 5.932 1.00 15.12 O ATOM 0 H ASP A 105 9.920 0.647 2.800 1.00 45.32 H new ATOM 0 HA ASP A 105 7.412 0.343 3.854 1.00 24.45 H new ATOM 0 HB2 ASP A 105 9.151 2.821 3.570 1.00 64.35 H new ATOM 0 HB3 ASP A 105 7.691 2.780 4.539 1.00 64.35 H new ATOM 1607 N VAL A 106 7.593 2.650 1.440 1.00 64.02 N ATOM 1608 CA VAL A 106 6.895 3.419 0.428 1.00 4.13 C ATOM 1609 C VAL A 106 6.239 2.466 -0.570 1.00 60.31 C ATOM 1610 O VAL A 106 5.117 2.736 -0.982 1.00 62.23 O ATOM 1611 CB VAL A 106 7.844 4.444 -0.224 1.00 74.25 C ATOM 1612 CG1 VAL A 106 7.054 5.385 -1.143 1.00 53.32 C ATOM 1613 CG2 VAL A 106 8.553 5.303 0.838 1.00 50.20 C ATOM 0 H VAL A 106 8.594 2.845 1.470 1.00 64.02 H new ATOM 0 HA VAL A 106 6.095 4.005 0.881 1.00 4.13 H new ATOM 0 HB VAL A 106 8.585 3.883 -0.793 1.00 74.25 H new ATOM 0 HG11 VAL A 106 7.734 6.105 -1.598 1.00 53.32 H new ATOM 0 HG12 VAL A 106 6.564 4.804 -1.925 1.00 53.32 H new ATOM 0 HG13 VAL A 106 6.301 5.916 -0.560 1.00 53.32 H new ATOM 0 HG21 VAL A 106 9.215 6.016 0.347 1.00 50.20 H new ATOM 0 HG22 VAL A 106 7.810 5.843 1.425 1.00 50.20 H new ATOM 0 HG23 VAL A 106 9.137 4.659 1.496 1.00 50.20 H new ATOM 1623 N PHE A 107 6.878 1.355 -0.949 1.00 71.32 N ATOM 1624 CA PHE A 107 6.266 0.419 -1.888 1.00 74.24 C ATOM 1625 C PHE A 107 4.980 -0.179 -1.290 1.00 31.42 C ATOM 1626 O PHE A 107 3.994 -0.363 -1.997 1.00 33.54 O ATOM 1627 CB PHE A 107 7.262 -0.683 -2.286 1.00 0.13 C ATOM 1628 CG PHE A 107 6.843 -1.455 -3.528 1.00 43.21 C ATOM 1629 CD1 PHE A 107 5.813 -2.414 -3.460 1.00 21.55 C ATOM 1630 CD2 PHE A 107 7.448 -1.177 -4.768 1.00 54.12 C ATOM 1631 CE1 PHE A 107 5.351 -3.044 -4.627 1.00 33.54 C ATOM 1632 CE2 PHE A 107 7.006 -1.830 -5.932 1.00 63.32 C ATOM 1633 CZ PHE A 107 5.943 -2.747 -5.867 1.00 64.44 C ATOM 0 H PHE A 107 7.807 1.087 -0.623 1.00 71.32 H new ATOM 0 HA PHE A 107 5.995 0.963 -2.793 1.00 74.24 H new ATOM 0 HB2 PHE A 107 8.240 -0.234 -2.459 1.00 0.13 H new ATOM 0 HB3 PHE A 107 7.374 -1.379 -1.455 1.00 0.13 H new ATOM 0 HD1 PHE A 107 5.376 -2.666 -2.505 1.00 21.55 H new ATOM 0 HD2 PHE A 107 8.254 -0.460 -4.826 1.00 54.12 H new ATOM 0 HE1 PHE A 107 4.541 -3.756 -4.572 1.00 33.54 H new ATOM 0 HE2 PHE A 107 7.485 -1.626 -6.879 1.00 63.32 H new ATOM 0 HZ PHE A 107 5.582 -3.222 -6.767 1.00 64.44 H new ATOM 1643 N TYR A 108 4.957 -0.451 0.014 1.00 73.25 N ATOM 1644 CA TYR A 108 3.806 -1.037 0.688 1.00 4.33 C ATOM 1645 C TYR A 108 2.665 -0.048 0.924 1.00 12.03 C ATOM 1646 O TYR A 108 1.511 -0.463 0.854 1.00 72.23 O ATOM 1647 CB TYR A 108 4.249 -1.651 2.025 1.00 12.11 C ATOM 1648 CG TYR A 108 4.817 -3.062 1.966 1.00 30.21 C ATOM 1649 CD1 TYR A 108 5.759 -3.425 0.985 1.00 5.20 C ATOM 1650 CD2 TYR A 108 4.412 -4.021 2.916 1.00 42.41 C ATOM 1651 CE1 TYR A 108 6.274 -4.730 0.938 1.00 64.21 C ATOM 1652 CE2 TYR A 108 4.930 -5.329 2.885 1.00 62.12 C ATOM 1653 CZ TYR A 108 5.869 -5.684 1.892 1.00 11.41 C ATOM 1654 OH TYR A 108 6.400 -6.936 1.849 1.00 0.55 O ATOM 0 H TYR A 108 5.745 -0.268 0.635 1.00 73.25 H new ATOM 0 HA TYR A 108 3.413 -1.806 0.023 1.00 4.33 H new ATOM 0 HB2 TYR A 108 5.001 -0.998 2.468 1.00 12.11 H new ATOM 0 HB3 TYR A 108 3.393 -1.655 2.700 1.00 12.11 H new ATOM 0 HD1 TYR A 108 6.088 -2.693 0.262 1.00 5.20 H new ATOM 0 HD2 TYR A 108 3.696 -3.749 3.677 1.00 42.41 H new ATOM 0 HE1 TYR A 108 6.982 -5.003 0.169 1.00 64.21 H new ATOM 0 HE2 TYR A 108 4.611 -6.057 3.616 1.00 62.12 H new ATOM 0 HH TYR A 108 6.022 -7.477 2.573 1.00 0.55 H new ATOM 1664 N ASN A 109 2.931 1.240 1.174 1.00 42.14 N ATOM 1665 CA ASN A 109 1.860 2.229 1.438 1.00 21.24 C ATOM 1666 C ASN A 109 1.594 3.253 0.334 1.00 44.13 C ATOM 1667 O ASN A 109 0.601 3.980 0.380 1.00 65.22 O ATOM 1668 CB ASN A 109 2.089 2.935 2.778 1.00 2.10 C ATOM 1669 CG ASN A 109 3.112 4.065 2.750 1.00 1.02 C ATOM 1670 OD1 ASN A 109 2.772 5.241 2.682 1.00 43.43 O ATOM 1671 ND2 ASN A 109 4.387 3.740 2.869 1.00 75.35 N ATOM 0 H ASN A 109 3.874 1.628 1.201 1.00 42.14 H new ATOM 0 HA ASN A 109 0.952 1.627 1.471 1.00 21.24 H new ATOM 0 HB2 ASN A 109 1.137 3.337 3.126 1.00 2.10 H new ATOM 0 HB3 ASN A 109 2.410 2.194 3.511 1.00 2.10 H new ATOM 0 HD21 ASN A 109 5.098 4.470 2.905 1.00 75.35 H new ATOM 0 HD22 ASN A 109 4.660 2.759 2.925 1.00 75.35 H new ATOM 1678 N SER A 110 2.454 3.297 -0.667 1.00 63.54 N ATOM 1679 CA SER A 110 2.411 4.201 -1.810 1.00 23.12 C ATOM 1680 C SER A 110 3.000 3.511 -3.054 1.00 11.04 C ATOM 1681 O SER A 110 3.631 4.172 -3.885 1.00 3.54 O ATOM 1682 CB SER A 110 3.204 5.456 -1.400 1.00 73.05 C ATOM 1683 OG SER A 110 3.193 6.458 -2.399 1.00 1.53 O ATOM 0 H SER A 110 3.253 2.664 -0.709 1.00 63.54 H new ATOM 0 HA SER A 110 1.391 4.480 -2.076 1.00 23.12 H new ATOM 0 HB2 SER A 110 2.784 5.862 -0.479 1.00 73.05 H new ATOM 0 HB3 SER A 110 4.235 5.175 -1.184 1.00 73.05 H new ATOM 0 HG SER A 110 3.356 6.049 -3.274 1.00 1.53 H new ATOM 1689 N GLY A 111 2.817 2.196 -3.202 1.00 22.13 N ATOM 1690 CA GLY A 111 3.347 1.417 -4.316 1.00 11.43 C ATOM 1691 C GLY A 111 2.882 1.838 -5.712 1.00 1.32 C ATOM 1692 O GLY A 111 2.023 2.716 -5.860 1.00 15.23 O ATOM 0 H GLY A 111 2.285 1.636 -2.536 1.00 22.13 H new ATOM 0 HA2 GLY A 111 4.435 1.471 -4.286 1.00 11.43 H new ATOM 0 HA3 GLY A 111 3.076 0.372 -4.164 1.00 11.43 H new ATOM 1696 N PRO A 112 3.418 1.182 -6.760 1.00 61.12 N ATOM 1697 CA PRO A 112 3.072 1.450 -8.157 1.00 65.15 C ATOM 1698 C PRO A 112 1.591 1.164 -8.437 1.00 13.12 C ATOM 1699 O PRO A 112 1.039 1.635 -9.433 1.00 75.14 O ATOM 1700 CB PRO A 112 4.013 0.574 -8.990 1.00 4.44 C ATOM 1701 CG PRO A 112 4.408 -0.556 -8.046 1.00 2.32 C ATOM 1702 CD PRO A 112 4.425 0.134 -6.685 1.00 53.45 C ATOM 0 HA PRO A 112 3.200 2.502 -8.412 1.00 65.15 H new ATOM 0 HB2 PRO A 112 3.516 0.192 -9.882 1.00 4.44 H new ATOM 0 HB3 PRO A 112 4.885 1.135 -9.326 1.00 4.44 H new ATOM 0 HG2 PRO A 112 3.691 -1.377 -8.075 1.00 2.32 H new ATOM 0 HG3 PRO A 112 5.382 -0.974 -8.300 1.00 2.32 H new ATOM 0 HD2 PRO A 112 4.197 -0.571 -5.886 1.00 53.45 H new ATOM 0 HD3 PRO A 112 5.409 0.551 -6.470 1.00 53.45 H new ATOM 1710 N SER A 113 0.935 0.409 -7.559 1.00 44.03 N ATOM 1711 CA SER A 113 -0.459 0.045 -7.600 1.00 31.41 C ATOM 1712 C SER A 113 -0.892 0.195 -6.146 1.00 44.23 C ATOM 1713 O SER A 113 -0.545 -0.641 -5.314 1.00 45.41 O ATOM 1714 CB SER A 113 -0.632 -1.368 -8.182 1.00 22.13 C ATOM 1715 OG SER A 113 -1.683 -1.394 -9.130 1.00 50.54 O ATOM 0 H SER A 113 1.407 0.013 -6.746 1.00 44.03 H new ATOM 0 HA SER A 113 -1.077 0.660 -8.254 1.00 31.41 H new ATOM 0 HB2 SER A 113 0.297 -1.689 -8.653 1.00 22.13 H new ATOM 0 HB3 SER A 113 -0.843 -2.074 -7.379 1.00 22.13 H new ATOM 0 HG SER A 113 -1.776 -2.301 -9.490 1.00 50.54 H new ATOM 1721 N SER A 114 -1.514 1.325 -5.822 1.00 51.05 N ATOM 1722 CA SER A 114 -1.994 1.656 -4.486 1.00 41.41 C ATOM 1723 C SER A 114 -3.404 2.272 -4.559 1.00 65.11 C ATOM 1724 O SER A 114 -3.766 3.146 -3.763 1.00 14.13 O ATOM 1725 CB SER A 114 -0.933 2.503 -3.755 1.00 70.42 C ATOM 1726 OG SER A 114 -0.292 3.460 -4.590 1.00 23.34 O ATOM 0 H SER A 114 -1.703 2.058 -6.505 1.00 51.05 H new ATOM 0 HA SER A 114 -2.121 0.760 -3.878 1.00 41.41 H new ATOM 0 HB2 SER A 114 -1.406 3.021 -2.920 1.00 70.42 H new ATOM 0 HB3 SER A 114 -0.179 1.839 -3.332 1.00 70.42 H new ATOM 0 HG SER A 114 0.443 3.030 -5.075 1.00 23.34 H new ATOM 1732 N GLY A 115 -4.186 1.876 -5.567 1.00 53.54 N ATOM 1733 CA GLY A 115 -5.545 2.326 -5.813 1.00 2.20 C ATOM 1734 C GLY A 115 -6.434 2.051 -4.618 1.00 43.14 C ATOM 1735 O GLY A 115 -6.393 0.924 -4.078 1.00 42.40 O ATOM 0 H GLY A 115 -3.867 1.201 -6.262 1.00 53.54 H new ATOM 0 HA2 GLY A 115 -5.544 3.394 -6.032 1.00 2.20 H new ATOM 0 HA3 GLY A 115 -5.945 1.821 -6.692 1.00 2.20 H new TER 1739 GLY A 115